A0A3Q0KT01_SCHMA Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KT01, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 874 aa.

						>A0A3Q0KT01_SCHMA|A0A3Q0KT01
MGNCAGKHVSPPTAEQISNANEMHNQCELSKHVVRTSSQPLDLCDSYKSNSLKVIHEDGLINELGITNEHEKVSSCLTRERFSTGRDLSFGSKSNLSTPKTSLVNVFAGSHCSESLQETVLSSSYHFPRLTLEQMTRDTRVHHSGVRNSANSDYLDNKHSVSPIHWCVSSSKPLDEITMQKLNSPHRSNIHVQSHSHLQQHSSLNIMPFLVGNRYSRSGCASATRSAMESPLTIDSGTHKSDKPYRSSVVVDSNRLKNLEQSGGTISTAATIFMENGSSDHHSSVGGLSTRYLVHQPYFPSSAGSSSRLSLGSVGPCINSKKIYPLTQENSHNSEYYHVAIFDYEAHTSEEVSARKGDQLRVLDLSDSEWWLVEHSGQVGYIPSSYLAQANSVEAEDWYFRSISRKDSERLLLLKGNIRGTFLVRASETTNGALSLSVRDTEQQRGETVKHYKIKQSSETNDVYITTKQVFPDLKSLVIHYSNQADGLCCCLTRPCPRPPPVPTDLSRLTRDQWEISRSSLKLIELLGAGQFGEVWKGKWNETIEVAVKTLKQGTMTKEEFLKEARIMKQLHHPRLVRLYAVVTAEPIYIITELMKNGSLLKYLRDGPGKELGLKPLIDMMAQIASGMAYLEKEHYIHRDLAARNILVGENNSVKVADFGLARIIDSGNETYTAKQGAKFPIKWTAPEAALMGRFTIKSDVWSFGIVIYEIITYGQVPFPSMNNTETLQQVENGYRMPCPINCPNSIYEIMLNTWDAKPECRPTFAFLCNYFEDYFTSAELSYRPADHHHPNNLDENDDLGIFHCHNNTNNHDHHKHKPSQSLLSQDAAILYDQRNTNTNSKRNEHSPSHHFNETSMTTQPLSNSSHICTVQMC
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	39.8	Very low	252 Å²	252	141.2 Å²	141.2	100%	1.241	87%	0.866	S	S	*	*				0	151.8	0	-64.7	178.7	-178.1	0	0	108
2	G	40.6	Very low	40.8	Very low	78 Å²	78	140 Å²	140	80%	0.804	86%	0.863	S	S	*	*			trans	94.2	96.6	178.1	0	0	0	0	0	113.7
3	N	35.8	Very low	40.4	Very low	164 Å²	164	139.2 Å²	139.2	88%	0.877	86%	0.858	S	S	*	*			trans	-91	141.6	173.1	-72.6	-14.3	0	0	0	110.7
4	C	45.2	Very low	40.2	Very low	140 Å²	140	136.1 Å²	136.1	95%	0.946	85%	0.853	S	S	*	*			trans	-142.1	109.5	152.4	-85.4	0	0	0	0	108.3
5	A	39.1	Very low	40.3	Very low	109 Å²	109	139.7 Å²	139.7	90%	0.901	86%	0.855	S	S	*	*			trans	-105.5	141	178.6	0	0	0	0	0	110.4
6	G	41.1	Very low	39.9	Very low	75 Å²	75	141.9 Å²	141.9	77%	0.773	85%	0.853	S	S	*	*			trans	-141.4	13.2	-159.2	0	0	0	0	0	119
7	K	40.4	Very low	39.9	Very low	205 Å²	205	144 Å²	144	89%	0.891	86%	0.856	S	S	*	*			trans	66.7	122.3	173.5	-59.4	179.5	176.1	179.5	0	118.3
8	H	35.6	Very low	39.7	Very low	177 Å²	177	140.9 Å²	140.9	82%	0.819	84%	0.843	S	S	*	*			trans	-73.4	158.2	153.8	-90.7	-108.9	0	0	0	111.3
9	V	46.9	Very low	39.6	Very low	143 Å²	143	141.5 Å²	141.5	87%	0.867	84%	0.842	S	S	*	*			trans	-134.4	137.9	150.1	178.9	0	0	0	0	107.7
10	S	38.4	Very low	39.5	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	83%	0.832	S	S	*	*			trans	-122	152.2	178.1	-59.6	0	0	0	0	110.3
11	P	37.6	Very low	39.4	Very low	116 Å²	116	139.4 Å²	139.4	75%	0.753	83%	0.833	S	S	*	*			trans	-86.2	158.2	-173	34.8	-36.5	0	0	0	114
12	P	51.1	Low	39.2	Very low	127 Å²	127	136.2 Å²	136.2	83%	0.825	82%	0.815	S	S	*	*			trans	-86.6	165.4	168.2	36.2	-34.4	0	0	0	112.8
13	T	36.4	Very low	39.1	Very low	130 Å²	130	140.4 Å²	140.4	80%	0.798	82%	0.816	S	S	*	*			trans	-137.3	146.3	-175.1	50.9	0	0	0	0	113
14	A	37.8	Very low	39.2	Very low	96 Å²	96	140.1 Å²	140.1	79%	0.793	81%	0.809	S	S	*	*			trans	66.5	154.6	168.8	0	0	0	0	0	114.8
15	E	40.3	Very low	38.8	Very low	189 Å²	189	140.6 Å²	140.6	88%	0.883	80%	0.802	S	S	*	*			cis	-145.5	-157.8	38.5	-133.8	165.3	-150.5	0	0	114.4
16	Q	34.5	Very low	38.5	Very low	176 Å²	176	143.5 Å²	143.5	82%	0.822	80%	0.797	S	S	*	*			trans	-101.4	164.4	-158.3	-57.3	164.5	-20.8	0	0	115.2
17	I	40	Very low	38	Very low	177 Å²	177	145.5 Å²	145.5	91%	0.908	80%	0.798	S	S	*	*			trans	-170.1	158.1	135.2	-99.2	154.5	0	0	0	109.6
18	S	36	Very low	37.6	Very low	89 Å²	89	144.7 Å²	144.7	62%	0.622	80%	0.797	S	S	*	*			trans	-135.2	169.9	-162.1	57.2	0	0	0	0	115.6
19	N	37.6	Very low	37.4	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	80%	0.802	S	S	*	*			trans	74.1	152.7	168.9	-47.7	-28.9	0	0	0	115.3
20	A	38.5	Very low	36.8	Very low	78 Å²	78	142.2 Å²	142.2	65%	0.645	79%	0.791	S	S	*	*			cis	-157	170.9	15.1	0	0	0	0	0	114.6
21	N	37.3	Very low	36.5	Very low	161 Å²	161	148 Å²	148	86%	0.861	81%	0.805	S	S	*	*			trans	83	147.4	151.6	-62.6	-4.7	0	0	0	121.7
22	E	34.1	Very low	36.3	Very low	184 Å²	184	150.2 Å²	150.2	86%	0.86	81%	0.805	S	S	*	*			trans	-111.7	167.4	-170.4	-53.1	159	107.2	0	0	111.6
23	M	36.9	Very low	35.5	Very low	167 Å²	167	150.6 Å²	150.6	82%	0.823	81%	0.805	S	S	*	*				175.1	156.6	114.6	-91.1	-165.2	82.4	0	0	113.1
24	H	38.8	Very low	35.3	Very low	158 Å²	158	150 Å²	150	73%	0.731	80%	0.801	S	S	*	*			trans	-25.3	149.1	174.9	-60	-44.6	0	0	0	118.6
25	N	36.6	Very low	34.8	Very low	150 Å²	150	156.6 Å²	156.6	80%	0.802	81%	0.805	S	S	*	*				-159.2	-171.6	58.5	-122.2	-34.4	0	0	0	116.5
26	Q	33.1	Very low	34.5	Very low	169 Å²	169	153.6 Å²	153.6	79%	0.79	80%	0.8	S	S	*	*			trans	-99.4	164	-158.3	-57.4	174.6	-21.2	0	0	117.4
27	C	29.4	Very low	34.2	Very low	117 Å²	117	150.6 Å²	150.6	79%	0.791	80%	0.798	S	S	*	*			trans	60.8	132.1	160.4	-62.9	0	0	0	0	117.9
28	E	32.9	Very low	33.9	Very low	189 Å²	189	147.2 Å²	147.2	88%	0.883	79%	0.79	S	S	*	*				-150.2	-175.4	52.9	-94.1	-169.2	149.7	0	0	114.6
29	L	31.3	Very low	33.6	Very low	175 Å²	175	151.4 Å²	151.4	92%	0.916	80%	0.8	S	S	*	*			trans	-80.1	128.1	-173.5	-72.8	73.7	0	0	0	113.6
30	S	33.7	Very low	33.7	Very low	92 Å²	92	149.9 Å²	149.9	64%	0.643	80%	0.799	S	S	*	*			trans	-145.9	126.1	152.9	60.1	0	0	0	0	111.9	H32	S30-H32 PolarHBondContact O-N 3.47Å; S30-H32 VanDerWaalsContact O-N 3.11Å
31	K	33.5	Very low	33.4	Very low	216 Å²	216	153.6 Å²	153.6	94%	0.939	81%	0.807	S	S	*	*			trans	-84.4	72.7	178.9	-75.7	-175.7	175.5	179.3	0	111.1	V33	K31-V33 PolarHBondContact O-N 3.36Å
32	H	33.1	Very low	33.1	Very low	163 Å²	163	153.7 Å²	153.7	76%	0.755	81%	0.807	S	S	*	*			trans	-82	103.5	169.5	-85.7	-72.8	0	0	0	111.4	S30 V34	S30-H32 PolarHBondContact O-N 3.47Å; S30-H32 VanDerWaalsContact O-N 3.11Å; H32-V34 PolarHBondContact O-N 3.16Å; H32-V34 VanDerWaalsContact O-N 3.16Å
33	V	33.5	Very low	32.9	Very low	135 Å²	135	152.3 Å²	152.3	82%	0.818	81%	0.805	S	S	*	*			trans	-70.9	105	166.2	177.9	0	0	0	0	108.3	K31 R35	K31-V33 PolarHBondContact O-N 3.36Å; V33-R35 PolarHBondContact O-N 2.75Å
34	V	31.6	Very low	32.8	Very low	118 Å²	118	150 Å²	150	72%	0.715	80%	0.804	S	S	*	*			trans	-69.9	115.7	176	177.4	0	0	0	0	109.3	H32 T36	H32-V34 PolarHBondContact O-N 3.16Å; H32-V34 VanDerWaalsContact O-N 3.16Å; V34-T36 PolarHBondContact O-N 2.76Å
35	R	28.1	Very low	32.4	Very low	233 Å²	233	149.3 Å²	149.3	88%	0.879	81%	0.805	S	S	*	*			trans	-73.3	101.2	170.7	-76	177.9	169.1	157.9	-4.9	110	V33 S37	V33-R35 PolarHBondContact O-N 2.75Å; R35-S37 PolarHBondContact O-N 2.91Å
36	T	33.6	Very low	32.1	Very low	127 Å²	127	146.1 Å²	146.1	78%	0.779	80%	0.795	S	S	*	*			trans	-80.1	86.9	164.3	40.1	0	0	0	0	110.1	V34 S38	V34-T36 PolarHBondContact O-N 2.76Å; T36-S38 PolarHBondContact O-N 2.91Å
37	S	27.8	Very low	32	Very low	113 Å²	113	149.3 Å²	149.3	79%	0.79	80%	0.801	S	S	*	*			trans	-76.5	89.4	177.9	57.3	0	0	0	0	112	R35	R35-S37 PolarHBondContact O-N 2.91Å
38	S	33.5	Very low	32	Very low	106 Å²	106	152.6 Å²	152.6	74%	0.741	80%	0.802	S	S	*	*			trans	-99.9	91.1	166.8	58.1	0	0	0	0	110.3	T36 P40	T36-S38 PolarHBondContact O-N 2.91Å; S38-P40 WeakPolarHBondContact O-CD 3.36Å
39	Q	31.6	Very low	32	Very low	176 Å²	176	148.7 Å²	148.7	82%	0.822	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-65.2	127.4	171.1	-70.2	178.5	-49.9	0	0	110.4
40	P	38	Very low	31.8	Very low	121 Å²	121	147.7 Å²	147.7	79%	0.786	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-69.5	129.6	151.5	-7	25.3	0	0	0	107.8	S38	S38-P40 WeakPolarHBondContact O-CD 3.36Å
41	L	32.7	Very low	31.8	Very low	156 Å²	156	148.3 Å²	148.3	82%	0.817	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.8	139.2	175.6	-77.6	160.5	0	0	0	111.1	L43	L41-L43 PolarHBondContact O-N 3.46Å
42	D	31.2	Very low	31.6	Very low	162 Å²	162	146.2 Å²	146.2	87%	0.866	79%	0.794	S	S	*	*			trans	-63.4	98.7	172.5	-75.9	-59.9	0	0	0	111.5	C44	D42-C44 PolarHBondContact O-N 2.88Å; D42-C44 VanDerWaalsContact O-N 3.12Å
43	L	31.1	Very low	31.5	Very low	156 Å²	156	147.5 Å²	147.5	82%	0.817	80%	0.798	S	S	*	*			trans	-84.3	64.6	164.6	-88.3	164.3	0	0	0	110.2	L41 D45	L41-L43 PolarHBondContact O-N 3.46Å; L43-D45 PolarHBondContact O-N 3.04Å
44	C	33.3	Very low	31.5	Very low	119 Å²	119	147.7 Å²	147.7	80%	0.804	80%	0.799	S	S	*	*			trans	-76.4	73.4	170.1	-171.5	0	0	0	0	109.8	D42	D42-C44 PolarHBondContact O-N 2.88Å; D42-C44 VanDerWaalsContact O-N 3.12Å
45	D	31.9	Very low	31.5	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	79%	0.792	S	S	*	*			trans	-66.4	138	-170.7	-130.9	-24.6	0	0	0	112.7	L43	L43-D45 PolarHBondContact O-N 3.04Å
46	S	28.5	Very low	31.8	Very low	84 Å²	84	145.3 Å²	145.3	59%	0.587	79%	0.792	S	S	*	*			trans	-86.1	130.3	-154.5	72.1	0	0	0	0	114.9
47	Y	31.6	Very low	31.7	Very low	235 Å²	235	146.7 Å²	146.7	92%	0.922	79%	0.789	S	S	*	*			trans	-112.5	104	153.6	-87.9	-88.4	0	0	0	110.4	S49	Y47-S49 PolarHBondContact O-N 3.35Å
48	K	29.1	Very low	32.1	Very low	186 Å²	186	149.3 Å²	149.3	81%	0.809	80%	0.795	S	S	*	*			trans	-73.1	104.6	177.1	-69	-179.8	179.9	176.5	0	110.5
49	S	33.3	Very low	32.2	Very low	108 Å²	108	147.6 Å²	147.6	76%	0.755	79%	0.794	S	S	*	*			trans	-80.1	122.5	155.8	-175.2	0	0	0	0	109	Y47	Y47-S49 PolarHBondContact O-N 3.35Å
50	N	27.9	Very low	32.2	Very low	154 Å²	154	147.5 Å²	147.5	82%	0.824	80%	0.798	S	S	*	*			trans	-77.3	121.9	172.2	-78.6	-23.6	0	0	0	109.5
51	S	33.4	Very low	32.1	Very low	105 Å²	105	149 Å²	149	73%	0.734	80%	0.798	S	S	*	*			trans	-142.2	127.1	162.5	-75.7	0	0	0	0	108.4	K53	S51-K53 PolarHBondContact O-N 3.11Å
52	L	29.7	Very low	32	Very low	172 Å²	172	148.4 Å²	148.4	90%	0.901	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.8	127.1	-172.5	-68.3	94.4	0	0	0	110.5
53	K	30.8	Very low	32.2	Very low	189 Å²	189	149.3 Å²	149.3	82%	0.822	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-73.6	120.5	154	-76	-172.8	173.7	-174.3	0	108.1	S51 I55	S51-K53 PolarHBondContact O-N 3.11Å; K53-I55 HydrophobicContact CB-CG1 4.45Å
54	V	33.1	Very low	32.2	Very low	139 Å²	139	150 Å²	150	84%	0.842	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-83.1	126.9	150.5	177.7	0	0	0	0	106.3
55	I	30.7	Very low	32.1	Very low	114 Å²	114	148 Å²	148	59%	0.585	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-98.7	139.8	178.1	-64.4	167	0	0	0	107.9	K53 E57	K53-I55 HydrophobicContact CB-CG1 4.45Å; I55-E57 HydrophobicContact CG2-CG 3.79Å
56	H	34.7	Very low	32.1	Very low	187 Å²	187	149 Å²	149	87%	0.866	80%	0.801	S	S	*	*			trans	-138	126.3	145.6	-113.7	-81.1	0	0	0	107.6
57	E	32.1	Very low	32.3	Very low	156 Å²	156	150.5 Å²	150.5	73%	0.729	81%	0.807	S	S	*	*			trans	-96.6	-166	174.4	-67.5	-178.9	118.3	0	0	109.6	I55	I55-E57 HydrophobicContact CG2-CG 3.79Å
58	D	36.8	Very low	32.3	Very low	168 Å²	168	145.5 Å²	145.5	90%	0.898	80%	0.796	S	S	*	*			trans	73.1	125.6	-179.9	-50.4	-32.2	0	0	0	116.2
59	G	34.5	Very low	32.6	Very low	71 Å²	71	143.9 Å²	143.9	73%	0.732	79%	0.791	S	S	*	*			cis	172.7	117.6	-9.5	0	0	0	0	0	115.5
60	L	33	Very low	32.6	Very low	174 Å²	174	145.5 Å²	145.5	91%	0.911	79%	0.787	S	S	*	*			trans	59.4	157.1	142.1	-97	168.9	0	0	0	123.2
61	I	35.5	Very low	32.8	Very low	151 Å²	151	144.4 Å²	144.4	77%	0.774	78%	0.777	S	S	*	*			trans	84.8	133.2	164.8	-40.4	-162.7	0	0	0	117.7
62	N	31.1	Very low	32.8	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	78%	0.776	S	S	*	*			trans	-92.1	161.4	179.7	-42	-52.5	0	0	0	111
63	E	34.2	Very low	33	Very low	180 Å²	180	145 Å²	145	84%	0.841	77%	0.769	S	S	*	*				176.5	173.2	103.4	-88.8	-140.6	130.3	0	0	113.1
64	L	31.8	Very low	33.1	Very low	172 Å²	172	141 Å²	141	90%	0.901	76%	0.764	S	S	*	*			trans	-73.2	144.6	-171.8	-62.9	138.1	0	0	0	113
65	G	31.7	Very low	33.1	Very low	75 Å²	75	138.7 Å²	138.7	77%	0.773	76%	0.755	S	S	*	*			trans	-168.4	142.1	170	0	0	0	0	0	111.9
66	I	30.8	Very low	33.2	Very low	163 Å²	163	138.7 Å²	138.7	84%	0.836	76%	0.764	S	S	*	*			trans	-124.5	158.8	-172.9	-42.5	178.5	0	0	0	110
67	T	33.5	Very low	33.2	Very low	117 Å²	117	136.9 Å²	136.9	72%	0.718	76%	0.759	S	S	*	*			trans	92.2	114.9	162.9	70.9	0	0	0	0	120
68	N	31.3	Very low	33.4	Very low	129 Å²	129	135 Å²	135	69%	0.69	76%	0.759	S	S	*	*				57.2	120.6	126.3	-64.7	41	0	0	0	123.1
69	E	34.1	Very low	33.2	Very low	152 Å²	152	135.5 Å²	135.5	71%	0.71	75%	0.748	S	S	*	*				103.3	141.9	118.7	-84.4	171.2	-129.9	0	0	123.7
70	H	34.7	Very low	33.2	Very low	143 Å²	143	137.2 Å²	137.2	66%	0.662	74%	0.737	S	S	*	*			trans	56.7	99.3	156	-77.9	-72.3	0	0	0	123.2
71	E	32.2	Very low	33.2	Very low	131 Å²	131	138.7 Å²	138.7	61%	0.612	73%	0.731	S	S	*	*				59.8	146.7	114.2	-92.7	-164.3	124.6	0	0	123.9
72	K	33.6	Very low	33.1	Very low	163 Å²	163	140 Å²	140	71%	0.709	73%	0.731	S	S	*	*			trans	74.5	147.7	150.2	-74.3	158.9	-178.5	141.2	0	118.1
73	V	32.3	Very low	33.3	Very low	127 Å²	127	137.7 Å²	137.7	77%	0.77	73%	0.726	S	S	*	*			cis	-166	170.1	-25.2	99.6	0	0	0	0	109.8
74	S	33.9	Very low	33.2	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	73%	0.727	S	S	*	*			trans	73.3	162.2	161.2	-98.6	0	0	0	0	120.1
75	S	33.2	Very low	33.3	Very low	92 Å²	92	131 Å²	131	64%	0.643	72%	0.72	S	S	*	*			cis	177.7	139.6	-36.9	53.1	0	0	0	0	112.7
76	C	33	Very low	33.4	Very low	113 Å²	113	138.5 Å²	138.5	76%	0.764	73%	0.725	S	S	*	*			trans	175.8	137.3	143.7	-96.9	0	0	0	0	108.8
77	L	34	Very low	33.6	Very low	149 Å²	149	136.7 Å²	136.7	78%	0.78	72%	0.716	S	S	*	*			cis	71.2	133.9	45.2	-56.7	173.2	0	0	0	111.9
78	T	35.6	Very low	33.6	Very low	116 Å²	116	139 Å²	139	71%	0.712	72%	0.724	S	S	*	*			cis	-158.7	179.6	13	-14.2	0	0	0	0	108.9
79	R	33.3	Very low	33.6	Very low	179 Å²	179	137 Å²	137	68%	0.675	72%	0.72	S	S	*	*			cis	-155.1	168.3	6	-166.3	156.6	-172	126.8	22.3	113.5
80	E	34.1	Very low	33.6	Very low	107 Å²	107	140 Å²	140	50%	0.5	73%	0.731	S	S	.	*			trans	-51.7	161.8	171.2	-42.8	147.7	168.8	0	0	120.4
81	R	33.8	Very low	33.4	Very low	206 Å²	206	136.6 Å²	136.6	78%	0.777	73%	0.734	S	S	*	*				145.9	156.1	120.2	-83.6	165	-166.6	-157.7	-1.1	114.5
82	F	32.6	Very low	33.5	Very low	177 Å²	177	136.1 Å²	136.1	78%	0.776	75%	0.745	S	S	*	*			cis	-170.7	167.2	-42.4	-131.6	-81.3	0	0	0	109.3
83	S	34.5	Very low	33.5	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	75%	0.754	S	S	*	*			trans	76.6	168.2	162.9	-53.8	0	0	0	0	119.4
84	T	33	Very low	33.7	Very low	140 Å²	140	137.9 Å²	137.9	86%	0.859	76%	0.758	S	S	*	*				178.6	135.1	-74.2	39.1	0	0	0	0	112.1
85	G	34	Very low	33.6	Very low	72 Å²	72	140.4 Å²	140.4	74%	0.742	76%	0.763	S	S	*	*			trans	156.3	131.9	172.3	0	0	0	0	0	110.8
86	R	34.3	Very low	33.7	Very low	232 Å²	232	144.6 Å²	144.6	88%	0.875	78%	0.777	S	S	*	*				68.5	133.4	57.3	-68.4	-165.4	-170	-172.2	7.1	113.9
87	D	33.5	Very low	33.6	Very low	124 Å²	124	144.2 Å²	144.2	66%	0.663	78%	0.776	S	S	*	*			cis	-161.2	178.4	-9.8	-86.6	-36.7	0	0	0	108.7
88	L	34.6	Very low	33.6	Very low	166 Å²	166	144 Å²	144	87%	0.869	78%	0.781	S	S	*	*			trans	71.3	171.8	163.9	-49.3	178.9	0	0	0	118.4
89	S	30.7	Very low	33.5	Very low	87 Å²	87	143.6 Å²	143.6	61%	0.608	78%	0.78	S	S	*	*				-167.3	156.4	-65.6	62.1	0	0	0	0	111.7
90	F	34.5	Very low	33.4	Very low	216 Å²	216	144.9 Å²	144.9	95%	0.947	79%	0.791	S	S	*	*			trans	65.5	143.4	169.5	-78.7	-90.9	0	0	0	119.7
91	G	30.8	Very low	33.3	Very low	70 Å²	70	146.1 Å²	146.1	72%	0.722	81%	0.806	S	S	*	*			trans	139.7	93.2	149.6	0	0	0	0	0	120.1
92	S	34	Very low	33	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	81%	0.805	S	S	*	*			trans	55.6	102.3	140.5	-58.6	0	0	0	0	123.6
93	K	33.2	Very low	33	Very low	206 Å²	206	140.9 Å²	140.9	90%	0.896	81%	0.809	S	S	*	*			trans	28.1	121.5	130.1	-60.1	177	178.2	178.3	0	120.7
94	S	36.2	Very low	32.8	Very low	121 Å²	121	141.9 Å²	141.9	85%	0.846	81%	0.811	S	S	*	*				-158.6	148.4	125.8	63.8	0	0	0	0	113.1
95	N	32.5	Very low	32.6	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	81%	0.808	S	S	*	*			trans	-73.1	147.6	-165.1	-49.2	-39.6	0	0	0	115.4
96	L	34.5	Very low	32.4	Very low	180 Å²	180	144.7 Å²	144.7	94%	0.942	81%	0.808	S	S	*	*			trans	-150.2	154	131.1	-142.6	71	0	0	0	110.4
97	S	31	Very low	32.2	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	81%	0.808	S	S	*	*			trans	-134.8	146.5	-158	53.9	0	0	0	0	115.2
98	T	34.6	Very low	32.2	Very low	143 Å²	143	142.2 Å²	142.2	88%	0.877	82%	0.817	S	S	*	*			trans	-162.4	136.2	147.5	0.5	0	0	0	0	109.4
99	P	33.4	Very low	31.9	Very low	108 Å²	108	137.8 Å²	137.8	70%	0.701	81%	0.811	S	S	*	*			trans	-102.7	166.4	-164.8	39.1	-36.2	0	0	0	115.1
100	K	31	Very low	32.1	Very low	206 Å²	206	139.5 Å²	139.5	90%	0.896	82%	0.823	S	S	*	*			trans	-84.4	139.5	155.6	-63.1	175.8	179.3	177.6	0	109.1
101	T	33.1	Very low	31.9	Very low	134 Å²	134	137.9 Å²	137.9	82%	0.822	82%	0.818	S	S	*	*			trans	-139.5	124.1	165.8	36.3	0	0	0	0	112.2
102	S	27.2	Very low	32	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	83%	0.825	S	S	*	*			trans	-100.2	167	151.4	52.7	0	0	0	0	108.7
103	L	31.6	Very low	31.9	Very low	164 Å²	164	139.6 Å²	139.6	86%	0.859	82%	0.818	S	S	*	*			trans	123.5	159.2	176.5	-72.4	163.7	0	0	0	111
104	V	31.2	Very low	31.9	Very low	119 Å²	119	137.8 Å²	137.8	72%	0.721	81%	0.813	S	S	*	*			cis	-167.4	163.6	-49.7	123.5	0	0	0	0	108.3
105	N	28	Very low	31.7	Very low	151 Å²	151	136.4 Å²	136.4	81%	0.807	80%	0.803	S	S	*	*			trans	-42.4	147.7	-175.1	-49.6	-9.7	0	0	0	118.9
106	V	30	Very low	31.8	Very low	121 Å²	121	136.2 Å²	136.2	73%	0.733	80%	0.801	S	S	*	*			trans	-140.2	139.5	142.7	-156.9	0	0	0	0	104.2
107	F	31.5	Very low	31.7	Very low	200 Å²	200	134.9 Å²	134.9	88%	0.877	79%	0.79	S	S	*	*			cis	-123.6	165.1	25.8	-84	-99.8	0	0	0	114.6
108	A	32.8	Very low	31.8	Very low	103 Å²	103	136.6 Å²	136.6	85%	0.851	79%	0.786	S	S	*	*			trans	-112.7	173.4	166.8	0	0	0	0	0	110.5
109	G	27.3	Very low	31.7	Very low	73 Å²	73	134.8 Å²	134.8	75%	0.753	78%	0.775	S	S	*	*			trans	-141.4	153.4	170.4	0	0	0	0	0	111.8
110	S	36	Very low	31.7	Very low	123 Å²	123	135.1 Å²	135.1	86%	0.86	78%	0.775	S	S	*	*			trans	-158.7	146.6	175.8	49.4	0	0	0	0	111.5
111	H	30.3	Very low	31.8	Very low	182 Å²	182	132.5 Å²	132.5	84%	0.843	77%	0.77	S	S	*	*			trans	-81.6	155.5	174.4	-73	-116.7	0	0	0	111.7
112	C	32.4	Very low	31.8	Very low	128 Å²	128	131.2 Å²	131.2	87%	0.865	77%	0.766	S	S	*	*				-177.6	176	111.6	-102.1	0	0	0	0	113.9
113	S	32.4	Very low	32.1	Very low	99 Å²	99	130.7 Å²	130.7	69%	0.692	76%	0.763	S	S	*	*			trans	-64.2	172.9	178.8	48.9	0	0	0	0	113.7
114	E	33.1	Very low	32.2	Very low	169 Å²	169	127.1 Å²	127.1	79%	0.79	75%	0.752	S	S	*	*			cis	-161.1	154.8	29.8	-156.2	152.5	-133.5	0	0	114.9
115	S	31.9	Very low	32.4	Very low	92 Å²	92	131.1 Å²	131.1	64%	0.643	76%	0.755	S	S	*	*			trans	35	123.3	157.2	65.9	0	0	0	0	122.7
116	L	34.1	Very low	32.6	Very low	152 Å²	152	131.4 Å²	131.4	80%	0.796	75%	0.752	S	S	*	*				-176.3	166.7	98.5	-95.5	169.2	0	0	0	113.7
117	Q	32.4	Very low	32.5	Very low	152 Å²	152	134.4 Å²	134.4	71%	0.71	76%	0.755	S	S	*	*			trans	-44.6	157.1	177	-66.7	167	-95.6	0	0	115.4
118	E	32.5	Very low	32.8	Very low	141 Å²	141	130.5 Å²	130.5	66%	0.659	75%	0.75	S	S	*	*			cis	-178.2	-179.2	6.4	-119.8	-174.2	-107.6	0	0	110.9
119	T	33	Very low	32.6	Very low	106 Å²	106	137.1 Å²	137.1	65%	0.65	75%	0.753	S	S	*	*			cis	-153.8	-179.9	-9.5	-16.3	0	0	0	0	110.2
120	V	34.1	Very low	32.9	Very low	115 Å²	115	141.2 Å²	141.2	70%	0.697	76%	0.757	S	S	*	*			trans	81.1	109	143.7	160.7	0	0	0	0	122.4
121	L	33.3	Very low	32.7	Very low	151 Å²	151	141.7 Å²	141.7	79%	0.791	76%	0.755	S	S	*	*			trans	52.7	118.9	142.7	-56.2	177.8	0	0	0	120.8
122	S	32.2	Very low	32.5	Very low	106 Å²	106	141 Å²	141	74%	0.741	76%	0.756	S	S	*	*				107.9	146.7	58.3	82.4	0	0	0	0	110.3
123	S	34.1	Very low	32.5	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	75%	0.75	S	S	*	*			cis	-149.8	143.5	16	55.7	0	0	0	0	110.6
124	S	34.5	Very low	32.5	Very low	89 Å²	89	144.8 Å²	144.8	62%	0.622	75%	0.75	S	S	*	*				65.1	136.1	99.3	-44.9	0	0	0	0	115.5
125	Y	35.3	Very low	32.5	Very low	203 Å²	203	144.8 Å²	144.8	80%	0.796	75%	0.752	S	S	*	*			cis	-141.5	-169.7	9.3	-55.6	-100.8	0	0	0	109.1
126	H	31.9	Very low	32.4	Very low	157 Å²	157	145.6 Å²	145.6	73%	0.727	75%	0.754	S	S	*	*			cis	-156	163.9	0	-144	-65	0	0	0	110.3
127	F	27.4	Very low	32.1	Very low	183 Å²	183	148.6 Å²	148.6	80%	0.803	75%	0.754	S	S	*	*			trans	-150.1	164.4	160.7	-123.2	-82	0	0	0	108.9
128	P	37.7	Very low	32.1	Very low	119 Å²	119	147.3 Å²	147.3	77%	0.773	75%	0.752	S	S	*	*			trans	-130.6	146.4	151.1	34.9	-22.6	0	0	0	113.3
129	R	28.6	Very low	32.1	Very low	241 Å²	241	146.7 Å²	146.7	91%	0.909	76%	0.758	S	S	*	*			trans	-149.4	114	178.2	-178.1	-170.6	-175.5	-162.7	3.5	110.5
130	L	33.7	Very low	31.9	Very low	160 Å²	160	153 Å²	153	84%	0.838	77%	0.77	S	S	*	*			trans	-156.7	145.2	177.9	-74.9	-178.8	0	0	0	107.8
131	T	31.3	Very low	32.1	Very low	133 Å²	133	154.6 Å²	154.6	82%	0.816	78%	0.78	S	S	*	*			cis	-153.8	168.7	-24.4	-5.5	0	0	0	0	107.7
132	L	27	Very low	32.2	Very low	166 Å²	166	155.2 Å²	155.2	87%	0.869	78%	0.778	S	S	*	*			trans	-108	125.2	178.7	175.7	83.2	0	0	0	110.1
133	E	32.7	Very low	32.4	Very low	157 Å²	157	159.3 Å²	159.3	73%	0.734	79%	0.785	S	S	*	*			trans	-165.1	149.5	159.9	-117.7	172.5	-173	0	0	114
134	Q	32.7	Very low	32.5	Very low	150 Å²	150	159.6 Å²	159.6	70%	0.701	79%	0.787	S	S	*	*			trans	50.9	149	154.2	-65.1	148	32.8	0	0	120.5
135	M	31.9	Very low	32.3	Very low	169 Å²	169	158.8 Å²	158.8	83%	0.833	79%	0.793	S	S	*	*			cis	172.5	108.7	-29.8	-111.3	-177.8	-176.8	0	0	105.7
136	T	30.3	Very low	32.2	Very low	110 Å²	110	156.3 Å²	156.3	68%	0.675	80%	0.799	S	S	*	*			trans	35.3	136.9	152.9	59.2	0	0	0	0	123.2
137	R	27.9	Very low	32.1	Very low	214 Å²	214	159.7 Å²	159.7	81%	0.808	81%	0.805	S	S	*	*			trans	77.1	153.3	158.9	-68.6	179.2	-174.6	101.2	-1.4	115.7
138	D	32.5	Very low	32.4	Very low	126 Å²	126	159.1 Å²	159.1	67%	0.674	81%	0.811	S	S	*	*			cis	-152.2	170.5	13.7	-133.9	-33.8	0	0	0	116.2
139	T	33.1	Very low	32.1	Very low	128 Å²	128	159 Å²	159	79%	0.785	81%	0.812	S	S	*	*			trans	66.8	143.5	154.2	50.2	0	0	0	0	123.8
140	R	28.6	Very low	32.3	Very low	239 Å²	239	152.2 Å²	152.2	90%	0.902	81%	0.808	S	S	*	*			trans	-82.7	160.3	176.4	-58	161.8	171.3	159.7	-5.6	112.2
141	V	37.7	Very low	32.1	Very low	148 Å²	148	152.7 Å²	152.7	90%	0.897	81%	0.811	S	S	*	*			trans	-119.2	135.6	153	-179.5	0	0	0	0	110.7
142	H	35.2	Very low	32.1	Very low	163 Å²	163	151.5 Å²	151.5	76%	0.755	81%	0.809	S	S	*	*			trans	-61.1	149.8	-175.5	-77.5	-121.8	0	0	0	115.4
143	H	37.3	Very low	32.3	Very low	192 Å²	192	150.2 Å²	150.2	89%	0.889	80%	0.803	S	S	*	*				-145.7	134.3	120	-115.9	-78	0	0	0	111.9
144	S	35.4	Very low	32.3	Very low	104 Å²	104	153 Å²	153	73%	0.727	81%	0.808	S	S	*	*			trans	-87.5	155.3	166.9	48.4	0	0	0	0	110.4
145	G	31.1	Very low	32.3	Very low	72 Å²	72	152.6 Å²	152.6	74%	0.742	81%	0.81	S	S	*	*			cis	143	118	-2.6	0	0	0	0	0	111.8
146	V	32.5	Very low	32.4	Very low	152 Å²	152	150.7 Å²	150.7	92%	0.921	80%	0.803	S	S	*	*			trans	-136.6	140.3	174.4	176.8	0	0	0	0	108.7
147	R	30.7	Very low	32.4	Very low	227 Å²	227	152.5 Å²	152.5	86%	0.857	81%	0.808	S	S	*	*			trans	-92.8	139.9	171.5	-66.7	174.4	173.2	167.6	-4	109.8
148	N	33.3	Very low	32.8	Very low	172 Å²	172	150.4 Å²	150.4	92%	0.92	81%	0.805	S	S	*	*				-165.7	164.8	129.3	-98.1	-16.4	0	0	0	110.9
149	S	30.6	Very low	32.8	Very low	115 Å²	115	152.3 Å²	152.3	80%	0.804	81%	0.81	S	S	*	*			trans	-114	135.1	-162.2	53.6	0	0	0	0	114
150	A	33.7	Very low	32.6	Very low	100 Å²	100	151.4 Å²	151.4	83%	0.826	81%	0.808	S	S	*	*			trans	-161.8	148.5	147.1	0	0	0	0	0	109.7
151	N	28.2	Very low	32.8	Very low	169 Å²	169	146.3 Å²	146.3	90%	0.904	80%	0.804	S	S	*	*			trans	-93.7	147.2	170.1	-65.2	-13.3	0	0	0	110
152	S	31.8	Very low	32.3	Very low	109 Å²	109	143.3 Å²	143.3	76%	0.762	79%	0.789	S	S	*	*			trans	-158.9	137.5	148.6	-169.3	0	0	0	0	110
153	D	30.9	Very low	32.2	Very low	139 Å²	139	141.2 Å²	141.2	74%	0.743	79%	0.79	S	S	*	*			trans	-83.6	154.2	175.1	-57.8	-82	0	0	0	112.3
154	Y	32.4	Very low	32.1	Very low	216 Å²	216	138.7 Å²	138.7	85%	0.847	78%	0.782	S	S	*	*			trans	-146.1	92.7	158.5	-101.7	-92	0	0	0	106.5
155	L	32.7	Very low	31.8	Very low	140 Å²	140	141.4 Å²	141.4	73%	0.733	78%	0.783	S	S	*	*				62	79.6	85.2	-69.9	171.9	0	0	0	114.1
156	D	34.8	Very low	31.9	Very low	130 Å²	130	147.8 Å²	147.8	70%	0.695	78%	0.784	S	S	*	*			trans	-97.3	115.5	160.8	-178.2	26.8	0	0	0	109.5	K158	D156-K158 PolarHBondContact O-N 3.47Å; D156-K158 IonicContact OD2-NZ 3.09Å
157	N	30.7	Very low	31.7	Very low	147 Å²	147	145.6 Å²	145.6	79%	0.786	78%	0.775	S	S	*	*			trans	-83.9	77.1	-165.4	-99.3	-33	0	0	0	113.2
158	K	36	Very low	31.6	Very low	170 Å²	170	141.4 Å²	141.4	74%	0.739	77%	0.774	S	S	*	*			trans	-95.9	111.9	165.7	-71.3	177.7	-176.5	167.8	0	110.5	D156 S160	D156-K158 PolarHBondContact O-N 3.47Å; D156-K158 IonicContact OD2-NZ 3.09Å; K158-S160 PolarHBondContact O-N 3.11Å
159	H	33	Very low	31.4	Very low	167 Å²	167	138.5 Å²	138.5	77%	0.773	77%	0.767	S	S	*	*			trans	-56	123.8	171.7	-80.4	-90.2	0	0	0	110.3	V161	H159-V161 PolarHBondContact O-N 2.61Å; H159-V161 VanDerWaalsContact O-N 3.17Å
160	S	28.6	Very low	31.3	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	77%	0.768	S	S	*	*			trans	-69.1	107.6	177.4	42.8	0	0	0	0	110.8	K158 S162	K158-S160 PolarHBondContact O-N 3.11Å; S160-S162 PolarHBondContact O-N 2.82Å
161	V	33.3	Very low	31.3	Very low	133 Å²	133	139.5 Å²	139.5	81%	0.806	77%	0.768	S	S	*	*			trans	-71.2	100.3	163.5	-179.8	0	0	0	0	107.6	H159	H159-V161 PolarHBondContact O-N 2.61Å; H159-V161 VanDerWaalsContact O-N 3.17Å
162	S	27.4	Very low	31.4	Very low	84 Å²	84	140.8 Å²	140.8	59%	0.587	77%	0.766	S	S	*	*			trans	-54.3	127.8	179.5	-58.9	0	0	0	0	111.4	S160 I164	S160-S162 PolarHBondContact O-N 2.82Å; S162-I164 PolarHBondContact O-N 3.29Å
163	P	31.8	Very low	31.6	Very low	120 Å²	120	141.5 Å²	141.5	78%	0.779	77%	0.768	S	S	*	*			trans	-73.2	90.7	173.5	29.6	-33.3	0	0	0	109.6	H165	P163-H165 PolarHBondContact O-N 3.25Å
164	I	35	Very low	31.6	Very low	138 Å²	138	141.8 Å²	141.8	71%	0.708	77%	0.768	S	S	*	*			trans	-67.5	99	177.9	-60.5	-179.3	0	0	0	109.3	S162 W166	S162-I164 PolarHBondContact O-N 3.29Å; I164-W166 PolarHBondContact O-N 3.17Å
165	H	30.2	Very low	31.7	Very low	161 Å²	161	139.6 Å²	139.6	75%	0.745	77%	0.771	S	S	*	*			trans	-72.6	118.7	172.9	-119.2	-84.2	0	0	0	109.8	P163 C167	P163-H165 PolarHBondContact O-N 3.25Å; H165-C167 PolarHBondContact O-N 2.91Å
166	W	32.2	Very low	31.6	Very low	206 Å²	206	140.8 Å²	140.8	78%	0.78	77%	0.773	S	S	*	*			trans	-72.7	88.4	177	-70.5	81.2	0	0	0	111.1	I164 V168	I164-W166 PolarHBondContact O-N 3.17Å; W166-V168 PolarHBondContact O-N 2.84Å
167	C	28.2	Very low	31.6	Very low	106 Å²	106	142.8 Å²	142.8	72%	0.716	78%	0.782	S	S	*	*			trans	-84.1	100.9	172	-71.6	0	0	0	0	110.7	H165 S169	H165-C167 PolarHBondContact O-N 2.91Å; C167-S169 PolarHBondContact O-N 3.17Å
168	V	28.1	Very low	31.6	Very low	140 Å²	140	141 Å²	141	85%	0.848	78%	0.776	S	S	*	*			trans	-65.7	127.8	162.8	179.8	0	0	0	0	108.7	W166	W166-V168 PolarHBondContact O-N 2.84Å
169	S	30.1	Very low	31.2	Very low	111 Å²	111	140.7 Å²	140.7	78%	0.776	78%	0.78	S	S	*	*			trans	-135.2	123.8	172.9	-73.5	0	0	0	0	110	C167	C167-S169 PolarHBondContact O-N 3.17Å
170	S	28.4	Very low	31.1	Very low	117 Å²	117	141.7 Å²	141.7	82%	0.818	79%	0.785	S	S	*	*			trans	-111.2	113.9	-176.3	58.7	0	0	0	0	111.3
171	S	34.2	Very low	31.1	Very low	118 Å²	118	145.6 Å²	145.6	83%	0.825	79%	0.788	S	S	*	*			trans	-159.1	117.5	166.4	51	0	0	0	0	111.2
172	K	30.4	Very low	31	Very low	197 Å²	197	147.6 Å²	147.6	86%	0.857	79%	0.793	S	S	*	*			trans	-91.7	154.1	159.7	-70.7	-171.9	174.6	-171.9	0	108.9
173	P	35.2	Very low	31.3	Very low	123 Å²	123	150.1 Å²	150.1	80%	0.799	80%	0.8	S	S	*	*				-111.4	156	94.6	-8.5	27.9	0	0	0	111.2
174	L	31.3	Very low	31.3	Very low	145 Å²	145	150 Å²	150	76%	0.759	80%	0.802	S	S	*	*			cis	86.7	94.5	31.8	-151.6	173.2	0	0	0	112.4
175	D	35.2	Very low	31.3	Very low	171 Å²	171	148.7 Å²	148.7	91%	0.914	80%	0.803	S	S	*	*			trans	-140.8	158.8	161.6	-96.3	-44.5	0	0	0	107.8
176	E	28.8	Very low	31.5	Very low	165 Å²	165	150.4 Å²	150.4	77%	0.771	81%	0.811	S	S	*	*			trans	-135.4	115.5	-147.2	179.4	176.5	-137.2	0	0	115
177	I	34.5	Very low	31.3	Very low	172 Å²	172	151.6 Å²	151.6	88%	0.882	82%	0.815	S	S	*	*			trans	-138.8	85.4	163.9	-54	-176.8	0	0	0	112
178	T	31.7	Very low	31.5	Very low	108 Å²	108	151.7 Å²	151.7	66%	0.663	82%	0.817	S	S	*	*			trans	21.5	112.7	134.7	-50.8	0	0	0	0	121.6
179	M	27.3	Very low	31.7	Very low	165 Å²	165	152.5 Å²	152.5	81%	0.813	82%	0.817	S	S	*	*			trans	55	138.3	140.7	-58.2	-102.3	-93.5	0	0	119.5
180	Q	31.9	Very low	31.9	Very low	188 Å²	188	154.6 Å²	154.6	88%	0.879	82%	0.817	S	S	*	*			cis	-146.5	166.9	48.5	-70.3	178.2	-6.1	0	0	113.8
181	K	28.1	Very low	32.1	Very low	190 Å²	190	156.2 Å²	156.2	83%	0.826	81%	0.812	S	S	*	*			trans	-95.1	148.4	177.2	-61.3	172	179	172.5	0	111.9
182	L	31.2	Very low	32.1	Very low	174 Å²	174	156.4 Å²	156.4	91%	0.911	81%	0.807	S	S	*	*			trans	-151.9	163	141.7	-110.8	170.6	0	0	0	110.5
183	N	33	Very low	32	Very low	137 Å²	137	154.3 Å²	154.3	73%	0.733	80%	0.801	S	S	*	*			trans	-115.7	154.6	-158.2	-75.8	-29.3	0	0	0	115.2
184	S	31.6	Very low	31.9	Very low	118 Å²	118	153.4 Å²	153.4	83%	0.825	80%	0.797	S	S	*	*			trans	79.1	155.6	146.2	-68.5	0	0	0	0	120.2
185	P	36.1	Very low	32.1	Very low	111 Å²	111	154.9 Å²	154.9	72%	0.721	80%	0.8	S	S	*	*			trans	-119.7	170.5	-160.7	42.2	-29.8	0	0	0	114.3
186	H	33	Very low	31.9	Very low	196 Å²	196	151.2 Å²	151.2	91%	0.907	79%	0.788	S	S	*	*			trans	-142.4	138.6	156.3	-100.4	-81.3	0	0	0	113
187	R	29.2	Very low	32	Very low	232 Å²	232	151.6 Å²	151.6	88%	0.875	79%	0.789	S	S	*	*			trans	-83	146.6	160	-85.4	177.9	164.2	177.3	-5.5	109.3
188	S	32.9	Very low	31.7	Very low	108 Å²	108	149.7 Å²	149.7	76%	0.755	78%	0.78	S	S	*	*			trans	-139.1	114.4	154.1	48.5	0	0	0	0	109.7
189	N	31.6	Very low	31.7	Very low	157 Å²	157	152.1 Å²	152.1	84%	0.84	78%	0.784	S	S	*	*			trans	-79.1	133.7	164.1	-75.2	-6.1	0	0	0	107.8
190	I	34.1	Very low	31.7	Very low	154 Å²	154	152 Å²	152	79%	0.79	78%	0.781	S	S	*	*			trans	-108.2	124.6	163.5	-63.6	177.2	0	0	0	107.3	V192	I190-V192 HydrophobicContact CG2-CG2 4.26Å
191	H	32.1	Very low	31.6	Very low	152 Å²	152	151.5 Å²	151.5	70%	0.704	78%	0.779	S	S	*	*			trans	-101.6	121	178.8	-174.7	25.4	0	0	0	108.7	Q193	H191-Q193 PolarHBondContact NE2-NE2 3.06Å
192	V	34.2	Very low	31.7	Very low	121 Å²	121	146.1 Å²	146.1	73%	0.733	77%	0.765	S	S	*	*			trans	-120.8	135.1	169.1	-177.9	0	0	0	0	108.2	I190	I190-V192 HydrophobicContact CG2-CG2 4.26Å
193	Q	27.9	Very low	31.5	Very low	153 Å²	153	143.8 Å²	143.8	72%	0.715	76%	0.763	S	S	*	*			trans	-117.1	127.4	175.9	-62.3	176.9	-8.5	0	0	109	H191	H191-Q193 PolarHBondContact NE2-NE2 3.06Å
194	S	34.3	Very low	31.3	Very low	104 Å²	104	145 Å²	145	73%	0.727	77%	0.769	S	S	*	*			trans	-172.5	109.8	150.3	55.3	0	0	0	0	113.7
195	H	34.7	Very low	31.2	Very low	177 Å²	177	145.3 Å²	145.3	82%	0.819	76%	0.761	S	S	*	*			trans	45.4	102.3	134.2	-70.5	-82.6	0	0	0	122.6
196	S	31.4	Very low	31	Very low	94 Å²	94	147 Å²	147	66%	0.657	76%	0.763	S	S	*	*				73.2	130.6	117.4	69.1	0	0	0	0	124
197	H	30.6	Very low	30.8	Very low	173 Å²	173	142.1 Å²	142.1	80%	0.801	74%	0.741	S	S	*	*				117.4	135.1	123.7	-104.7	-52.2	0	0	0	120.6
198	L	29.8	Very low	30.9	Very low	131 Å²	131	136 Å²	136	69%	0.686	73%	0.731	S	S	*	*			trans	90.1	128	164.3	-86.6	73.5	0	0	0	120.8
199	Q	30.8	Very low	30.5	Very low	159 Å²	159	138.1 Å²	138.1	74%	0.743	73%	0.728	S	S	*	*			trans	53.5	121.3	149.7	-66.3	163.6	-36.2	0	0	119.5
200	Q	26.9	Very low	30.3	Very low	162 Å²	162	139 Å²	139	76%	0.757	73%	0.731	S	S	*	*			cis	97.9	130.1	31.5	-73.9	-169.3	-43	0	0	115.2
201	H	30	Very low	30	Very low	179 Å²	179	138.2 Å²	138.2	83%	0.829	73%	0.733	S	S	*	*			trans	67.7	145.6	178.6	-54.4	-80.5	0	0	0	115.7
202	S	30.1	Very low	29.9	Very low	76 Å²	76	133.6 Å²	133.6	53%	0.531	73%	0.727	S	S	.	*			cis	-135.9	136.5	1.3	56.9	0	0	0	0	112
203	S	26.8	Very low	29.8	Very low	125 Å²	125	134.1 Å²	134.1	87%	0.874	73%	0.726	S	S	*	*			trans	-152.8	106.4	173.9	-60.5	0	0	0	0	109.7
204	L	29.4	Very low	30	Very low	163 Å²	163	135.5 Å²	135.5	85%	0.853	73%	0.725	S	S	*	*			trans	-156	119.7	174	-107.4	177	0	0	0	112.2
205	N	29.2	Very low	30	Very low	124 Å²	124	140.4 Å²	140.4	66%	0.663	73%	0.729	S	S	*	*			trans	-152.7	65.2	160.6	-144.7	4.8	0	0	0	110.2
206	I	31.5	Very low	30	Very low	147 Å²	147	137.2 Å²	137.2	75%	0.754	73%	0.726	S	S	*	*	S	Bend	trans	-163	148.2	168.8	-99.3	148.5	0	0	0	107.4
207	M	28.4	Very low	30.1	Very low	93 Å²	93	144.6 Å²	144.6	46%	0.458	74%	0.739	S	S	.	*			trans	-109.5	174.4	178.2	-65.7	-167.3	-178.3	0	0	110.9	K683 N724	M207-K683 HydrophobicContact CE-CD 4.34Å; M207-N724 VanDerWaalsContact CE-OD1 3.26Å; M207-N724 WeakPolarHBondContact CE-OD1 3.38Å
208	P	31.3	Very low	30.4	Very low	103 Å²	103	142.3 Å²	142.3	67%	0.669	74%	0.743	S	S	*	*			cis	-128.3	-175	-7.1	18.9	6.8	0	0	0	114
209	F	25.2	Very low	30.5	Very low	154 Å²	154	139.8 Å²	139.8	68%	0.675	75%	0.748	S	S	*	*			trans	25.8	108.7	154.1	-82.3	-83.1	0	0	0	120.3
210	L	28.2	Very low	30.7	Very low	174 Å²	174	138.2 Å²	138.2	91%	0.911	75%	0.754	S	S	*	*				-162.6	150.4	120.2	-107.9	167.3	0	0	0	110.7
211	V	27.6	Very low	31.1	Very low	138 Å²	138	135 Å²	135	84%	0.836	76%	0.755	S	S	*	*			trans	-110.2	140	-170.7	175	0	0	0	0	111
212	G	28.7	Very low	31.4	Very low	56 Å²	56	131.9 Å²	131.9	58%	0.577	75%	0.753	S	S	*	*			trans	170.6	94.4	161.9	0	0	0	0	0	120
213	N	32.5	Very low	31.7	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	76%	0.764	S	S	*	*			trans	65.1	158.3	150.5	-57.1	-66	0	0	0	118
214	R	32.5	Very low	32.1	Very low	182 Å²	182	133.4 Å²	133.4	69%	0.687	76%	0.764	S	S	*	*			cis	-157	156.8	-20.3	-110.7	174	-111.8	169.6	2	104.1
215	Y	34.7	Very low	32.3	Very low	207 Å²	207	137 Å²	137	81%	0.812	77%	0.766	S	S	*	*			cis	-154.8	158.1	48.2	-78	-100.1	0	0	0	107.6
216	S	34.2	Very low	32.7	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	77%	0.77	S	S	*	*				-160.8	156.7	53.3	-65.6	0	0	0	0	113.6
217	R	33	Very low	32.9	Very low	248 Å²	248	133.1 Å²	133.1	94%	0.936	77%	0.766	S	S	*	*			trans	-4.8	129	164.4	-61.6	170.7	171.1	174.9	-4.6	116.2
218	S	37.7	Very low	33	Very low	126 Å²	126	137.4 Å²	137.4	88%	0.881	79%	0.788	S	S	*	*				-163.9	168.3	53.7	53.4	0	0	0	0	113.7
219	G	32.4	Very low	33.2	Very low	77 Å²	77	141.9 Å²	141.9	79%	0.794	80%	0.8	S	S	*	*			trans	106.7	100.9	159.1	0	0	0	0	0	119
220	C	33.6	Very low	33.5	Very low	127 Å²	127	140 Å²	140	86%	0.858	81%	0.805	S	S	*	*			trans	6.7	129.1	156.3	-57.1	0	0	0	0	124
221	A	35.5	Very low	34	Very low	94 Å²	94	137.6 Å²	137.6	78%	0.777	80%	0.801	S	S	*	*				58.8	141.2	125.4	0	0	0	0	0	121.9
222	S	36.2	Very low	34.2	Very low	114 Å²	114	139.4 Å²	139.4	80%	0.797	81%	0.805	S	S	*	*			cis	-166.1	148.3	-2	-101.5	0	0	0	0	112.9
223	A	36.8	Very low	34.1	Very low	92 Å²	92	143.5 Å²	143.5	76%	0.76	82%	0.818	S	S	*	*			trans	62	154.1	156.2	0	0	0	0	0	119.2
224	T	36.1	Very low	34.2	Very low	141 Å²	141	145.3 Å²	145.3	87%	0.865	83%	0.827	S	S	*	*			cis	-148.6	-177	1.7	-19.8	0	0	0	0	112.4
225	R	34	Very low	33.9	Very low	237 Å²	237	143.8 Å²	143.8	89%	0.894	83%	0.832	S	S	*	*			trans	-79	177	-178.6	-73.6	178.2	170.1	170.8	-5	113.1
226	S	36.1	Very low	33.9	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	83%	0.832	S	S	*	*			cis	-169.8	165.8	34.7	-152.8	0	0	0	0	117
227	A	36.5	Very low	33.6	Very low	82 Å²	82	137.3 Å²	137.3	68%	0.678	83%	0.827	S	S	*	*			trans	49.4	132.6	154	0	0	0	0	0	120.8
228	M	30.7	Very low	33.7	Very low	183 Å²	183	132.6 Å²	132.6	90%	0.901	83%	0.826	S	S	*	*			cis	80.8	114.1	41	-68.7	178.7	121.3	0	0	115.8
229	E	34.3	Very low	33.4	Very low	197 Å²	197	135.3 Å²	135.3	92%	0.921	82%	0.824	S	S	*	*				-173.6	-177.2	118.6	-103	176	-167.4	0	0	112.9
230	S	32.4	Very low	33.6	Very low	114 Å²	114	141.6 Å²	141.6	80%	0.797	83%	0.83	S	S	*	*			trans	-131.2	164.9	-150.3	-64.1	0	0	0	0	114.9
231	P	38.8	Very low	33.4	Very low	125 Å²	125	140.3 Å²	140.3	81%	0.812	82%	0.822	S	S	*	*			trans	-96.5	169.7	-167.1	38.5	-37.4	0	0	0	115.9
232	L	31.2	Very low	33.3	Very low	176 Å²	176	143.7 Å²	143.7	92%	0.921	83%	0.827	S	S	*	*			trans	-135.5	151.1	168.4	-75.4	174	0	0	0	111.9
233	T	27.8	Very low	33	Very low	141 Å²	141	147.7 Å²	147.7	87%	0.865	83%	0.83	S	S	*	*			trans	-119.2	151.8	175.9	34.9	0	0	0	0	111.4
234	I	33.2	Very low	33.1	Very low	171 Å²	171	149 Å²	149	88%	0.877	83%	0.831	S	S	*	*			trans	-133.4	142.5	168.4	-64.6	-178.7	0	0	0	108.5
235	D	27	Very low	32.9	Very low	150 Å²	150	151.3 Å²	151.3	80%	0.802	83%	0.826	S	S	*	*			trans	-115.1	145.6	-177.9	175.5	31.9	0	0	0	110.6
236	S	33.8	Very low	32.7	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	82%	0.818	S	S	*	*			trans	-170.3	129.2	157.4	47.5	0	0	0	0	109.9
237	G	27.9	Very low	32.4	Very low	64 Å²	64	150 Å²	150	66%	0.66	82%	0.823	S	S	*	*			trans	-128.9	176.4	176.6	0	0	0	0	0	112.7
238	T	35.3	Very low	32	Very low	149 Å²	149	151.2 Å²	151.2	91%	0.914	83%	0.826	S	S	*	*			trans	-162	156.6	159.9	3.1	0	0	0	0	111.5
239	H	32.5	Very low	31.9	Very low	183 Å²	183	149.1 Å²	149.1	85%	0.847	82%	0.823	S	S	*	*			trans	-77.8	147.6	-176.5	-74.4	-115.8	0	0	0	113.6
240	K	35	Very low	31.6	Very low	209 Å²	209	145.7 Å²	145.7	91%	0.909	82%	0.816	S	S	*	*				-164.4	169.7	110	-103.3	162.4	-173.8	178.4	0	112.7
241	S	30.9	Very low	31.5	Very low	100 Å²	100	146.3 Å²	146.3	70%	0.699	81%	0.814	S	S	*	*			trans	-108.1	157	-165.7	53.1	0	0	0	0	113.2
242	D	33.6	Very low	31	Very low	165 Å²	165	146.2 Å²	146.2	88%	0.882	81%	0.807	S	S	*	*			trans	-160.7	166.6	134.1	-99.6	-29.4	0	0	0	113
243	K	30.2	Very low	31.1	Very low	197 Å²	197	142.8 Å²	142.8	86%	0.857	80%	0.798	S	S	*	*			trans	-142.1	144.4	178.6	-77.1	-176.7	176.8	177.2	0	110.9
244	P	37.9	Very low	31.2	Very low	121 Å²	121	143.2 Å²	143.2	79%	0.786	79%	0.794	S	S	*	*				-136.7	160.5	108.8	33.2	-17.3	0	0	0	111.7
245	Y	31.6	Very low	31.2	Very low	189 Å²	189	146.3 Å²	146.3	74%	0.741	80%	0.795	S	S	*	*				58.6	130.3	60.2	-120.4	-123.7	0	0	0	111.7
246	R	30	Very low	31.4	Very low	196 Å²	196	147.5 Å²	147.5	74%	0.74	80%	0.8	S	S	*	*			cis	-168.4	144.9	3.4	-169	-164.6	-164.1	170.2	3.5	109.6
247	S	30.7	Very low	31.4	Very low	122 Å²	122	151 Å²	151	85%	0.853	80%	0.801	S	S	*	*			trans	177.7	155.8	136.8	52	0	0	0	0	111.3
248	S	27.3	Very low	31.5	Very low	107 Å²	107	154.9 Å²	154.9	75%	0.748	81%	0.807	S	S	*	*			trans	-151.8	134.7	-176.7	54.4	0	0	0	0	109.4
249	V	28.2	Very low	31.3	Very low	139 Å²	139	155 Å²	155	84%	0.842	80%	0.801	S	S	*	*			trans	-117.3	122.3	167.9	-179.5	0	0	0	0	108
250	V	29	Very low	31.3	Very low	125 Å²	125	153.4 Å²	153.4	76%	0.758	79%	0.794	S	S	*	*			trans	-109.8	135.7	171.2	175.5	0	0	0	0	106.8
251	V	30	Very low	31.1	Very low	126 Å²	126	152.1 Å²	152.1	76%	0.764	79%	0.791	S	S	*	*			trans	-113.2	110.7	167.5	-179.2	0	0	0	0	107
252	D	28.8	Very low	31.2	Very low	124 Å²	124	153.6 Å²	153.6	66%	0.663	80%	0.801	S	S	*	*			trans	-113.9	138.7	169.8	-178	8.3	0	0	0	107.9	N254	D252-N254 PolarHBondContact OD1-N 3.3Å; D252-N254 PolarHBondContact OD1-ND2 2.93Å
253	S	32.1	Very low	31	Very low	104 Å²	104	149.6 Å²	149.6	73%	0.727	80%	0.799	S	S	*	*			trans	-138.8	37.6	-171.2	-67.1	0	0	0	0	112.6	R255	S253-R255 PolarHBondContact O-N 3.3Å
254	N	30.8	Very low	31	Very low	149 Å²	149	144 Å²	144	80%	0.797	80%	0.797	S	S	*	*			trans	-88.6	75	169.3	-82	-69.5	0	0	0	112.6	D252	D252-N254 PolarHBondContact OD1-N 3.3Å; D252-N254 PolarHBondContact OD1-ND2 2.93Å
255	R	32.6	Very low	30.4	Very low	237 Å²	237	145 Å²	145	89%	0.894	80%	0.801	S	S	*	*			trans	-159.4	88.8	169.4	-121.3	177.8	-168.3	-130.3	2.7	114.8	S253	S253-R255 PolarHBondContact O-N 3.3Å
256	L	31	Very low	30.3	Very low	174 Å²	174	143.8 Å²	143.8	91%	0.911	81%	0.806	S	S	*	*			trans	-166.4	110.8	144.8	-107.8	154.6	0	0	0	110.2
257	K	34.1	Very low	30	Very low	192 Å²	192	139.9 Å²	139.9	84%	0.835	81%	0.809	S	S	*	*			trans	-132.4	147.4	163.3	-86.7	-166.1	175	-172.7	0	107.4
258	N	29.5	Very low	29.9	Very low	145 Å²	145	140.3 Å²	140.3	78%	0.775	81%	0.807	S	S	*	*			trans	67.8	107.8	172.4	-48.2	-9.2	0	0	0	115.6
259	L	32.5	Very low	29.7	Very low	150 Å²	150	139.4 Å²	139.4	79%	0.785	81%	0.805	S	S	*	*				-150.3	168.7	121.5	-132.8	73.9	0	0	0	110
260	E	31.3	Very low	29.5	Very low	151 Å²	151	137.2 Å²	137.2	71%	0.706	80%	0.802	S	S	*	*			trans	-38.2	143.6	-173.2	-66.7	97.6	-143	0	0	116.6
261	Q	31.3	Very low	29.4	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	80%	0.804	S	S	*	*				68.2	139.7	54.1	-69.1	-162	-2.6	0	0	115.3
262	S	33.4	Very low	29	Very low	130 Å²	130	137 Å²	137	91%	0.909	80%	0.796	S	S	*	*			trans	64.7	148.5	-161.8	78.6	0	0	0	0	114.3
263	G	29.1	Very low	28.9	Very low	82 Å²	82	140.7 Å²	140.7	85%	0.845	81%	0.807	S	S	*	*			cis	148.5	95.5	-9.8	0	0	0	0	0	112.8
264	G	29.4	Very low	28.5	Very low	79 Å²	79	143.6 Å²	143.6	81%	0.814	81%	0.811	S	S	*	*			trans	179.7	130.5	175.9	0	0	0	0	0	113.3
265	T	25	Very low	28.3	Very low	142 Å²	142	146 Å²	146	87%	0.871	82%	0.817	S	S	*	*			trans	-112.9	127.1	179.5	-49.7	0	0	0	0	109.5
266	I	30	Very low	28.1	Very low	163 Å²	163	142.3 Å²	142.3	84%	0.836	82%	0.815	S	S	*	*			trans	-133.8	137	165.8	-58.6	-175.8	0	0	0	108.6
267	S	23.7	Very low	28.1	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	81%	0.81	S	S	*	*			trans	-134.6	130	172.2	174.3	0	0	0	0	108.4
268	T	28.2	Very low	27.8	Very low	132 Å²	132	134.4 Å²	134.4	81%	0.81	81%	0.811	S	S	*	*			trans	-147.7	145.1	169.5	-51.9	0	0	0	0	108.1
269	A	24	Very low	28	Very low	87 Å²	87	133 Å²	133	72%	0.719	81%	0.812	S	S	*	*			trans	-124.8	162.3	-178.8	0	0	0	0	0	112
270	A	23.6	Very low	27.9	Very low	94 Å²	94	132.3 Å²	132.3	78%	0.777	81%	0.809	S	S	*	*			trans	60.6	134.3	161.7	0	0	0	0	0	119.3
271	T	26.9	Very low	28.1	Very low	129 Å²	129	134.4 Å²	134.4	79%	0.791	82%	0.819	S	S	*	*				178.2	151.4	100.7	-68.5	0	0	0	0	110.3
272	I	22.6	Very low	28	Very low	117 Å²	117	134.3 Å²	134.3	60%	0.6	82%	0.818	S	S	*	*			trans	-86.4	140.6	179.8	-62.5	158.2	0	0	0	110.8
273	F	24.8	Very low	27.8	Very low	202 Å²	202	133.3 Å²	133.3	89%	0.886	81%	0.811	S	S	*	*			trans	-143.3	148.8	148.2	-95.3	-79.2	0	0	0	110.4
274	M	23.9	Very low	27.7	Very low	165 Å²	165	135.1 Å²	135.1	81%	0.813	81%	0.811	S	S	*	*			trans	-119.7	145.3	169	-63.2	-161.9	-54	0	0	109.1
275	E	28	Very low	27.9	Very low	198 Å²	198	137.8 Å²	137.8	93%	0.925	81%	0.811	S	S	*	*			trans	-146	148.1	160	-133.2	170.7	-156.9	0	0	110
276	N	27.8	Very low	28	Very low	160 Å²	160	134.7 Å²	134.7	86%	0.856	81%	0.808	S	S	*	*			trans	-95.6	139.8	-169.2	-72.4	-44	0	0	0	112.3
277	G	30.1	Very low	27.9	Very low	79 Å²	79	129.2 Å²	129.2	81%	0.814	79%	0.791	S	S	*	*			trans	-149.7	110.9	168.6	0	0	0	0	0	111.2
278	S	27.8	Very low	28.3	Very low	122 Å²	122	131.6 Å²	131.6	85%	0.853	79%	0.794	S	S	*	*			trans	-98.8	132.1	-171.8	-51.3	0	0	0	0	113
279	S	34.3	Very low	28.3	Very low	114 Å²	114	128.7 Å²	128.7	80%	0.797	78%	0.779	S	S	*	*			trans	-156.9	124.2	153.1	60.9	0	0	0	0	111.2
280	D	31.3	Very low	28.4	Very low	136 Å²	136	129.1 Å²	129.1	73%	0.727	77%	0.773	S	S	*	*			trans	-58.6	144.5	-168.3	-49.2	-74.3	0	0	0	116.4
281	H	34.3	Very low	28.6	Very low	196 Å²	196	133.2 Å²	133.2	91%	0.907	77%	0.768	S	S	*	*			trans	-160.7	114.4	131.3	-100.4	-65.2	0	0	0	110.2
282	H	28.9	Very low	28.8	Very low	179 Å²	179	133.6 Å²	133.6	83%	0.829	76%	0.756	S	S	*	*			trans	-84.9	124.8	-176.4	-89	-84.2	0	0	0	113.4
283	S	31.1	Very low	28.9	Very low	110 Å²	110	135 Å²	135	77%	0.769	76%	0.764	S	S	*	*			trans	-145.2	104	154.6	60.8	0	0	0	0	110.2	V285	S283-V285 PolarHBondContact O-N 2.78Å
284	S	27.2	Very low	29.1	Very low	119 Å²	119	128.9 Å²	128.9	83%	0.832	74%	0.743	S	S	*	*			trans	-90.3	96.4	-172.9	-175	0	0	0	0	112.1
285	V	32.9	Very low	29.3	Very low	135 Å²	135	129.5 Å²	129.5	82%	0.818	74%	0.744	S	S	*	*			trans	-130.7	87.7	170.8	-173.2	0	0	0	0	109.4	S283 G287	S283-V285 PolarHBondContact O-N 2.78Å; V285-G287 PolarHBondContact O-N 3.32Å
286	G	27	Very low	29.2	Very low	78 Å²	78	127.2 Å²	127.2	80%	0.804	73%	0.733	S	S	*	*			trans	-73.8	51.3	-175.1	0	0	0	0	0	115.4	L288	G286-L288 PolarHBondContact O-N 3.07Å
287	G	28.5	Very low	29.4	Very low	47 Å²	47	124.3 Å²	124.3	49%	0.485	72%	0.723	S	S	.	*			trans	-78.7	79.8	178.6	0	0	0	0	0	112.9	V285 S289 K633	V285-G287 PolarHBondContact O-N 3.32Å; G287-S289 PolarHBondContact O-N 2.87Å; G287-K633 PolarHBondContact O-NZ 3.04Å
288	L	32.2	Very low	29.2	Very low	165 Å²	165	130.3 Å²	130.3	86%	0.864	72%	0.722	S	S	*	*			trans	-48.6	127.3	178.1	-79.9	168.9	0	0	0	112.1	G286	G286-L288 PolarHBondContact O-N 3.07Å
289	S	26.5	Very low	29.3	Very low	71 Å²	71	131.5 Å²	131.5	50%	0.497	71%	0.712	S	S	.	*			trans	-77.3	125.7	168.3	-178.9	0	0	0	0	108.9	G287 R291	G287-S289 PolarHBondContact O-N 2.87Å; S289-R291 PolarHBondContact O-N 2.91Å
290	T	27.9	Very low	29.2	Very low	96 Å²	96	132 Å²	132	59%	0.589	71%	0.713	S	S	*	*			trans	-74.5	70.5	174.6	46.8	0	0	0	0	111.2
291	R	27.4	Very low	29	Very low	180 Å²	180	131.5 Å²	131.5	68%	0.679	72%	0.72	S	S	*	*			trans	-90.7	133.9	155.4	-70.1	-171.2	-179.5	-177.4	1.9	108.5	S289 L293	S289-R291 PolarHBondContact O-N 2.91Å; R291-L293 HydrophobicContact CB-CG 4.37Å; R291-L293 PolarHBondContact O-N 3.45Å
292	Y	30.2	Very low	29	Very low	136 Å²	136	128.1 Å²	128.1	53%	0.533	72%	0.719	S	S	.	*			trans	-72	73.3	170.8	-69.7	-83.2	0	0	0	110.4	V294 T504	Y292-V294 VanDerWaalsContact C-N 3.31Å; Y292-V294 PolarHBondContact O-N 3.12Å; Y292-T504 HydrophobicContact CE2-CG2 4.39Å
293	L	25	Very low	29.2	Very low	146 Å²	146	124.8 Å²	124.8	76%	0.764	72%	0.722	S	S	*	*			trans	-75.2	87.7	169.2	-68.9	-179.3	0	0	0	109.2	R291 H295	R291-L293 HydrophobicContact CB-CG 4.37Å; R291-L293 PolarHBondContact O-N 3.45Å; L293-H295 PolarHBondContact O-N 2.74Å; L293-H295 VanDerWaalsContact O-N 3.07Å
294	V	28.8	Very low	29.3	Very low	75 Å²	75	122.9 Å²	122.9	46%	0.455	72%	0.72	S	S	.	*			trans	-62.1	105.2	162.7	179.2	0	0	0	0	107.4	Y292 Q296 W371	Y292-V294 VanDerWaalsContact C-N 3.31Å; Y292-V294 PolarHBondContact O-N 3.12Å; V294-Q296 PolarHBondContact O-N 3.16Å; V294-Q296 VanDerWaalsContact O-N 3.15Å; V294-W371 HydrophobicContact CG1-CZ2 4.41Å
295	H	27.6	Very low	29.6	Very low	177 Å²	177	123.5 Å²	123.5	82%	0.819	72%	0.724	S	S	*	*			trans	-70.2	108.5	171.8	-114	-68.1	0	0	0	108.6	L293	L293-H295 PolarHBondContact O-N 2.74Å; L293-H295 VanDerWaalsContact O-N 3.07Å
296	Q	26.8	Very low	29.4	Very low	150 Å²	150	122.7 Å²	122.7	70%	0.701	73%	0.725	S	S	*	*			trans	-61.7	138.5	170.2	-73.9	-175.8	-35	0	0	110.2	V294 Y298	V294-Q296 PolarHBondContact O-N 3.16Å; V294-Q296 VanDerWaalsContact O-N 3.15Å; Q296-Y298 PolarHBondContact O-N 3.28Å
297	P	30.9	Very low	29.8	Very low	99 Å²	99	124.5 Å²	124.5	64%	0.643	73%	0.725	S	S	*	*			trans	-59.2	132.2	167.3	-22.8	34	0	0	0	111	F299	P297-F299 HydrophobicContact CB-CE2 4.3Å; P297-F299 PolarHBondContact O-N 3.39Å
298	Y	27.1	Very low	29.9	Very low	205 Å²	205	133.6 Å²	133.6	80%	0.804	75%	0.745	S	S	*	*			trans	-83.1	102.9	177.5	-125.6	-94	0	0	0	109.6	Q296 P300	Q296-Y298 PolarHBondContact O-N 3.28Å; Y298-P300 WeakPolarHBondContact O-CD 3.31Å
299	F	29.9	Very low	30	Very low	147 Å²	147	133.6 Å²	133.6	65%	0.645	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-81.8	120.2	174.8	-71.4	-80.8	0	0	0	110.9	P297	P297-F299 HydrophobicContact CB-CE2 4.3Å; P297-F299 PolarHBondContact O-N 3.39Å
300	P	30.9	Very low	30.3	Very low	124 Å²	124	135.4 Å²	135.4	81%	0.805	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-78.9	128.6	174.3	31.4	-32.8	0	0	0	110.9	Y298	Y298-P300 WeakPolarHBondContact O-CD 3.31Å
301	S	28.7	Very low	30.4	Very low	126 Å²	126	138.9 Å²	138.9	88%	0.881	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-94.5	128.4	177.6	45.9	0	0	0	0	112.2
302	S	33.8	Very low	30.6	Very low	125 Å²	125	133.8 Å²	133.8	87%	0.874	78%	0.775	S	S	*	*			trans	-105.8	150.1	170.7	57.1	0	0	0	0	110.9
303	A	33.5	Very low	30.8	Very low	109 Å²	109	132.6 Å²	132.6	90%	0.901	79%	0.786	S	S	*	*			trans	-101.5	152	-164.7	0	0	0	0	0	114
304	G	31.9	Very low	31.3	Very low	71 Å²	71	132.5 Å²	132.5	73%	0.732	79%	0.792	S	S	*	*			trans	-177.3	93	173.4	0	0	0	0	0	117.7
305	S	33.2	Very low	31.4	Very low	131 Å²	131	132.1 Å²	132.1	92%	0.916	80%	0.803	S	S	*	*			trans	70.7	155.2	154.4	-63.2	0	0	0	0	120.8
306	S	29.2	Very low	31.8	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	80%	0.803	S	S	*	*			trans	-138.3	145.7	-161.7	-52.6	0	0	0	0	114.9
307	S	34.9	Very low	31.9	Very low	116 Å²	116	128.4 Å²	128.4	81%	0.811	81%	0.809	S	S	*	*			trans	-168.8	98.4	151.7	34.9	0	0	0	0	110.1
308	R	32.5	Very low	31.9	Very low	237 Å²	237	130.9 Å²	130.9	89%	0.894	82%	0.815	S	S	*	*				63.2	112.1	84.1	-79.2	-167	172.8	-171.4	-0.3	116.4
309	L	32.9	Very low	32.1	Very low	166 Å²	166	128.1 Å²	128.1	87%	0.869	82%	0.815	S	S	*	*			trans	146.2	109.6	143.2	-78.7	166.4	0	0	0	108.3
310	S	33.1	Very low	32.1	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	82%	0.823	S	S	*	*				72	130.5	66.2	-175.4	0	0	0	0	114.4
311	L	29.8	Very low	32.4	Very low	169 Å²	169	130.3 Å²	130.3	89%	0.885	83%	0.826	S	S	*	*			cis	-171.2	132.2	-22	-176.6	74.4	0	0	0	108.8
312	G	32.1	Very low	32.6	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	82%	0.819	S	S	*	*			trans	78.3	167	163.7	0	0	0	0	0	118.1
313	S	33.8	Very low	32.5	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	82%	0.819	S	S	*	*			cis	-165.4	160.4	-16	-160.7	0	0	0	0	112.2
314	V	35.4	Very low	32.3	Very low	144 Å²	144	138 Å²	138	87%	0.873	81%	0.81	S	S	*	*			trans	68.7	135.3	166.7	-165	0	0	0	0	118.8
315	G	31.9	Very low	32.3	Very low	68 Å²	68	140.5 Å²	140.5	70%	0.701	81%	0.813	S	S	*	*			trans	122	106.7	155.6	0	0	0	0	0	116.3
316	P	36.1	Very low	32.2	Very low	125 Å²	125	142.3 Å²	142.3	81%	0.812	81%	0.812	S	S	*	*			trans	-98.1	142.2	-178.7	35.9	-32	0	0	0	113.9
317	C	29.4	Very low	32.4	Very low	123 Å²	123	143 Å²	143	83%	0.831	81%	0.812	S	S	*	*			trans	-172.6	142.9	138.8	-113.8	0	0	0	0	113.6
318	I	29.8	Very low	32.2	Very low	151 Å²	151	146.8 Å²	146.8	77%	0.774	82%	0.816	S	S	*	*			trans	-3.7	120.5	157.1	-50.7	169.2	0	0	0	117
319	N	31.7	Very low	32.2	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	81%	0.813	S	S	*	*				-170.3	150.8	127.5	-111.1	-50.3	0	0	0	114.8
320	S	30.1	Very low	32.1	Very low	117 Å²	117	142 Å²	142	82%	0.818	80%	0.804	S	S	*	*			trans	-61.9	137.9	178	-49.3	0	0	0	0	112.4
321	K	35.8	Very low	32	Very low	200 Å²	200	142.5 Å²	142.5	87%	0.87	81%	0.807	S	S	*	*			trans	-121.4	127.5	171.1	-78.3	-172.6	176	178.3	0	112.3
322	K	33.1	Very low	32.4	Very low	171 Å²	171	142.8 Å²	142.8	74%	0.743	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-49.5	136.1	-179.5	-60.3	169.4	177.2	178.8	0	112.4
323	I	33	Very low	32.9	Very low	167 Å²	167	144.1 Å²	144.1	86%	0.856	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.5	130.9	152.1	-63	170.6	0	0	0	106.9
324	Y	29.5	Very low	33.7	Very low	184 Å²	184	143 Å²	143	72%	0.722	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-95.9	131.6	172.1	-69.2	-96.6	0	0	0	108.9	L326	Y324-L326 PolarHBondContact O-N 3.26Å
325	P	30.3	Very low	34.8	Very low	124 Å²	124	141.2 Å²	141.2	81%	0.805	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-74	117.5	171.1	30	-31.7	0	0	0	109.3
326	L	32.2	Very low	36.6	Very low	168 Å²	168	144.4 Å²	144.4	88%	0.88	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-95.1	132.7	170.8	-94.3	162.8	0	0	0	110.1	Y324	Y324-L326 PolarHBondContact O-N 3.26Å
327	T	33.7	Very low	39	Very low	135 Å²	135	142.4 Å²	142.4	83%	0.828	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-79.4	166.9	-177.1	41.4	0	0	0	0	112.9	E329	T327-E329 PolarHBondContact O-N 3.32Å
328	Q	30	Very low	42.1	Very low	194 Å²	194	137.6 Å²	137.6	91%	0.907	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-59.7	125.9	-172.7	-60.9	164	-47.4	0	0	113.9
329	E	32.8	Very low	45.2	Very low	177 Å²	177	131.6 Å²	131.6	83%	0.827	67%	0.672	S	S	*	*			trans	-140.8	113.2	147.9	-75.1	-154.5	133.3	0	0	112.1	T327	T327-E329 PolarHBondContact O-N 3.32Å
330	N	29.6	Very low	48.2	Very low	127 Å²	127	124.7 Å²	124.7	68%	0.679	64%	0.635	S	S	*	*			trans	49.8	105.3	134.3	-56.7	-33.1	0	0	0	122	H332	N330-H332 PolarHBondContact O-N 2.86Å; N330-H332 VanDerWaalsContact O-N 3.16Å
331	S	31.5	Very low	51.3	Low	117 Å²	117	120 Å²	120	82%	0.818	60%	0.6	S	S	*	*	S	Bend		79.7	-6.7	119.9	-50.9	0	0	0	0	122.4
332	H	39.3	Very low	54.1	Low	175 Å²	175	111.4 Å²	111.4	81%	0.81	56%	0.563	S	S	*	*			trans	-112.1	6	176.5	-100.6	-80.5	0	0	0	115.8	N330 S334	N330-H332 PolarHBondContact O-N 2.86Å; N330-H332 VanDerWaalsContact O-N 3.16Å; H332-S334 PolarHBondContact O-N 3.21Å
333	N	42.9	Very low	57	Low	102 Å²	102	107 Å²	107	55%	0.545	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-87.8	17.6	-156.8	-141.6	15	0	0	0	116.6	Y337	N333-Y337 VanDerWaalsContact O-CD2 3.3Å; N333-Y337 WeakPolarHBondContact O-CD2 3.5Å; N333-Y337 WeakPolarHBondContact O-CE2 3.42Å
334	S	50	Low	59.9	Low	87 Å²	87	99.5 Å²	99.5	61%	0.608	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-76.2	-23.3	-171.4	54.2	0	0	0	0	115.2	H332 Y336 Y337	H332-S334 PolarHBondContact O-N 3.21Å; S334-Y336 VanDerWaalsContact C-N 3.28Å; S334-Y336 PolarHBondContact O-N 3.27Å; S334-Y337 PolarHBondContact O-N 3.48Å
335	E	57.8	Low	62.9	Low	106 Å²	106	96.8 Å²	96.8	50%	0.495	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-66	-26.2	-173.6	-68.9	-174.8	115	0	0	114.1
336	Y	69.4	Low	65.9	Low	135 Å²	135	92.1 Å²	92.1	53%	0.529	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-88	-7.1	-174.1	-64.2	-81.5	0	0	0	114.6	S334 V362	S334-Y336 VanDerWaalsContact C-N 3.28Å; S334-Y336 PolarHBondContact O-N 3.27Å; Y336-V362 PolarHBondContact O-N 3.12Å
337	Y	87.2	Confident	68.7	Low	83 Å²	83	86.1 Å²	86.1	33%	0.325	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.8	-176.5	-72.1	-80.6	0	0	0	112.2	N333 S334 R361 A390	N333-Y337 VanDerWaalsContact O-CD2 3.3Å; N333-Y337 WeakPolarHBondContact O-CD2 3.5Å; N333-Y337 WeakPolarHBondContact O-CE2 3.42Å; S334-Y337 PolarHBondContact O-N 3.48Å; Y337-R361 HydrophobicContact CE1-CB 4.22Å; Y337-A390 VanDerWaalsContact O-CB 3.27Å; Y337-A390 WeakPolarHBondContact O-CB 3.3Å; Y337-A390 PolarHBondContact O-N 3.01Å; Y337-A390 VanDerWaalsContact O-N 3.09Å
338	H	93.8	Very high	71.4	Confident	23 Å²	23	81 Å²	81	11%	0.106	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	156	172.1	-72.5	61.8	0	0	0	109.5	Q359 L360 V362 W371 L387 A388	H338-Q359 WeakPolarHBondContact O-CA 3.38Å; H338-L360 PolarHBondContact N-O 3.22Å; H338-L360 PolarHBondContact O-N 2.84Å; H338-V362 HydrophobicContact CB-CG2 4.12Å; H338-V362 WeakPolarHBondContact ND1-CG2 3.32Å; H338-W371 AromaticContact CD2-CZ3 3.75Å; H338-W371 AromaticContact NE2-CZ3 3.82Å; H338-L387 HydrophobicContact CB-CB 4.35Å; H338-L387 HydrophobicContact CB-CD1 4.38Å; H338-A388 CarbonylContact C-O 3.6Å; H338-A388 VanDerWaalsContact CA-O 3.26Å; H338-A388 WeakPolarHBondContact CA-O 3.49Å; H338-A388 WeakPolarHBondContact CB-O 3.37Å
339	V	95.2	Very high	74.3	Confident	25 Å²	25	78 Å²	78	15%	0.152	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.8	175.6	62.7	0	0	0	0	109.7	I341 D358 L387 A388 A395	V339-I341 HydrophobicContact CG1-CG2 4.42Å; V339-I341 PolarHBondContact O-N 2.98Å; V339-D358 WeakPolarHBondContact CA-O 3.27Å; V339-L387 WeakPolarHBondContact O-CA 3.46Å; V339-A388 HydrophobicContact CG1-CB 4.33Å; V339-A388 PolarHBondContact N-O 2.69Å; V339-A388 PolarHBondContact O-N 2.84Å; V339-A395 HydrophobicContact CG1-CB 3.65Å
340	A	96	Very high	77.1	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.008	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	117.5	170.3	0	0	0	0	0	109.8	A354 R355 K356 G357 D358 L360 Y386 L387	A340-A354 HydrophobicContact CB-CB 4.02Å; A340-R355 WeakPolarHBondContact CB-O 3.42Å; A340-K356 CarbonylContact O-C 3.58Å; A340-K356 WeakPolarHBondContact O-CA 3.21Å; A340-G357 PolarHBondContact O-N 2.96Å; A340-D358 PolarHBondContact N-O 3.09Å; A340-L360 HydrophobicContact CB-CD1 3.87Å; A340-Y386 WeakPolarHBondContact CA-O 3.29Å; A340-L387 HydrophobicContact CB-CD2 4.38Å
341	I	94.5	Very high	80.2	Confident	18 Å²	18	68.2 Å²	68.2	9%	0.092	36%	0.361	C	S	.	.	S	Bend	trans	-88.6	-9.2	179.1	49.8	163.4	0	0	0	113.1	V339 K356 Y386 A388	V339-I341 HydrophobicContact CG1-CG2 4.42Å; V339-I341 PolarHBondContact O-N 2.98Å; I341-K356 WeakPolarHBondContact O-CD 3.34Å; I341-K356 WeakPolarHBondContact O-CE 3.26Å; I341-K356 WeakPolarHBondContact O-CG 3.45Å; I341-Y386 WeakPolarHBondContact CG1-O 3.05Å; I341-Y386 PolarHBondContact N-O 3.34Å; I341-A388 HydrophobicContact CG2-CB 3.67Å
342	F	94.1	Very high	83.2	Confident	21 Å²	21	62.7 Å²	62.7	9%	0.092	32%	0.323	C	S	.	.	S	Bend	trans	-141.9	164.2	169.7	-48.1	-89.7	0	0	0	110.6	Y386 R498 P500 P501	F342-Y386 HydrophobicContact CB-CD1 3.77Å; F342-Y386 HydrophobicContact CB-CE1 4.01Å; F342-Y386 HydrophobicContact CD2-CD1 4.24Å; F342-Y386 HydrophobicContact CD2-CG 4.39Å; F342-Y386 HydrophobicContact CG-CD1 4.45Å; F342-R498 HydrophobicContact CE1-CB 4.1Å; F342-R498 HydrophobicContact CE1-CG 3.84Å; F342-R498 HydrophobicContact CZ-CB 4.47Å; F342-R498 HydrophobicContact CZ-CG 3.73Å; F342-P500 HydrophobicContact CD1-CB 4.09Å; F342-P500 HydrophobicContact CD1-CG 3.99Å; F342-P500 HydrophobicContact CE1-CB 4.44Å; F342-P500 HydrophobicContact CE1-CG 4.46Å; F342-P500 HydrophobicContact CG-CB 4.33Å; F342-P501 HydrophobicContact CD2-CG 4.41Å; F342-P501 HydrophobicContact CE2-CG 3.95Å
343	D	94.8	Very high	85.9	Confident	78 Å²	78	57 Å²	57	42%	0.417	30%	0.302	S	S	.	.			trans	-69.1	131.9	165.4	-79.9	25.1	0	0	0	110.5	A354 R355 K356 Y386	D343-A354 WeakPolarHBondContact CA-O 3.22Å; D343-R355 WeakPolarHBondContact OD1-CA 3.38Å; D343-R355 WeakPolarHBondContact OD2-CD 3.37Å; D343-R355 IonicContact OD2-CZ 3.83Å; D343-R355 IonicContact OD2-NE 2.76Å; D343-R355 IonicContact OD2-NH1 3.57Å; D343-R355 PolarHBondContact OD2-NH1 3.25Å; D343-K356 WeakPolarHBondContact OD1-CB 3.46Å; D343-K356 PolarHBondContact OD1-N 2.95Å; D343-Y386 WeakPolarHBondContact O-CE1 3.37Å
344	Y	94.1	Very high	88.4	Confident	9 Å²	9	52.2 Å²	52.2	4%	0.035	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-127.5	135.9	173.4	-179.5	-108.3	0	0	0	110.6	E351 V352 S353 A354 I382 P383 Y386	Y344-E351 HydrophobicContact CE1-CB 4.45Å; Y344-E351 PolarHBondContact OH-OE2 2.96Å; Y344-E351 VanDerWaalsContact OH-OE2 3.07Å; Y344-V352 WeakPolarHBondContact CD1-O 3.26Å; Y344-S353 WeakPolarHBondContact O-CA 3.27Å; Y344-S353 WeakPolarHBondContact O-CB 3.04Å; Y344-A354 PolarHBondContact N-O 3.44Å; Y344-A354 PolarHBondContact O-N 2.99Å; Y344-I382 HydrophobicContact CD1-CD1 3.82Å; Y344-I382 HydrophobicContact CD1-CG1 3.6Å; Y344-I382 HydrophobicContact CE1-CG1 4.02Å; Y344-I382 HydrophobicContact CG-CD1 4.23Å; Y344-I382 HydrophobicContact CG-CG1 4.08Å; Y344-P383 HydrophobicContact CD2-CG 4.29Å; Y344-P383 HydrophobicContact CE2-CG 3.79Å; Y344-Y386 HydrophobicContact CD2-CD1 4.17Å; Y344-Y386 AromaticContact CD2-CE1 3.98Å; Y344-Y386 HydrophobicContact CD2-CE1 3.98Å; Y344-Y386 HydrophobicContact CG-CD1 4.32Å; Y344-Y386 HydrophobicContact CG-CE1 4.48Å
345	E	92.8	Very high	90.7	Very high	127 Å²	127	55.5 Å²	55.5	59%	0.593	28%	0.276	S	S	*	.			trans	-115.6	126.7	176.4	-179.8	171.5	-148.1	0	0	108.4	H347	E345-H347 PolarHBondContact O-CE1 3.41Å; E345-H347 PolarHBondContact O-ND1 3Å
346	A	92.9	Very high	92.4	Very high	26 Å²	26	55.2 Å²	55.2	22%	0.215	27%	0.273	C	S	.	.			trans	-60.8	137.6	177.1	0	0	0	0	0	111.4	E351 S353	A346-E351 HydrophobicContact CB-CB 3.71Å; A346-S353 PolarHBondContact N-OG 2.63Å
347	H	90.4	Very high	93.6	Very high	42 Å²	42	51.2 Å²	51.2	19%	0.194	27%	0.273	C	S	.	.	S	Bend	trans	-113.8	-10.9	180	-56.8	-28.6	0	0	0	112.8	E345 E351 W540 N541 I544	E345-H347 PolarHBondContact O-CE1 3.41Å; E345-H347 PolarHBondContact O-ND1 3Å; H347-E351 WeakPolarHBondContact CA-OE2 3.44Å; H347-E351 WeakPolarHBondContact CB-OE2 3.26Å; H347-E351 PolarHBondContact N-OE2 3.11Å; H347-W540 HydrophobicContact CB-CZ3 3.81Å; H347-N541 PolarHBondContact O-ND2 3.05Å; H347-I544 HydrophobicContact CB-CD1 4.3Å; H347-I544 HydrophobicContact CB-CG1 4.36Å; H347-I544 WeakPolarHBondContact CD2-CD1 3.33Å; H347-I544 VanDerWaalsContact CD2-CG1 3.45Å; H347-I544 WeakPolarHBondContact CD2-CG1 3.38Å
348	T	90.7	Very high	94.1	Very high	29 Å²	29	49.6 Å²	49.6	18%	0.178	27%	0.27	C	S	.	.	S	Bend	trans	-130.8	168.5	166.5	73.6	0	0	0	0	111.6	E350 E351 W540	T348-E350 PolarHBondContact O-N 2.76Å; T348-E350 PolarHBondContact OG1-N 3.16Å; T348-E351 WeakPolarHBondContact CB-OE1 3.36Å; T348-E351 VanDerWaalsContact CG2-OE1 3.22Å; T348-E351 WeakPolarHBondContact CG2-OE1 3.38Å; T348-E351 PolarHBondContact N-OE2 3Å; T348-E351 PolarHBondContact O-N 2.65Å; T348-E351 PolarHBondContact OG1-OE1 3.32Å; T348-W540 HydrophobicContact CG2-CH2 3.57Å; T348-W540 HydrophobicContact CG2-CZ2 4.27Å; T348-W540 HydrophobicContact CG2-CZ3 4.37Å
349	S	91.2	Very high	94.1	Very high	129 Å²	129	54.9 Å²	54.9	90%	0.902	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.2	173.9	55.3	0	0	0	0	114.5
350	E	91.6	Very high	94.2	Very high	84 Å²	84	53.7 Å²	53.7	39%	0.393	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.9	173.6	-61.6	-172.8	-177	0	0	112.1	T348 G380 Y381	T348-E350 PolarHBondContact O-N 2.76Å; T348-E350 PolarHBondContact OG1-N 3.16Å; E350-G380 CarbonylContact O-C 3.5Å; E350-G380 VanDerWaalsContact O-CA 3.27Å; E350-G380 WeakPolarHBondContact O-CA 3.3Å; E350-Y381 HydrophobicContact CB-CD2 4.26Å; E350-Y381 WeakPolarHBondContact O-CD2 3.25Å; E350-Y381 PolarHBondContact O-N 3.44Å
351	E	94	Very high	94.1	Very high	15 Å²	15	58.2 Å²	58.2	7%	0.07	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-101.7	159.3	-177.8	-73.3	146.1	-137.6	0	0	112.1	Y344 A346 H347 T348 W370 Y381 S507	Y344-E351 HydrophobicContact CE1-CB 4.45Å; Y344-E351 PolarHBondContact OH-OE2 2.96Å; Y344-E351 VanDerWaalsContact OH-OE2 3.07Å; A346-E351 HydrophobicContact CB-CB 3.71Å; H347-E351 WeakPolarHBondContact CA-OE2 3.44Å; H347-E351 WeakPolarHBondContact CB-OE2 3.26Å; H347-E351 PolarHBondContact N-OE2 3.11Å; T348-E351 WeakPolarHBondContact CB-OE1 3.36Å; T348-E351 VanDerWaalsContact CG2-OE1 3.22Å; T348-E351 WeakPolarHBondContact CG2-OE1 3.38Å; T348-E351 PolarHBondContact N-OE2 3Å; T348-E351 PolarHBondContact O-N 2.65Å; T348-E351 PolarHBondContact OG1-OE1 3.32Å; E351-W370 HydrophobicContact CG-CZ3 4.02Å; E351-Y381 CarbonylContact C-O 3.58Å; E351-Y381 WeakPolarHBondContact CA-O 3.34Å; E351-S507 WeakPolarHBondContact OE1-CB 3.15Å
352	V	95.1	Very high	94.1	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	30%	0.304	C	S	.	.			trans	-127.5	128.6	177.8	64.6	0	0	0	0	111.8	Y344 V373 H375 Q378 Y381	Y344-V352 WeakPolarHBondContact CD1-O 3.26Å; V352-V373 HydrophobicContact CG1-CG2 3.52Å; V352-H375 HydrophobicContact CG2-CB 4.07Å; V352-Q378 HydrophobicContact CG2-CB 4.02Å; V352-Y381 PolarHBondContact N-O 3.43Å
353	S	95.4	Very high	94.1	Very high	54 Å²	54	60.6 Å²	60.6	38%	0.378	32%	0.318	S	S	.	.			trans	-73.1	149.5	178.2	-57.2	0	0	0	0	112.1	Y344 A346 H375	Y344-S353 WeakPolarHBondContact O-CA 3.27Å; Y344-S353 WeakPolarHBondContact O-CB 3.04Å; A346-S353 PolarHBondContact N-OG 2.63Å; S353-H375 PolarHBondContact O-ND1 2.88Å
354	A	96.2	Very high	93.9	Very high	3 Å²	3	59.9 Å²	59.9	3%	0.025	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-147.1	150.3	175.1	0	0	0	0	0	111.1	A340 D343 Y344 L360 I382	A340-A354 HydrophobicContact CB-CB 4.02Å; D343-A354 WeakPolarHBondContact CA-O 3.22Å; Y344-A354 PolarHBondContact N-O 3.44Å; Y344-A354 PolarHBondContact O-N 2.99Å; A354-L360 HydrophobicContact CB-CD1 4.33Å; A354-L360 HydrophobicContact CB-CD2 4.18Å; A354-I382 HydrophobicContact CB-CD1 3.94Å
355	R	96.8	Very high	93.7	Very high	156 Å²	156	63.8 Å²	63.8	59%	0.589	34%	0.335	S	S	*	.			trans	-101.8	152.5	169.9	-63	-65	175.6	-178.5	-8.1	110.1	A340 D343 G357 D358	A340-R355 WeakPolarHBondContact CB-O 3.42Å; D343-R355 WeakPolarHBondContact OD1-CA 3.38Å; D343-R355 WeakPolarHBondContact OD2-CD 3.37Å; D343-R355 IonicContact OD2-CZ 3.83Å; D343-R355 IonicContact OD2-NE 2.76Å; D343-R355 IonicContact OD2-NH1 3.57Å; D343-R355 PolarHBondContact OD2-NH1 3.25Å; R355-G357 PolarHBondContact O-N 2.73Å; R355-D358 PolarHBondContact N-OD2 3.2Å; R355-D358 VanDerWaalsContact O-CB 3.26Å; R355-D358 WeakPolarHBondContact O-CB 3.43Å; R355-D358 VanDerWaalsContact O-CG 3.3Å; R355-D358 PolarHBondContact O-N 3.07Å
356	K	95.1	Very high	93.5	Very high	100 Å²	100	62.3 Å²	62.3	44%	0.435	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	123.2	176.9	-176.7	179.6	179.9	-169.5	0	110.6	A340 I341 D343 D397	A340-K356 CarbonylContact O-C 3.58Å; A340-K356 WeakPolarHBondContact O-CA 3.21Å; I341-K356 WeakPolarHBondContact O-CD 3.34Å; I341-K356 WeakPolarHBondContact O-CE 3.26Å; I341-K356 WeakPolarHBondContact O-CG 3.45Å; D343-K356 WeakPolarHBondContact OD1-CB 3.46Å; D343-K356 PolarHBondContact OD1-N 2.95Å; K356-D397 VanDerWaalsContact CE-OD1 3.28Å; K356-D397 WeakPolarHBondContact CE-OD1 3.48Å; K356-D397 IonicContact NZ-OD1 2.76Å; K356-D397 PolarHBondContact NZ-OD1 2.96Å; K356-D397 IonicContact NZ-OD2 2.99Å; K356-D397 PolarHBondContact NZ-OD2 2.93Å
357	G	94.8	Very high	93.2	Very high	50 Å²	50	61.7 Å²	61.7	52%	0.515	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	-10.3	-175.7	0	0	0	0	0	114.8	A340 R355	A340-G357 PolarHBondContact O-N 2.96Å; R355-G357 PolarHBondContact O-N 2.73Å
358	D	96.5	Very high	92.9	Very high	49 Å²	49	62.2 Å²	62.2	26%	0.262	34%	0.341	S	S	.	.			trans	-61.9	145.8	171.5	-71.7	-13.7	0	0	0	110.4	V339 A340 R355 L360 H375	V339-D358 WeakPolarHBondContact CA-O 3.27Å; A340-D358 PolarHBondContact N-O 3.09Å; R355-D358 PolarHBondContact N-OD2 3.2Å; R355-D358 VanDerWaalsContact O-CB 3.26Å; R355-D358 WeakPolarHBondContact O-CB 3.43Å; R355-D358 VanDerWaalsContact O-CG 3.3Å; R355-D358 PolarHBondContact O-N 3.07Å; D358-L360 HydrophobicContact CB-CD1 4.28Å; D358-L360 WeakPolarHBondContact O-CD1 3.43Å; D358-H375 IonicContact OD2-CE1 2.75Å; D358-H375 PolarHBondContact OD2-CE1 3.05Å; D358-H375 IonicContact OD2-NE2 3.15Å; D358-H375 PolarHBondContact OD2-NE2 3.46Å
359	Q	95.2	Very high	92.7	Very high	135 Å²	135	62.5 Å²	62.5	63%	0.631	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.7	175.3	-69.3	-174	-13.1	0	0	110.4	H338	H338-Q359 WeakPolarHBondContact O-CA 3.38Å
360	L	95.3	Very high	92.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.4	-176.3	-61.1	89.8	0	0	0	109.3	H338 A340 A354 D358 V373 H375 I382 L387	H338-L360 PolarHBondContact N-O 3.22Å; H338-L360 PolarHBondContact O-N 2.84Å; A340-L360 HydrophobicContact CB-CD1 3.87Å; A354-L360 HydrophobicContact CB-CD1 4.33Å; A354-L360 HydrophobicContact CB-CD2 4.18Å; D358-L360 HydrophobicContact CB-CD1 4.28Å; D358-L360 WeakPolarHBondContact O-CD1 3.43Å; L360-V373 HydrophobicContact CB-CB 4.43Å; L360-V373 HydrophobicContact CD2-CB 4.36Å; L360-V373 HydrophobicContact CD2-CG2 3.69Å; L360-H375 HydrophobicContact CD2-CB 3.86Å; L360-H375 HydrophobicContact CG-CB 3.98Å; L360-I382 HydrophobicContact CD2-CD1 4.06Å; L360-L387 HydrophobicContact CD1-CD2 3.9Å; L360-L387 HydrophobicContact CD2-CD2 4.25Å
361	R	95.3	Very high	92.8	Very high	96 Å²	96	53.8 Å²	53.8	36%	0.362	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.6	172.2	177.7	167.9	68.8	131.5	-3.1	108.4	Y337 L363 V373 E374	Y337-R361 HydrophobicContact CE1-CB 4.22Å; R361-L363 HydrophobicContact CG-CD2 4.3Å; R361-V373 CarbonylContact O-C 3.58Å; R361-V373 WeakPolarHBondContact O-CA 3.35Å; R361-E374 HydrophobicContact CB-CB 4.39Å; R361-E374 IonicContact CZ-OE1 2.82Å; R361-E374 IonicContact CZ-OE2 3.98Å; R361-E374 PolarHBondContact N-O 3.01Å; R361-E374 IonicContact NE-OE2 3.73Å; R361-E374 PolarHBondContact NE-OE2 2.92Å; R361-E374 IonicContact NH2-OE1 3.94Å; R361-E374 PolarHBondContact NH2-OE1 3.22Å; R361-E374 IonicContact NH2-OE2 2.76Å; R361-E374 PolarHBondContact NH2-OE2 3.01Å; R361-E374 PolarHBondContact O-N 2.76Å
362	V	93.4	Very high	92.9	Very high	15 Å²	15	55 Å²	55	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.1	177.1	-177.7	0	0	0	0	109.7	Y336 H338 L365 W371 V373	Y336-V362 PolarHBondContact O-N 3.12Å; H338-V362 HydrophobicContact CB-CG2 4.12Å; H338-V362 WeakPolarHBondContact ND1-CG2 3.32Å; V362-L365 HydrophobicContact CG1-CD2 3.69Å; V362-L365 HydrophobicContact CG1-CG 3.78Å; V362-W371 HydrophobicContact CG2-CE3 4.35Å; V362-V373 HydrophobicContact CG2-CG1 4.08Å
363	L	93.6	Very high	92.9	Very high	73 Å²	73	55 Å²	55	38%	0.382	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-35	-178.8	-58.5	-177.5	0	0	0	112.5	R361 L372 E374 V379	R361-L363 HydrophobicContact CG-CD2 4.3Å; L363-L372 WeakPolarHBondContact CA-O 3.35Å; L363-L372 HydrophobicContact CB-CD2 4.26Å; L363-L372 HydrophobicContact CB-CG 4.35Å; L363-L372 PolarHBondContact N-O 2.9Å; L363-E374 HydrophobicContact CD1-CB 4.11Å; L363-E374 HydrophobicContact CD2-CB 4.41Å; L363-E374 HydrophobicContact CG-CB 4.3Å; L363-V379 HydrophobicContact CD1-CB 4.46Å; L363-V379 HydrophobicContact CD1-CG1 3.71Å; L363-V379 HydrophobicContact CD1-CG2 3.9Å
364	D	91.6	Very high	93	Very high	63 Å²	63	55.4 Å²	55.4	34%	0.337	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	137.8	174.2	-169.4	14.8	0	0	0	112.3	S366 L372	D364-S366 VanDerWaalsContact CG-OG 3.28Å; D364-S366 VanDerWaalsContact OD1-CB 3.26Å; D364-S366 WeakPolarHBondContact OD1-CB 3.36Å; D364-S366 PolarHBondContact OD1-N 2.99Å; D364-S366 PolarHBondContact OD1-OG 2.81Å; D364-S366 WeakPolarHBondContact OD2-CB 3.08Å; D364-S366 PolarHBondContact OD2-OG 3.05Å; D364-L372 HydrophobicContact CB-CB 3.82Å; D364-L372 HydrophobicContact CB-CD2 4.45Å; D364-L372 PolarHBondContact N-O 3.16Å; D364-L372 VanDerWaalsContact N-O 3.11Å; D364-L372 PolarHBondContact O-N 2.86Å
365	L	89.2	Confident	92.9	Very high	91 Å²	91	56.3 Å²	56.3	48%	0.476	29%	0.29	S	S	.	.			trans	-119	9.1	179.2	-70.4	174	0	0	0	112.1	V362 D367 W371	V362-L365 HydrophobicContact CG1-CD2 3.69Å; V362-L365 HydrophobicContact CG1-CG 3.78Å; L365-D367 PolarHBondContact O-N 2.78Å; L365-W371 HydrophobicContact CD2-CD2 3.36Å; L365-W371 HydrophobicContact CD2-CE3 3.72Å; L365-W371 HydrophobicContact CD2-CG 3.8Å; L365-W371 HydrophobicContact CD2-CH2 4.04Å; L365-W371 HydrophobicContact CD2-CZ2 3.7Å; L365-W371 HydrophobicContact CD2-CZ3 4.05Å
366	S	88.5	Confident	92.7	Very high	97 Å²	97	53.9 Å²	53.9	68%	0.678	30%	0.297	S	S	*	.	S	Bend	trans	-61.9	-24.9	-179.9	69.6	0	0	0	0	113.8	D364	D364-S366 VanDerWaalsContact CG-OG 3.28Å; D364-S366 VanDerWaalsContact OD1-CB 3.26Å; D364-S366 WeakPolarHBondContact OD1-CB 3.36Å; D364-S366 PolarHBondContact OD1-N 2.99Å; D364-S366 PolarHBondContact OD1-OG 2.81Å; D364-S366 WeakPolarHBondContact OD2-CB 3.08Å; D364-S366 PolarHBondContact OD2-OG 3.05Å
367	D	86.5	Confident	92.6	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.064	31%	0.311	C	S	.	.	S	Bend	trans	-99.2	131.3	178.6	-165.5	-57.7	0	0	0	110	L365 E369 W370 W371 R508 R511	L365-D367 PolarHBondContact O-N 2.78Å; D367-E369 VanDerWaalsContact C-N 3.33Å; D367-E369 PolarHBondContact O-N 2.69Å; D367-E369 PolarHBondContact OD1-N 2.63Å; D367-W370 WeakPolarHBondContact CB-O 3.46Å; D367-W370 PolarHBondContact OD1-N 2.7Å; D367-W371 PolarHBondContact O-NE1 2.8Å; D367-R508 IonicContact OD2-NE 3.73Å; D367-R508 PolarHBondContact OD2-NE 3.19Å; D367-R511 IonicContact OD1-CZ 2.91Å; D367-R511 IonicContact OD1-NH1 3.76Å; D367-R511 PolarHBondContact OD1-NH1 3.37Å; D367-R511 IonicContact OD2-CZ 3.98Å; D367-R511 IonicContact OD2-NH1 3.12Å; D367-R511 PolarHBondContact OD2-NH1 2.93Å; D367-R511 IonicContact OD2-NH2 3.45Å; D367-R511 PolarHBondContact OD2-NH2 2.8Å
368	S	85.7	Confident	92.5	Very high	54 Å²	54	56.1 Å²	56.1	38%	0.378	32%	0.315	S	S	.	.	S	Bend	trans	-72.8	-24.3	-177.2	49.9	0	0	0	0	114	S384	S368-S384 PolarHBondContact O-OG 3.32Å
369	E	86.7	Confident	92.5	Very high	34 Å²	34	57.9 Å²	57.9	16%	0.159	33%	0.327	C	S	.	.	S	Bend	trans	-120.4	-23.1	-168.1	-70.1	175.8	112.6	0	0	113.4	D367 P383 S384 T504	D367-E369 VanDerWaalsContact C-N 3.33Å; D367-E369 PolarHBondContact O-N 2.69Å; D367-E369 PolarHBondContact OD1-N 2.63Å; E369-P383 CarbonylContact O-C 3.5Å; E369-P383 VanDerWaalsContact O-CA 3.25Å; E369-P383 WeakPolarHBondContact O-CA 3.22Å; E369-S384 WeakPolarHBondContact CA-OG 3.48Å; E369-S384 PolarHBondContact O-N 3.19Å; E369-S384 PolarHBondContact O-OG 3.33Å; E369-T504 WeakPolarHBondContact OE1-CB 3Å; E369-T504 WeakPolarHBondContact OE1-CG2 3.34Å; E369-T504 PolarHBondContact OE1-OG1 3.45Å
370	W	91.2	Very high	92.5	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.011	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	91.6	-176	-68.4	90.6	0	0	0	111.7	E351 D367 Y381 I382 P383 P503 S507 R508	E351-W370 HydrophobicContact CG-CZ3 4.02Å; D367-W370 WeakPolarHBondContact CB-O 3.46Å; D367-W370 PolarHBondContact OD1-N 2.7Å; W370-Y381 HydrophobicContact CB-CD1 4.45Å; W370-Y381 WeakPolarHBondContact O-CD1 3.32Å; W370-I382 CarbonylContact C-O 3.53Å; W370-P383 HydrophobicContact CE3-CG 4.04Å; W370-P383 HydrophobicContact CH2-CG 3.82Å; W370-P383 HydrophobicContact CZ2-CG 4.35Å; W370-P383 HydrophobicContact CZ3-CG 3.66Å; W370-P503 HydrophobicContact CZ2-CB 4.33Å; W370-S507 VanDerWaalsContact CZ2-C 3.49Å; W370-S507 VanDerWaalsContact CZ2-CA 3.5Å; W370-R508 HydrophobicContact CB-CB 3.68Å; W370-R508 HydrophobicContact CB-CG 3.68Å; W370-R508 HydrophobicContact CD2-CB 3.77Å; W370-R508 VanDerWaalsContact CE2-N 3.35Å; W370-R508 HydrophobicContact CE3-CB 4.2Å; W370-R508 HydrophobicContact CG-CB 3.53Å; W370-R508 HydrophobicContact CG-CG 3.93Å
371	W	93.7	Very high	92.5	Very high	28 Å²	28	53.6 Å²	53.6	11%	0.106	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	139.3	-177.1	-64.8	-12.2	0	0	0	111.5	V294 H338 V362 L365 D367 V373 Y381 I382 L387	V294-W371 HydrophobicContact CG1-CZ2 4.41Å; H338-W371 AromaticContact CD2-CZ3 3.75Å; H338-W371 AromaticContact NE2-CZ3 3.82Å; V362-W371 HydrophobicContact CG2-CE3 4.35Å; L365-W371 HydrophobicContact CD2-CD2 3.36Å; L365-W371 HydrophobicContact CD2-CE3 3.72Å; L365-W371 HydrophobicContact CD2-CG 3.8Å; L365-W371 HydrophobicContact CD2-CH2 4.04Å; L365-W371 HydrophobicContact CD2-CZ2 3.7Å; L365-W371 HydrophobicContact CD2-CZ3 4.05Å; D367-W371 PolarHBondContact O-NE1 2.8Å; W371-V373 HydrophobicContact CB-CG1 4.27Å; W371-Y381 WeakPolarHBondContact O-CA 3.11Å; W371-I382 PolarHBondContact N-O 2.92Å; W371-I382 PolarHBondContact O-N 2.92Å; W371-L387 HydrophobicContact CE3-CD1 3.88Å; W371-L387 HydrophobicContact CZ3-CB 4.38Å; W371-L387 HydrophobicContact CZ3-CD1 4.47Å
372	L	95.2	Very high	92.5	Very high	41 Å²	41	49 Å²	49	22%	0.215	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125	171.3	-171	73.3	0	0	0	108.1	L363 D364 V379 Y381	L363-L372 WeakPolarHBondContact CA-O 3.35Å; L363-L372 HydrophobicContact CB-CD2 4.26Å; L363-L372 HydrophobicContact CB-CG 4.35Å; L363-L372 PolarHBondContact N-O 2.9Å; D364-L372 HydrophobicContact CB-CB 3.82Å; D364-L372 HydrophobicContact CB-CD2 4.45Å; D364-L372 PolarHBondContact N-O 3.16Å; D364-L372 VanDerWaalsContact N-O 3.11Å; D364-L372 PolarHBondContact O-N 2.86Å; L372-V379 HydrophobicContact CD1-CG1 4.01Å; L372-V379 HydrophobicContact CD2-CG1 4.35Å; L372-V379 HydrophobicContact CG-CG1 4.14Å; L372-Y381 HydrophobicContact CB-CD1 4.12Å; L372-Y381 HydrophobicContact CB-CE1 3.83Å; L372-Y381 HydrophobicContact CD1-CD1 4.1Å; L372-Y381 HydrophobicContact CD1-CD2 4.39Å; L372-Y381 HydrophobicContact CD1-CE1 3.88Å; L372-Y381 HydrophobicContact CD1-CE2 4.19Å; L372-Y381 HydrophobicContact CD1-CG 4.34Å; L372-Y381 HydrophobicContact CG-CE1 4.44Å
373	V	95.5	Very high	92.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	158.8	-176.2	-55.6	0	0	0	0	111.5	V352 L360 R361 V362 W371 V379 G380 I382 L387	V352-V373 HydrophobicContact CG1-CG2 3.52Å; L360-V373 HydrophobicContact CB-CB 4.43Å; L360-V373 HydrophobicContact CD2-CB 4.36Å; L360-V373 HydrophobicContact CD2-CG2 3.69Å; R361-V373 CarbonylContact O-C 3.58Å; R361-V373 WeakPolarHBondContact O-CA 3.35Å; V362-V373 HydrophobicContact CG2-CG1 4.08Å; W371-V373 HydrophobicContact CB-CG1 4.27Å; V373-V379 WeakPolarHBondContact O-CA 3.35Å; V373-G380 PolarHBondContact N-O 2.99Å; V373-G380 PolarHBondContact O-N 3.11Å; V373-G380 VanDerWaalsContact O-N 3.07Å; V373-I382 HydrophobicContact CB-CG2 4.36Å; V373-I382 HydrophobicContact CG1-CG2 3.74Å; V373-I382 HydrophobicContact CG2-CB 4.27Å; V373-I382 HydrophobicContact CG2-CG2 3.61Å; V373-L387 HydrophobicContact CG1-CD1 4.05Å
374	E	96.1	Very high	92.4	Very high	63 Å²	63	45.9 Å²	45.9	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.9	165.9	-176.7	-173.2	-113.2	0	0	109.2	R361 L363 Q378 V379	R361-E374 HydrophobicContact CB-CB 4.39Å; R361-E374 IonicContact CZ-OE1 2.82Å; R361-E374 IonicContact CZ-OE2 3.98Å; R361-E374 PolarHBondContact N-O 3.01Å; R361-E374 IonicContact NE-OE2 3.73Å; R361-E374 PolarHBondContact NE-OE2 2.92Å; R361-E374 IonicContact NH2-OE1 3.94Å; R361-E374 PolarHBondContact NH2-OE1 3.22Å; R361-E374 IonicContact NH2-OE2 2.76Å; R361-E374 PolarHBondContact NH2-OE2 3.01Å; R361-E374 PolarHBondContact O-N 2.76Å; L363-E374 HydrophobicContact CD1-CB 4.11Å; L363-E374 HydrophobicContact CD2-CB 4.41Å; L363-E374 HydrophobicContact CG-CB 4.3Å; E374-Q378 CarbonylContact C-O 3.59Å; E374-Q378 VanDerWaalsContact CA-O 3.31Å; E374-Q378 WeakPolarHBondContact CA-O 3.42Å; E374-V379 HydrophobicContact CB-CG2 4.15Å; E374-V379 HydrophobicContact CG-CG2 4.17Å
375	H	95.2	Very high	92.3	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.102	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	130.2	173.4	-179.8	-134.4	0	0	0	110.2	V352 S353 D358 L360 G377 Q378	V352-H375 HydrophobicContact CG2-CB 4.07Å; S353-H375 PolarHBondContact O-ND1 2.88Å; D358-H375 IonicContact OD2-CE1 2.75Å; D358-H375 PolarHBondContact OD2-CE1 3.05Å; D358-H375 IonicContact OD2-NE2 3.15Å; D358-H375 PolarHBondContact OD2-NE2 3.46Å; L360-H375 HydrophobicContact CD2-CB 3.86Å; L360-H375 HydrophobicContact CG-CB 3.98Å; H375-G377 PolarHBondContact O-N 3.09Å; H375-Q378 PolarHBondContact N-O 2.93Å; H375-Q378 PolarHBondContact O-N 3.22Å
376	S	92.4	Very high	92.5	Very high	105 Å²	105	41.6 Å²	41.6	73%	0.734	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	32.7	177.4	-66.9	0	0	0	0	114.9	Q378	S376-Q378 VanDerWaalsContact C-N 3.29Å; S376-Q378 PolarHBondContact O-N 3.04Å
377	G	91.9	Very high	92.8	Very high	72 Å²	72	37.2 Å²	37.2	74%	0.742	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	0.9	-178.2	0	0	0	0	0	115.3	H375	H375-G377 PolarHBondContact O-N 3.09Å
378	Q	94.4	Very high	93.1	Very high	126 Å²	126	36.8 Å²	36.8	59%	0.589	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	148	170.1	-60	-178.8	1	0	0	109.7	V352 E374 H375 S376	V352-Q378 HydrophobicContact CG2-CB 4.02Å; E374-Q378 CarbonylContact C-O 3.59Å; E374-Q378 VanDerWaalsContact CA-O 3.31Å; E374-Q378 WeakPolarHBondContact CA-O 3.42Å; H375-Q378 PolarHBondContact N-O 2.93Å; H375-Q378 PolarHBondContact O-N 3.22Å; S376-Q378 VanDerWaalsContact C-N 3.29Å; S376-Q378 PolarHBondContact O-N 3.04Å
379	V	96.2	Very high	93.5	Very high	85 Å²	85	38.4 Å²	38.4	52%	0.515	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.7	174.3	172.5	0	0	0	0	108.4	L363 L372 V373 E374	L363-V379 HydrophobicContact CD1-CB 4.46Å; L363-V379 HydrophobicContact CD1-CG1 3.71Å; L363-V379 HydrophobicContact CD1-CG2 3.9Å; L372-V379 HydrophobicContact CD1-CG1 4.01Å; L372-V379 HydrophobicContact CD2-CG1 4.35Å; L372-V379 HydrophobicContact CG-CG1 4.14Å; V373-V379 WeakPolarHBondContact O-CA 3.35Å; E374-V379 HydrophobicContact CB-CG2 4.15Å; E374-V379 HydrophobicContact CG-CG2 4.17Å
380	G	95.7	Very high	93.7	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	175.4	-177.5	0	0	0	0	0	112.1	E350 V373	E350-G380 CarbonylContact O-C 3.5Å; E350-G380 VanDerWaalsContact O-CA 3.27Å; E350-G380 WeakPolarHBondContact O-CA 3.3Å; V373-G380 PolarHBondContact N-O 2.99Å; V373-G380 PolarHBondContact O-N 3.11Å; V373-G380 VanDerWaalsContact O-N 3.07Å
381	Y	94.5	Very high	93.5	Very high	42 Å²	42	45.2 Å²	45.2	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	147.9	177	-67	-72.7	0	0	0	112.1	E350 E351 V352 W370 W371 L372 R508	E350-Y381 HydrophobicContact CB-CD2 4.26Å; E350-Y381 WeakPolarHBondContact O-CD2 3.25Å; E350-Y381 PolarHBondContact O-N 3.44Å; E351-Y381 CarbonylContact C-O 3.58Å; E351-Y381 WeakPolarHBondContact CA-O 3.34Å; V352-Y381 PolarHBondContact N-O 3.43Å; W370-Y381 HydrophobicContact CB-CD1 4.45Å; W370-Y381 WeakPolarHBondContact O-CD1 3.32Å; W371-Y381 WeakPolarHBondContact O-CA 3.11Å; L372-Y381 HydrophobicContact CB-CD1 4.12Å; L372-Y381 HydrophobicContact CB-CE1 3.83Å; L372-Y381 HydrophobicContact CD1-CD1 4.1Å; L372-Y381 HydrophobicContact CD1-CD2 4.39Å; L372-Y381 HydrophobicContact CD1-CE1 3.88Å; L372-Y381 HydrophobicContact CD1-CE2 4.19Å; L372-Y381 HydrophobicContact CD1-CG 4.34Å; L372-Y381 HydrophobicContact CG-CE1 4.44Å; Y381-R508 VanDerWaalsContact CD1-CD 3.47Å; Y381-R508 PolarHBondContact OH-NH1 3.41Å
382	I	94.2	Very high	93.4	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146	169.4	-168.9	164.7	0	0	0	109	Y344 A354 L360 W370 W371 V373 S384 L387	Y344-I382 HydrophobicContact CD1-CD1 3.82Å; Y344-I382 HydrophobicContact CD1-CG1 3.6Å; Y344-I382 HydrophobicContact CE1-CG1 4.02Å; Y344-I382 HydrophobicContact CG-CD1 4.23Å; Y344-I382 HydrophobicContact CG-CG1 4.08Å; A354-I382 HydrophobicContact CB-CD1 3.94Å; L360-I382 HydrophobicContact CD2-CD1 4.06Å; W370-I382 CarbonylContact C-O 3.53Å; W371-I382 PolarHBondContact N-O 2.92Å; W371-I382 PolarHBondContact O-N 2.92Å; V373-I382 HydrophobicContact CB-CG2 4.36Å; V373-I382 HydrophobicContact CG1-CG2 3.74Å; V373-I382 HydrophobicContact CG2-CB 4.27Å; V373-I382 HydrophobicContact CG2-CG2 3.61Å; I382-S384 PolarHBondContact O-N 3.47Å; I382-L387 HydrophobicContact CD1-CD2 4.34Å; I382-L387 HydrophobicContact CG2-CD1 3.65Å; I382-L387 HydrophobicContact CG2-CG 4.17Å
383	P	92.7	Very high	93.2	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.019	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	129	176.2	-23.8	33.6	0	0	0	111.7	Y344 E369 W370 S385 Y386 P503	Y344-P383 HydrophobicContact CD2-CG 4.29Å; Y344-P383 HydrophobicContact CE2-CG 3.79Å; E369-P383 CarbonylContact O-C 3.5Å; E369-P383 VanDerWaalsContact O-CA 3.25Å; E369-P383 WeakPolarHBondContact O-CA 3.22Å; W370-P383 HydrophobicContact CE3-CG 4.04Å; W370-P383 HydrophobicContact CH2-CG 3.82Å; W370-P383 HydrophobicContact CZ2-CG 4.35Å; W370-P383 HydrophobicContact CZ3-CG 3.66Å; P383-S385 PolarHBondContact O-N 3.23Å; P383-S385 VanDerWaalsContact O-N 3.12Å; P383-Y386 HydrophobicContact CB-CD2 3.81Å; P383-Y386 HydrophobicContact CB-CE2 4.34Å; P383-Y386 HydrophobicContact CG-CD2 4.21Å; P383-Y386 HydrophobicContact CG-CE2 4.44Å; P383-Y386 WeakPolarHBondContact O-CB 3.44Å; P383-Y386 PolarHBondContact O-N 3.39Å; P383-P503 HydrophobicContact CG-CG 4.21Å
384	S	92.3	Very high	92.9	Very high	20 Å²	20	47.9 Å²	47.9	14%	0.14	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-59.2	-27.5	-178.8	64.6	0	0	0	0	112.8	S368 E369 I382 Y386 L387	S368-S384 PolarHBondContact O-OG 3.32Å; E369-S384 WeakPolarHBondContact CA-OG 3.48Å; E369-S384 PolarHBondContact O-N 3.19Å; E369-S384 PolarHBondContact O-OG 3.33Å; I382-S384 PolarHBondContact O-N 3.47Å; S384-Y386 PolarHBondContact O-N 2.82Å; S384-L387 PolarHBondContact O-N 2.89Å
385	S	91	Very high	92.8	Very high	38 Å²	38	46.2 Å²	46.2	27%	0.266	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-69.8	-13.7	176	58.9	0	0	0	0	114.8	P383	P383-S385 PolarHBondContact O-N 3.23Å; P383-S385 VanDerWaalsContact O-N 3.12Å
386	Y	93.7	Very high	92.8	Very high	25 Å²	25	47.4 Å²	47.4	10%	0.098	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-91.1	-4.6	174.3	-80	-116.2	0	0	0	113.1	A340 I341 F342 D343 Y344 P383 S384 P501 P503	A340-Y386 WeakPolarHBondContact CA-O 3.29Å; I341-Y386 WeakPolarHBondContact CG1-O 3.05Å; I341-Y386 PolarHBondContact N-O 3.34Å; F342-Y386 HydrophobicContact CB-CD1 3.77Å; F342-Y386 HydrophobicContact CB-CE1 4.01Å; F342-Y386 HydrophobicContact CD2-CD1 4.24Å; F342-Y386 HydrophobicContact CD2-CG 4.39Å; F342-Y386 HydrophobicContact CG-CD1 4.45Å; D343-Y386 WeakPolarHBondContact O-CE1 3.37Å; Y344-Y386 HydrophobicContact CD2-CD1 4.17Å; Y344-Y386 AromaticContact CD2-CE1 3.98Å; Y344-Y386 HydrophobicContact CD2-CE1 3.98Å; Y344-Y386 HydrophobicContact CG-CD1 4.32Å; Y344-Y386 HydrophobicContact CG-CE1 4.48Å; P383-Y386 HydrophobicContact CB-CD2 3.81Å; P383-Y386 HydrophobicContact CB-CE2 4.34Å; P383-Y386 HydrophobicContact CG-CD2 4.21Å; P383-Y386 HydrophobicContact CG-CE2 4.44Å; P383-Y386 WeakPolarHBondContact O-CB 3.44Å; P383-Y386 PolarHBondContact O-N 3.39Å; S384-Y386 PolarHBondContact O-N 2.82Å; Y386-P501 HydrophobicContact CD2-CG 3.88Å; Y386-P501 HydrophobicContact CE2-CG 3.82Å; Y386-P501 WeakPolarHBondContact CE2-O 3.39Å; Y386-P501 PolarHBondContact OH-O 3.16Å; Y386-P503 HydrophobicContact CE2-CG 4.24Å
387	L	93.9	Very high	92.9	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	150.7	-178.2	-62	-177.3	0	0	0	112.1	H338 V339 A340 L360 W371 V373 I382 S384	H338-L387 HydrophobicContact CB-CB 4.35Å; H338-L387 HydrophobicContact CB-CD1 4.38Å; V339-L387 WeakPolarHBondContact O-CA 3.46Å; A340-L387 HydrophobicContact CB-CD2 4.38Å; L360-L387 HydrophobicContact CD1-CD2 3.9Å; L360-L387 HydrophobicContact CD2-CD2 4.25Å; W371-L387 HydrophobicContact CE3-CD1 3.88Å; W371-L387 HydrophobicContact CZ3-CB 4.38Å; W371-L387 HydrophobicContact CZ3-CD1 4.47Å; V373-L387 HydrophobicContact CG1-CD1 4.05Å; I382-L387 HydrophobicContact CD1-CD2 4.34Å; I382-L387 HydrophobicContact CG2-CD1 3.65Å; I382-L387 HydrophobicContact CG2-CG 4.17Å; S384-L387 PolarHBondContact O-N 2.89Å
388	A	93.6	Very high	93	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.1	164.5	0	0	0	0	0	109.6	H338 V339 I341 A390 E394 A395	H338-A388 CarbonylContact C-O 3.6Å; H338-A388 VanDerWaalsContact CA-O 3.26Å; H338-A388 WeakPolarHBondContact CA-O 3.49Å; H338-A388 WeakPolarHBondContact CB-O 3.37Å; V339-A388 HydrophobicContact CG1-CB 4.33Å; V339-A388 PolarHBondContact N-O 2.69Å; V339-A388 PolarHBondContact O-N 2.84Å; I341-A388 HydrophobicContact CG2-CB 3.67Å; A388-A390 PolarHBondContact O-N 3.36Å; A388-E394 HydrophobicContact CB-CB 3.92Å; A388-A395 HydrophobicContact CB-CB 3.98Å
389	Q	92.7	Very high	93.1	Very high	89 Å²	89	38 Å²	38	42%	0.416	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	134.8	172.2	-172.4	-176.8	31.4	0	0	109.3	N391 S392	Q389-N391 PolarHBondContact O-N 3.41Å; Q389-S392 VanDerWaalsContact O-CB 3.29Å; Q389-S392 WeakPolarHBondContact O-CB 3.49Å; Q389-S392 PolarHBondContact O-N 2.67Å; Q389-S392 VanDerWaalsContact O-N 3.09Å; Q389-S392 PolarHBondContact O-OG 3.03Å
390	A	91.1	Very high	93	Very high	20 Å²	20	34.8 Å²	34.8	17%	0.165	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	135.4	-178	0	0	0	0	0	111.4	Y337 A388 S392	Y337-A390 VanDerWaalsContact O-CB 3.27Å; Y337-A390 WeakPolarHBondContact O-CB 3.3Å; Y337-A390 PolarHBondContact O-N 3.01Å; Y337-A390 VanDerWaalsContact O-N 3.09Å; A388-A390 PolarHBondContact O-N 3.36Å; A390-S392 PolarHBondContact O-N 3.09Å
391	N	86.7	Confident	92.4	Very high	160 Å²	160	40.8 Å²	40.8	86%	0.856	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	3.3	-174.9	-40.6	-72.4	0	0	0	116.2	Q389	Q389-N391 PolarHBondContact O-N 3.41Å
392	S	91.5	Very high	91.9	Very high	24 Å²	24	43.6 Å²	43.6	17%	0.168	24%	0.235	C	C	.	.	S	Bend	trans	-72.3	159.5	168.8	72	0	0	0	0	111.6	Q389 A390 E394 A395	Q389-S392 VanDerWaalsContact O-CB 3.29Å; Q389-S392 WeakPolarHBondContact O-CB 3.49Å; Q389-S392 PolarHBondContact O-N 2.67Å; Q389-S392 VanDerWaalsContact O-N 3.09Å; Q389-S392 PolarHBondContact O-OG 3.03Å; A390-S392 PolarHBondContact O-N 3.09Å; S392-E394 PolarHBondContact O-N 3.22Å; S392-E394 VanDerWaalsContact O-N 3.13Å; S392-E394 PolarHBondContact OG-N 3.02Å; S392-A395 WeakPolarHBondContact O-CB 3.2Å; S392-A395 PolarHBondContact O-N 2.9Å
393	V	91.2	Very high	91.7	Very high	47 Å²	47	45 Å²	45	29%	0.285	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-61.2	-19.5	172	72.2	0	0	0	0	112.6	A395 E396 W398 Y399 L474	V393-A395 VanDerWaalsContact C-N 3.26Å; V393-A395 PolarHBondContact O-N 2.72Å; V393-E396 WeakPolarHBondContact O-CB 3.5Å; V393-E396 PolarHBondContact O-N 2.92Å; V393-E396 VanDerWaalsContact O-N 3.17Å; V393-W398 HydrophobicContact CG2-CH2 3.68Å; V393-W398 HydrophobicContact CG2-CZ3 3.96Å; V393-Y399 HydrophobicContact CG1-CD1 4.22Å; V393-Y399 HydrophobicContact CG1-CD2 4.32Å; V393-Y399 HydrophobicContact CG1-CE1 4.05Å; V393-Y399 HydrophobicContact CG1-CE2 4.18Å; V393-Y399 HydrophobicContact CG1-CG 4.33Å; V393-Y399 HydrophobicContact CG2-CD2 3.79Å; V393-Y399 HydrophobicContact CG2-CE2 4.33Å; V393-Y399 HydrophobicContact CG2-CG 3.92Å; V393-Y399 VanDerWaalsContact O-CB 3.25Å; V393-Y399 WeakPolarHBondContact O-CB 3.48Å; V393-L474 HydrophobicContact CG2-CD1 3.99Å
394	E	90.9	Very high	91.6	Very high	53 Å²	53	46.3 Å²	46.3	25%	0.248	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-72.5	-22.7	-178.8	-46.8	-159.2	119.8	0	0	112.8	A388 S392 E396 Y399 R401 R498	A388-E394 HydrophobicContact CB-CB 3.92Å; S392-E394 PolarHBondContact O-N 3.22Å; S392-E394 VanDerWaalsContact O-N 3.13Å; S392-E394 PolarHBondContact OG-N 3.02Å; E394-E396 VanDerWaalsContact C-N 3.31Å; E394-Y399 HydrophobicContact CG-CD1 4.41Å; E394-Y399 HydrophobicContact CG-CE1 4.13Å; E394-R401 IonicContact OE1-CZ 2.63Å; E394-R401 VanDerWaalsContact OE1-CZ 3.31Å; E394-R401 IonicContact OE1-NE 2.8Å; E394-R401 PolarHBondContact OE1-NE 2.91Å; E394-R401 IonicContact OE1-NH2 3.33Å; E394-R401 PolarHBondContact OE1-NH2 2.87Å; E394-R401 VanDerWaalsContact OE1-NH2 3.1Å; E394-R401 IonicContact OE2-CZ 2.69Å; E394-R401 IonicContact OE2-NE 3.82Å; E394-R401 IonicContact OE2-NH2 3.99Å; E394-R401 PolarHBondContact OE2-NH2 2.74Å; E394-R498 PolarHBondContact O-NH1 3.01Å
395	A	93.3	Very high	91.5	Very high	29 Å²	29	49.6 Å²	49.6	24%	0.24	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-76.8	-13.4	172.9	0	0	0	0	0	113.6	V339 A388 S392 V393	V339-A395 HydrophobicContact CG1-CB 3.65Å; A388-A395 HydrophobicContact CB-CB 3.98Å; S392-A395 WeakPolarHBondContact O-CB 3.2Å; S392-A395 PolarHBondContact O-N 2.9Å; V393-A395 VanDerWaalsContact C-N 3.26Å; V393-A395 PolarHBondContact O-N 2.72Å
396	E	94.5	Very high	91.5	Very high	47 Å²	47	48.6 Å²	48.6	22%	0.22	25%	0.252	C	S	.	.	S	Bend	trans	-80.9	126.9	-179.9	-68.4	-74.7	148.7	0	0	111.3	V393 E394 W398 Y399 K475 R498	V393-E396 WeakPolarHBondContact O-CB 3.5Å; V393-E396 PolarHBondContact O-N 2.92Å; V393-E396 VanDerWaalsContact O-N 3.17Å; E394-E396 VanDerWaalsContact C-N 3.31Å; E396-W398 HydrophobicContact CB-CD2 4.08Å; E396-W398 HydrophobicContact CB-CH2 4.3Å; E396-W398 HydrophobicContact CB-CZ2 3.66Å; E396-W398 HydrophobicContact CG-CH2 4.3Å; E396-W398 HydrophobicContact CG-CZ2 3.58Å; E396-W398 PolarHBondContact O-N 3.15Å; E396-W398 PolarHBondContact OE2-NE1 3.12Å; E396-Y399 PolarHBondContact O-N 2.91Å; E396-K475 VanDerWaalsContact OE1-CE 3.28Å; E396-K475 WeakPolarHBondContact OE1-CE 3.38Å; E396-K475 IonicContact OE1-NZ 3.61Å; E396-K475 PolarHBondContact OE1-NZ 3.17Å; E396-R498 PolarHBondContact O-NH2 3.02Å
397	D	94.1	Very high	91.3	Very high	64 Å²	64	49.4 Å²	49.4	34%	0.342	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.3	-173.6	-91	-16.2	0	0	0	115.1	K356 P495 R498	K356-D397 VanDerWaalsContact CE-OD1 3.28Å; K356-D397 WeakPolarHBondContact CE-OD1 3.48Å; K356-D397 IonicContact NZ-OD1 2.76Å; K356-D397 PolarHBondContact NZ-OD1 2.96Å; K356-D397 IonicContact NZ-OD2 2.99Å; K356-D397 PolarHBondContact NZ-OD2 2.93Å; D397-P495 HydrophobicContact CB-CB 4.15Å; D397-P495 HydrophobicContact CB-CG 4.23Å; D397-R498 PolarHBondContact O-NH2 3.29Å
398	W	95.6	Very high	91.3	Very high	13 Å²	13	49.1 Å²	49.1	5%	0.049	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.2	179.1	46.2	-92.7	0	0	0	114.4	V393 E396 F422 L423 V424 L474 K475 V478 P495	V393-W398 HydrophobicContact CG2-CH2 3.68Å; V393-W398 HydrophobicContact CG2-CZ3 3.96Å; E396-W398 HydrophobicContact CB-CD2 4.08Å; E396-W398 HydrophobicContact CB-CH2 4.3Å; E396-W398 HydrophobicContact CB-CZ2 3.66Å; E396-W398 HydrophobicContact CG-CH2 4.3Å; E396-W398 HydrophobicContact CG-CZ2 3.58Å; E396-W398 PolarHBondContact O-N 3.15Å; E396-W398 PolarHBondContact OE2-NE1 3.12Å; W398-F422 HydrophobicContact CB-CD2 4.18Å; W398-F422 HydrophobicContact CB-CE2 3.45Å; W398-F422 VanDerWaalsContact CB-CE2 3.45Å; W398-F422 HydrophobicContact CB-CZ 3.91Å; W398-F422 HydrophobicContact CD2-CE2 4.49Å; W398-F422 AromaticContact CG-CE2 3.85Å; W398-F422 HydrophobicContact CG-CE2 3.85Å; W398-F422 HydrophobicContact CG-CZ 4.19Å; W398-L423 CarbonylContact O-C 3.59Å; W398-L423 WeakPolarHBondContact O-CA 3.39Å; W398-V424 HydrophobicContact CE3-CB 3.85Å; W398-V424 HydrophobicContact CE3-CG2 3.65Å; W398-V424 HydrophobicContact CZ3-CB 4.06Å; W398-V424 HydrophobicContact CZ3-CG2 3.92Å; W398-V424 PolarHBondContact O-N 3.05Å; W398-L474 HydrophobicContact CH2-CB 3.8Å; W398-L474 HydrophobicContact CZ3-CB 4.22Å; W398-K475 HydrophobicContact CZ2-CB 4.4Å; W398-V478 HydrophobicContact CD2-CG1 4.43Å; W398-V478 HydrophobicContact CD2-CG2 3.99Å; W398-V478 HydrophobicContact CE3-CG2 3.95Å; W398-V478 HydrophobicContact CG-CG1 4.48Å; W398-V478 HydrophobicContact CH2-CG2 4.15Å; W398-V478 HydrophobicContact CZ2-CB 4.47Å; W398-V478 HydrophobicContact CZ2-CG2 4.2Å; W398-V478 HydrophobicContact CZ3-CG2 4.03Å; W398-P495 HydrophobicContact CB-CB 4.02Å; W398-P495 HydrophobicContact CB-CG 4.14Å
399	Y	95.3	Very high	91.2	Very high	29 Å²	29	50.8 Å²	50.8	11%	0.114	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105.2	-175.7	-174.6	-97.7	0	0	0	114.4	V393 E394 E396 R401 V424 L434 R498	V393-Y399 HydrophobicContact CG1-CD1 4.22Å; V393-Y399 HydrophobicContact CG1-CD2 4.32Å; V393-Y399 HydrophobicContact CG1-CE1 4.05Å; V393-Y399 HydrophobicContact CG1-CE2 4.18Å; V393-Y399 HydrophobicContact CG1-CG 4.33Å; V393-Y399 HydrophobicContact CG2-CD2 3.79Å; V393-Y399 HydrophobicContact CG2-CE2 4.33Å; V393-Y399 HydrophobicContact CG2-CG 3.92Å; V393-Y399 VanDerWaalsContact O-CB 3.25Å; V393-Y399 WeakPolarHBondContact O-CB 3.48Å; E394-Y399 HydrophobicContact CG-CD1 4.41Å; E394-Y399 HydrophobicContact CG-CE1 4.13Å; E396-Y399 PolarHBondContact O-N 2.91Å; Y399-R401 HydrophobicContact CE1-CB 4Å; Y399-R401 PolarHBondContact O-N 2.66Å; Y399-V424 HydrophobicContact CD2-CB 4.39Å; Y399-V424 HydrophobicContact CD2-CG1 4.16Å; Y399-V424 HydrophobicContact CE2-CG1 4.48Å; Y399-L434 HydrophobicContact CE2-CD1 4.35Å; Y399-L434 HydrophobicContact CE2-CD2 4.23Å; Y399-R498 PolarHBondContact O-NH1 3.28Å; Y399-R498 PolarHBondContact O-NH2 3Å
400	F	93.7	Very high	91.1	Very high	16 Å²	16	48.6 Å²	48.6	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	81.8	-179.7	-72.3	-122.6	0	0	0	109.9	S402 I403 L411 L423 V424 R425 C496 R498	F400-S402 VanDerWaalsContact C-N 3.34Å; F400-S402 PolarHBondContact O-N 2.85Å; F400-I403 HydrophobicContact CB-CB 4.24Å; F400-I403 HydrophobicContact CB-CG2 3.53Å; F400-I403 HydrophobicContact CD1-CD1 4.06Å; F400-I403 HydrophobicContact CD1-CG2 4.35Å; F400-I403 HydrophobicContact CG-CG2 4.33Å; F400-L411 HydrophobicContact CD1-CD1 4.3Å; F400-L411 HydrophobicContact CE1-CD1 3.67Å; F400-L423 HydrophobicContact CB-CD1 4.37Å; F400-L423 HydrophobicContact CD1-CD2 4.26Å; F400-L423 HydrophobicContact CD2-CB 3.6Å; F400-L423 HydrophobicContact CD2-CD2 4.21Å; F400-L423 HydrophobicContact CD2-CG 4.34Å; F400-L423 HydrophobicContact CE1-CD2 4.24Å; F400-L423 HydrophobicContact CE2-CB 3.75Å; F400-L423 HydrophobicContact CE2-CD2 4.21Å; F400-L423 HydrophobicContact CG-CB 4.3Å; F400-L423 HydrophobicContact CG-CD1 4.47Å; F400-L423 HydrophobicContact CG-CD2 4.24Å; F400-L423 HydrophobicContact CZ-CD2 4.21Å; F400-V424 PolarHBondContact N-O 3.34Å; F400-R425 WeakPolarHBondContact O-CA 3.25Å; F400-R425 WeakPolarHBondContact O-CB 3.28Å; F400-C496 HydrophobicContact CE2-CB 4.31Å; F400-C496 HydrophobicContact CZ-CB 4.1Å; F400-C496 WeakPolarHBondContact CZ-O 3.49Å; F400-R498 HydrophobicContact CD1-CG 4.24Å; F400-R498 HydrophobicContact CE1-CB 3.99Å; F400-R498 HydrophobicContact CE1-CG 3.76Å; F400-R498 HydrophobicContact CE2-CB 4.15Å; F400-R498 HydrophobicContact CE2-CG 4.37Å; F400-R498 HydrophobicContact CZ-CB 3.59Å; F400-R498 HydrophobicContact CZ-CG 3.84Å
401	R	83.1	Confident	91.3	Very high	129 Å²	129	49.2 Å²	49.2	49%	0.487	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-25.1	-64.1	-176.1	-174.9	-166	-81.2	164.8	-5.4	114.1	E394 Y399 A426	E394-R401 IonicContact OE1-CZ 2.63Å; E394-R401 VanDerWaalsContact OE1-CZ 3.31Å; E394-R401 IonicContact OE1-NE 2.8Å; E394-R401 PolarHBondContact OE1-NE 2.91Å; E394-R401 IonicContact OE1-NH2 3.33Å; E394-R401 PolarHBondContact OE1-NH2 2.87Å; E394-R401 VanDerWaalsContact OE1-NH2 3.1Å; E394-R401 IonicContact OE2-CZ 2.69Å; E394-R401 IonicContact OE2-NE 3.82Å; E394-R401 IonicContact OE2-NH2 3.99Å; E394-R401 PolarHBondContact OE2-NH2 2.74Å; Y399-R401 HydrophobicContact CE1-CB 4Å; Y399-R401 PolarHBondContact O-N 2.66Å; R401-A426 WeakPolarHBondContact O-CB 3.36Å; R401-A426 PolarHBondContact O-N 3.3Å
402	S	84.1	Confident	91.7	Very high	102 Å²	102	41.6 Å²	41.6	71%	0.713	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.8	64.6	-173.5	61.2	0	0	0	0	112.3	F400	F400-S402 VanDerWaalsContact C-N 3.34Å; F400-S402 PolarHBondContact O-N 2.85Å
403	I	90.1	Very high	91.8	Very high	28 Å²	28	42.5 Å²	42.5	14%	0.144	21%	0.214	C	C	.	.			trans	-100.8	140.6	168.1	-167.9	170	0	0	0	110.6	F400 D407 L411 L423 R425	F400-I403 HydrophobicContact CB-CB 4.24Å; F400-I403 HydrophobicContact CB-CG2 3.53Å; F400-I403 HydrophobicContact CD1-CD1 4.06Å; F400-I403 HydrophobicContact CD1-CG2 4.35Å; F400-I403 HydrophobicContact CG-CG2 4.33Å; I403-D407 HydrophobicContact CD1-CB 3.97Å; I403-D407 HydrophobicContact CG1-CB 3.64Å; I403-L411 HydrophobicContact CD1-CD1 3.5Å; I403-L411 HydrophobicContact CD1-CG 4.21Å; I403-L423 HydrophobicContact CG2-CD1 4.17Å; I403-R425 HydrophobicContact CG2-CB 3.62Å; I403-R425 HydrophobicContact CG2-CG 4.27Å
404	S	90.4	Very high	91.8	Very high	31 Å²	31	42.5 Å²	42.5	22%	0.217	21%	0.212	C	C	.	.			trans	-68	164.2	175.4	76.3	0	0	0	0	111.8	D407 S408 E428	S404-D407 VanDerWaalsContact OG-CB 3.26Å; S404-D407 WeakPolarHBondContact OG-CB 3.2Å; S404-D407 PolarHBondContact OG-N 2.87Å; S404-D407 PolarHBondContact OG-OD2 3.15Å; S404-S408 WeakPolarHBondContact O-CB 3.45Å; S404-S408 PolarHBondContact O-N 3.04Å; S404-S408 PolarHBondContact O-OG 3.11Å; S404-E428 VanDerWaalsContact CA-OE1 3.23Å; S404-E428 WeakPolarHBondContact CA-OE1 3.42Å; S404-E428 WeakPolarHBondContact CB-OE1 3.5Å
405	R	91.6	Very high	91.7	Very high	90 Å²	90	50 Å²	50	34%	0.34	24%	0.244	S	C	.	.	H	α-helix	trans	-55	-52.9	170.5	178.6	172.4	173.4	-172.6	-6.4	110.6	S408 E409 R425 E428 H451	R405-S408 CarbonylContact O-C 3.25Å; R405-S408 WeakPolarHBondContact O-CA 3.29Å; R405-S408 WeakPolarHBondContact O-CB 3.33Å; R405-S408 PolarHBondContact O-N 3.07Å; R405-S408 VanDerWaalsContact O-N 3.13Å; R405-S408 PolarHBondContact O-OG 3.27Å; R405-E409 WeakPolarHBondContact CG-OE1 3.36Å; R405-E409 IonicContact CZ-OE1 2.67Å; R405-E409 IonicContact NE-OE1 2.77Å; R405-E409 PolarHBondContact NE-OE1 2.95Å; R405-E409 IonicContact NH2-OE1 2.63Å; R405-E409 PolarHBondContact NH2-OE1 2.7Å; R405-E409 WeakPolarHBondContact O-CG 3.35Å; R405-E409 PolarHBondContact O-N 2.62Å; R405-R425 VanDerWaalsContact CA-NH2 3.33Å; R405-R425 VanDerWaalsContact CB-NH2 3.29Å; R405-E428 WeakPolarHBondContact CB-OE2 3.48Å; R405-E428 VanDerWaalsContact N-CD 3.32Å; R405-E428 PolarHBondContact N-OE1 2.7Å; R405-E428 PolarHBondContact N-OE2 3.12Å; R405-H451 PolarHBondContact NE-CD2 2.86Å; R405-H451 PolarHBondContact NE-NE2 3.07Å
406	K	89.4	Confident	91.6	Very high	17 Å²	17	51.6 Å²	51.6	7%	0.074	26%	0.263	C	S	.	.	H	α-helix	trans	-70.5	-35.4	-173	-59.4	-70.7	177	174.7	0	111.6	E409 R410 E773 D774	K406-E409 IonicContact NZ-OE2 3.59Å; K406-E409 PolarHBondContact O-N 3.33Å; K406-R410 WeakPolarHBondContact O-CB 3.39Å; K406-R410 WeakPolarHBondContact O-CG 3.49Å; K406-R410 PolarHBondContact O-N 3.33Å; K406-E773 VanDerWaalsContact CB-OE1 3.27Å; K406-E773 WeakPolarHBondContact CB-OE1 3.39Å; K406-E773 HydrophobicContact CD-CB 4.11Å; K406-E773 WeakPolarHBondContact CE-O 3.43Å; K406-E773 HydrophobicContact CG-CB 4.06Å; K406-E773 HydrophobicContact CG-CG 4.22Å; K406-E773 PolarHBondContact NZ-O 3.05Å; K406-D774 VanDerWaalsContact CE-OD1 3.24Å; K406-D774 WeakPolarHBondContact CE-OD1 3.22Å; K406-D774 IonicContact NZ-OD1 3.23Å; K406-D774 PolarHBondContact NZ-OD1 2.96Å
407	D	89.6	Confident	91.6	Very high	42 Å²	42	50 Å²	50	23%	0.225	26%	0.256	C	S	.	.	H	α-helix	trans	-69.9	-32.4	171.1	-59.6	-48.4	0	0	0	112.4	I403 S404 R410 L411 R575	I403-D407 HydrophobicContact CD1-CB 3.97Å; I403-D407 HydrophobicContact CG1-CB 3.64Å; S404-D407 VanDerWaalsContact OG-CB 3.26Å; S404-D407 WeakPolarHBondContact OG-CB 3.2Å; S404-D407 PolarHBondContact OG-N 2.87Å; S404-D407 PolarHBondContact OG-OD2 3.15Å; D407-R410 PolarHBondContact O-N 3.05Å; D407-R410 IonicContact OD1-CZ 3.2Å; D407-R410 IonicContact OD1-NE 3.93Å; D407-R410 IonicContact OD1-NH1 4Å; D407-R410 PolarHBondContact OD1-NH1 2.93Å; D407-L411 WeakPolarHBondContact O-CG 3.39Å; D407-L411 PolarHBondContact O-N 3.46Å; D407-R575 IonicContact OD1-CZ 3.68Å; D407-R575 IonicContact OD1-NH2 3.31Å; D407-R575 PolarHBondContact OD1-NH2 2.83Å
408	S	93.7	Very high	91.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-38.7	170	77.3	0	0	0	0	112.6	S404 R405 L412 R425	S404-S408 WeakPolarHBondContact O-CB 3.45Å; S404-S408 PolarHBondContact O-N 3.04Å; S404-S408 PolarHBondContact O-OG 3.11Å; R405-S408 CarbonylContact O-C 3.25Å; R405-S408 WeakPolarHBondContact O-CA 3.29Å; R405-S408 WeakPolarHBondContact O-CB 3.33Å; R405-S408 PolarHBondContact O-N 3.07Å; R405-S408 VanDerWaalsContact O-N 3.13Å; R405-S408 PolarHBondContact O-OG 3.27Å; S408-L412 VanDerWaalsContact O-CB 3.27Å; S408-L412 WeakPolarHBondContact O-CB 3.28Å; S408-L412 WeakPolarHBondContact O-CD1 3.01Å; S408-L412 VanDerWaalsContact O-CG 3.23Å; S408-L412 WeakPolarHBondContact O-CG 3.5Å; S408-L412 PolarHBondContact O-N 3Å; S408-R425 PolarHBondContact OG-NE 2.94Å
409	E	93.3	Very high	91.7	Very high	37 Å²	37	56 Å²	56	17%	0.173	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-46.1	172.6	-68.7	173.6	-166.3	0	0	110.4	R405 K406 L412 L413 V449 H451	R405-E409 WeakPolarHBondContact CG-OE1 3.36Å; R405-E409 IonicContact CZ-OE1 2.67Å; R405-E409 IonicContact NE-OE1 2.77Å; R405-E409 PolarHBondContact NE-OE1 2.95Å; R405-E409 IonicContact NH2-OE1 2.63Å; R405-E409 PolarHBondContact NH2-OE1 2.7Å; R405-E409 WeakPolarHBondContact O-CG 3.35Å; R405-E409 PolarHBondContact O-N 2.62Å; K406-E409 IonicContact NZ-OE2 3.59Å; K406-E409 PolarHBondContact O-N 3.33Å; E409-L412 PolarHBondContact O-N 3.19Å; E409-L413 VanDerWaalsContact O-CB 3.32Å; E409-L413 WeakPolarHBondContact O-CB 3.01Å; E409-L413 VanDerWaalsContact O-CG 3.27Å; E409-L413 WeakPolarHBondContact O-CG 3.41Å; E409-L413 PolarHBondContact O-N 2.72Å; E409-V449 HydrophobicContact CG-CB 4.17Å; E409-V449 HydrophobicContact CG-CG1 4.25Å; E409-H451 IonicContact OE1-CD2 2.64Å; E409-H451 IonicContact OE1-CE1 3.58Å; E409-H451 IonicContact OE1-NE2 3.92Å; E409-H451 PolarHBondContact OE1-NE2 3.43Å
410	R	90.9	Very high	91.8	Very high	43 Å²	43	54.6 Å²	54.6	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-50	176	-70.7	164.3	-172.4	120.9	13.3	112.3	K406 D407 L414 D619 E773	K406-R410 WeakPolarHBondContact O-CB 3.39Å; K406-R410 WeakPolarHBondContact O-CG 3.49Å; K406-R410 PolarHBondContact O-N 3.33Å; D407-R410 PolarHBondContact O-N 3.05Å; D407-R410 IonicContact OD1-CZ 3.2Å; D407-R410 IonicContact OD1-NE 3.93Å; D407-R410 IonicContact OD1-NH1 4Å; D407-R410 PolarHBondContact OD1-NH1 2.93Å; R410-L414 WeakPolarHBondContact O-CG 3.4Å; R410-L414 PolarHBondContact O-N 3.1Å; R410-D619 IonicContact CZ-OD1 2.95Å; R410-D619 IonicContact NE-OD1 2.66Å; R410-D619 PolarHBondContact NE-OD1 2.7Å; R410-D619 IonicContact NE-OD2 2.65Å; R410-D619 PolarHBondContact NE-OD2 3.13Å; R410-D619 IonicContact NH2-OD1 2.7Å; R410-D619 PolarHBondContact NH2-OD1 2.73Å; R410-E773 IonicContact CZ-OE1 2.72Å; R410-E773 IonicContact NH1-OE1 3.4Å; R410-E773 PolarHBondContact NH1-OE1 3.43Å; R410-E773 VanDerWaalsContact NH1-OE1 3.09Å; R410-E773 IonicContact NH2-OE1 2.69Å; R410-E773 PolarHBondContact NH2-OE1 3.44Å
411	L	93.3	Very high	92	Very high	32 Å²	32	53.9 Å²	53.9	17%	0.168	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-42.9	179.7	-69.3	-172.4	0	0	0	112.8	F400 I403 D407 L413 L414 N417 P499	F400-L411 HydrophobicContact CD1-CD1 4.3Å; F400-L411 HydrophobicContact CE1-CD1 3.67Å; I403-L411 HydrophobicContact CD1-CD1 3.5Å; I403-L411 HydrophobicContact CD1-CG 4.21Å; D407-L411 WeakPolarHBondContact O-CG 3.39Å; D407-L411 PolarHBondContact O-N 3.46Å; L411-L413 VanDerWaalsContact C-N 3.27Å; L411-L413 PolarHBondContact O-N 3.05Å; L411-L414 HydrophobicContact CD2-CD1 3.95Å; L411-L414 WeakPolarHBondContact O-CB 3.37Å; L411-L414 WeakPolarHBondContact O-CG 3.4Å; L411-L414 PolarHBondContact O-N 2.76Å; L411-N417 PolarHBondContact O-ND2 2.76Å; L411-N417 VanDerWaalsContact O-ND2 3.08Å; L411-P499 HydrophobicContact CD1-CG 4.26Å; L411-P499 HydrophobicContact CD2-CG 4.37Å
412	L	95.8	Very high	92.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-31.1	179.6	-74.5	170.2	0	0	0	112.4	S408 E409 T421 L423 R439 V449 C496	S408-L412 VanDerWaalsContact O-CB 3.27Å; S408-L412 WeakPolarHBondContact O-CB 3.28Å; S408-L412 WeakPolarHBondContact O-CD1 3.01Å; S408-L412 VanDerWaalsContact O-CG 3.23Å; S408-L412 WeakPolarHBondContact O-CG 3.5Å; S408-L412 PolarHBondContact O-N 3Å; E409-L412 PolarHBondContact O-N 3.19Å; L412-T421 HydrophobicContact CD2-CG2 4.1Å; L412-T421 WeakPolarHBondContact CD2-O 3.49Å; L412-L423 HydrophobicContact CD1-CD2 4.38Å; L412-L423 HydrophobicContact CD1-CG 4.36Å; L412-L423 HydrophobicContact CD2-CD2 4.42Å; L412-L423 HydrophobicContact CG-CD2 4.14Å; L412-R439 HydrophobicContact CB-CB 4.42Å; L412-R439 WeakPolarHBondContact O-CD 3.28Å; L412-R439 PolarHBondContact O-NH1 3.4Å; L412-V449 HydrophobicContact CB-CG2 3.86Å; L412-V449 HydrophobicContact CD1-CG1 3.69Å; L412-V449 HydrophobicContact CD1-CG2 4.32Å; L412-C496 HydrophobicContact CD2-CB 3.8Å
413	L	93	Very high	93.4	Very high	44 Å²	44	43 Å²	43	23%	0.23	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.4	178.2	-66.9	174.3	0	0	0	114.9	E409 L411 R439 E447 V449	E409-L413 VanDerWaalsContact O-CB 3.32Å; E409-L413 WeakPolarHBondContact O-CB 3.01Å; E409-L413 VanDerWaalsContact O-CG 3.27Å; E409-L413 WeakPolarHBondContact O-CG 3.41Å; E409-L413 PolarHBondContact O-N 2.72Å; L411-L413 VanDerWaalsContact C-N 3.27Å; L411-L413 PolarHBondContact O-N 3.05Å; L413-R439 VanDerWaalsContact C-NH1 3.3Å; L413-R439 PolarHBondContact O-NH1 3.45Å; L413-E447 HydrophobicContact CD2-CB 3.82Å; L413-V449 HydrophobicContact CD1-CG2 4.36Å; L413-V449 HydrophobicContact CD2-CG2 4.06Å; L413-V449 HydrophobicContact CG-CG2 3.88Å
414	L	91.3	Very high	93.8	Very high	46 Å²	46	41.8 Å²	41.8	24%	0.241	21%	0.208	C	C	.	.	S	Bend	trans	-57.9	149.6	174.4	-66.5	179.4	0	0	0	112.5	R410 L411 N417 R439 N651	R410-L414 WeakPolarHBondContact O-CG 3.4Å; R410-L414 PolarHBondContact O-N 3.1Å; L411-L414 HydrophobicContact CD2-CD1 3.95Å; L411-L414 WeakPolarHBondContact O-CB 3.37Å; L411-L414 WeakPolarHBondContact O-CG 3.4Å; L411-L414 PolarHBondContact O-N 2.76Å; L414-N417 PolarHBondContact O-N 2.83Å; L414-R439 PolarHBondContact O-NH1 2.94Å; L414-N651 HydrophobicContact CD2-CB 3.75Å
415	K	89.4	Confident	94	Very high	212 Å²	212	40.6 Å²	40.6	92%	0.922	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	141.8	173.8	-69.5	-176.1	176.4	-178.1	0	110.1	N417	K415-N417 VanDerWaalsContact C-N 3.33Å
416	G	91.8	Very high	94.1	Very high	62 Å²	62	38.2 Å²	38.2	64%	0.639	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-9.5	-178.2	0	0	0	0	0	115.4	R494	G416-R494 PolarHBondContact O-NH2 2.98Å
417	N	94.7	Very high	94.1	Very high	14 Å²	14	38 Å²	38	8%	0.075	20%	0.199	C	C	.	.			trans	-81.1	146	165.5	-80.2	-26.7	0	0	0	111.4	L411 L414 K415 T421 R439 R494 P497	L411-N417 PolarHBondContact O-ND2 2.76Å; L411-N417 VanDerWaalsContact O-ND2 3.08Å; L414-N417 PolarHBondContact O-N 2.83Å; K415-N417 VanDerWaalsContact C-N 3.33Å; N417-T421 HydrophobicContact CB-CG2 4.24Å; N417-R439 PolarHBondContact O-NE 3.26Å; N417-R439 PolarHBondContact O-NH1 3.08Å; N417-R439 PolarHBondContact O-NH2 3.14Å; N417-R494 PolarHBondContact OD1-NH2 3.47Å; N417-P497 WeakPolarHBondContact OD1-CD 3.47Å
418	I	95.2	Very high	94	Very high	83 Å²	83	41.2 Å²	41.2	43%	0.426	21%	0.213	S	C	.	.			trans	-115.2	163.3	-171.7	60.8	169.8	0	0	0	111.7	G420 T421 R439	I418-G420 PolarHBondContact O-N 3.46Å; I418-T421 PolarHBondContact N-OG1 3.13Å; I418-T421 WeakPolarHBondContact O-CB 3.46Å; I418-T421 PolarHBondContact O-N 3.38Å; I418-T421 PolarHBondContact O-OG1 3.47Å; I418-R439 WeakPolarHBondContact O-CD 3.27Å
419	R	96.3	Very high	93.6	Very high	119 Å²	119	47 Å²	47	45%	0.449	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	136.1	172.3	-169.6	175.2	-169.6	-108.8	-10.4	110.9	T421 D440 C489 T493	R419-T421 VanDerWaalsContact C-N 3.29Å; R419-T421 PolarHBondContact O-N 3.21Å; R419-D440 IonicContact CZ-OD1 3.62Å; R419-D440 IonicContact NE-OD1 3.62Å; R419-D440 PolarHBondContact NE-OD1 3.34Å; R419-D440 IonicContact NH2-OD1 2.73Å; R419-D440 PolarHBondContact NH2-OD1 3.35Å; R419-D440 IonicContact NH2-OD2 3.73Å; R419-C489 PolarHBondContact NH2-O 3.19Å; R419-T493 WeakPolarHBondContact O-CG2 3.4Å; R419-T493 PolarHBondContact O-OG1 2.94Å
420	G	97.2	Very high	93.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-0.7	-174	0	0	0	0	0	115.1	I418 F422 R439 T493	I418-G420 PolarHBondContact O-N 3.46Å; G420-F422 PolarHBondContact O-N 2.86Å; G420-R439 PolarHBondContact N-O 3.34Å; G420-T493 WeakPolarHBondContact CA-OG1 3.42Å; G420-T493 PolarHBondContact O-N 3.45Å; G420-T493 PolarHBondContact O-OG1 3.17Å
421	T	98.4	Very high	92.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134.1	169.5	-56.7	0	0	0	0	108.6	L412 N417 I418 R419 R439 T493 R494 C496	L412-T421 HydrophobicContact CD2-CG2 4.1Å; L412-T421 WeakPolarHBondContact CD2-O 3.49Å; N417-T421 HydrophobicContact CB-CG2 4.24Å; I418-T421 PolarHBondContact N-OG1 3.13Å; I418-T421 WeakPolarHBondContact O-CB 3.46Å; I418-T421 PolarHBondContact O-N 3.38Å; I418-T421 PolarHBondContact O-OG1 3.47Å; R419-T421 VanDerWaalsContact C-N 3.29Å; R419-T421 PolarHBondContact O-N 3.21Å; T421-R439 PolarHBondContact O-N 3.08Å; T421-T493 PolarHBondContact N-OG1 2.91Å; T421-R494 VanDerWaalsContact CA-O 3.3Å; T421-R494 WeakPolarHBondContact CA-O 3.48Å; T421-R494 HydrophobicContact CG2-CG 4.21Å; T421-C496 HydrophobicContact CG2-CB 4.09Å
422	F	98.5	Very high	92.2	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.9	-167.6	74.9	-81.6	0	0	0	114.9	W398 G420 L436 S437 V438 V478 L492 R494 P495 C496	W398-F422 HydrophobicContact CB-CD2 4.18Å; W398-F422 HydrophobicContact CB-CE2 3.45Å; W398-F422 VanDerWaalsContact CB-CE2 3.45Å; W398-F422 HydrophobicContact CB-CZ 3.91Å; W398-F422 HydrophobicContact CD2-CE2 4.49Å; W398-F422 AromaticContact CG-CE2 3.85Å; W398-F422 HydrophobicContact CG-CE2 3.85Å; W398-F422 HydrophobicContact CG-CZ 4.19Å; G420-F422 PolarHBondContact O-N 2.86Å; F422-L436 HydrophobicContact CB-CD1 4.15Å; F422-L436 HydrophobicContact CD2-CD1 3.78Å; F422-L436 HydrophobicContact CG-CD1 4.36Å; F422-S437 CarbonylContact C-O 3.53Å; F422-S437 WeakPolarHBondContact CA-O 3.29Å; F422-V438 HydrophobicContact CB-CG1 4.49Å; F422-V438 HydrophobicContact CB-CG2 4.21Å; F422-V478 HydrophobicContact CE2-CG1 3.68Å; F422-V478 HydrophobicContact CE2-CG2 4.15Å; F422-V478 HydrophobicContact CZ-CG1 3.58Å; F422-L492 HydrophobicContact CB-CD2 3.82Å; F422-L492 HydrophobicContact CD1-CB 3.59Å; F422-L492 HydrophobicContact CD1-CD1 4.46Å; F422-L492 HydrophobicContact CD1-CD2 4.32Å; F422-L492 HydrophobicContact CD1-CG 4.32Å; F422-L492 HydrophobicContact CD2-CD1 4Å; F422-L492 HydrophobicContact CE1-CB 3.74Å; F422-L492 HydrophobicContact CE2-CD1 4.12Å; F422-L492 HydrophobicContact CG-CB 4.04Å; F422-L492 HydrophobicContact CG-CD1 4.17Å; F422-L492 HydrophobicContact CG-CD2 3.98Å; F422-L492 HydrophobicContact CG-CG 4.28Å; F422-L492 HydrophobicContact CZ-CB 4.31Å; F422-L492 HydrophobicContact CZ-CD1 4.42Å; F422-R494 VanDerWaalsContact CD1-C 3.45Å; F422-R494 WeakPolarHBondContact CD1-O 3.38Å; F422-R494 WeakPolarHBondContact CE1-O 3.4Å; F422-R494 PolarHBondContact N-O 2.65Å; F422-P495 HydrophobicContact CZ-CG 4.4Å; F422-P495 CarbonylContact O-C 3.59Å; F422-P495 WeakPolarHBondContact O-CA 3.34Å; F422-C496 WeakPolarHBondContact O-CB 3.44Å; F422-C496 PolarHBondContact O-N 3.37Å
423	L	98.2	Very high	91.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.9	166	63.4	86.6	0	0	0	111.5	W398 F400 I403 L412 R425 L436 S437 C496	W398-L423 CarbonylContact O-C 3.59Å; W398-L423 WeakPolarHBondContact O-CA 3.39Å; F400-L423 HydrophobicContact CB-CD1 4.37Å; F400-L423 HydrophobicContact CD1-CD2 4.26Å; F400-L423 HydrophobicContact CD2-CB 3.6Å; F400-L423 HydrophobicContact CD2-CD2 4.21Å; F400-L423 HydrophobicContact CD2-CG 4.34Å; F400-L423 HydrophobicContact CE1-CD2 4.24Å; F400-L423 HydrophobicContact CE2-CB 3.75Å; F400-L423 HydrophobicContact CE2-CD2 4.21Å; F400-L423 HydrophobicContact CG-CB 4.3Å; F400-L423 HydrophobicContact CG-CD1 4.47Å; F400-L423 HydrophobicContact CG-CD2 4.24Å; F400-L423 HydrophobicContact CZ-CD2 4.21Å; I403-L423 HydrophobicContact CG2-CD1 4.17Å; L412-L423 HydrophobicContact CD1-CD2 4.38Å; L412-L423 HydrophobicContact CD1-CG 4.36Å; L412-L423 HydrophobicContact CD2-CD2 4.42Å; L412-L423 HydrophobicContact CG-CD2 4.14Å; L423-R425 HydrophobicContact CD1-CB 3.97Å; L423-R425 HydrophobicContact CD1-CG 3.94Å; L423-L436 CarbonylContact O-C 3.59Å; L423-L436 WeakPolarHBondContact O-CA 3.05Å; L423-S437 PolarHBondContact N-O 3.43Å; L423-S437 PolarHBondContact O-N 2.67Å; L423-C496 HydrophobicContact CB-CB 4.16Å; L423-C496 HydrophobicContact CD2-CB 3.96Å
424	V	97.2	Very high	91.9	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.9	169.6	179.3	0	0	0	0	108.6	W398 Y399 F400 L434 S435 L436 I454 V478	W398-V424 HydrophobicContact CE3-CB 3.85Å; W398-V424 HydrophobicContact CE3-CG2 3.65Å; W398-V424 HydrophobicContact CZ3-CB 4.06Å; W398-V424 HydrophobicContact CZ3-CG2 3.92Å; W398-V424 PolarHBondContact O-N 3.05Å; Y399-V424 HydrophobicContact CD2-CB 4.39Å; Y399-V424 HydrophobicContact CD2-CG1 4.16Å; Y399-V424 HydrophobicContact CE2-CG1 4.48Å; F400-V424 PolarHBondContact N-O 3.34Å; V424-L434 HydrophobicContact CG1-CB 4.3Å; V424-L434 HydrophobicContact CG1-CD1 4.33Å; V424-S435 WeakPolarHBondContact CA-O 3.37Å; V424-L436 HydrophobicContact CG2-CD1 4.03Å; V424-I454 HydrophobicContact CG1-CD1 3.9Å; V424-I454 HydrophobicContact CG2-CD1 4.28Å; V424-V478 HydrophobicContact CG2-CG2 4.3Å
425	R	95.6	Very high	92.1	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	166.4	-177	58.3	178.5	-173.5	86.7	-5.3	111.9	F400 I403 R405 S408 L423 E428 L434 S435 S437	F400-R425 WeakPolarHBondContact O-CA 3.25Å; F400-R425 WeakPolarHBondContact O-CB 3.28Å; I403-R425 HydrophobicContact CG2-CB 3.62Å; I403-R425 HydrophobicContact CG2-CG 4.27Å; R405-R425 VanDerWaalsContact CA-NH2 3.33Å; R405-R425 VanDerWaalsContact CB-NH2 3.29Å; S408-R425 PolarHBondContact OG-NE 2.94Å; L423-R425 HydrophobicContact CD1-CB 3.97Å; L423-R425 HydrophobicContact CD1-CG 3.94Å; R425-E428 IonicContact CZ-OE2 3.21Å; R425-E428 IonicContact NH1-OE2 3.06Å; R425-E428 PolarHBondContact NH1-OE2 2.98Å; R425-E428 IonicContact NH2-OE2 2.76Å; R425-E428 PolarHBondContact NH2-OE2 3.39Å; R425-L434 CarbonylContact O-C 3.42Å; R425-L434 WeakPolarHBondContact O-CA 3.28Å; R425-S435 WeakPolarHBondContact CG-O 3.24Å; R425-S435 PolarHBondContact N-O 2.67Å; R425-S435 PolarHBondContact O-N 2.83Å; R425-S437 PolarHBondContact NE-OG 2.77Å
426	A	92.9	Very high	92.5	Very high	40 Å²	40	43.3 Å²	43.3	33%	0.331	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	147.1	165.8	0	0	0	0	0	112.2	R401	R401-A426 WeakPolarHBondContact O-CB 3.36Å; R401-A426 PolarHBondContact O-N 3.3Å
427	S	90.8	Very high	92.8	Very high	12 Å²	12	40.3 Å²	40.3	8%	0.084	23%	0.233	C	C	.	.			trans	-95.1	114.6	178.9	-158.4	0	0	0	0	111.3	T429 T430 A433 S435	S427-T429 PolarHBondContact O-N 2.86Å; S427-T430 CarbonylContact O-C 3.59Å; S427-T430 PolarHBondContact O-N 2.95Å; S427-A433 WeakPolarHBondContact CB-O 3.4Å; S427-A433 PolarHBondContact N-O 2.84Å; S427-S435 WeakPolarHBondContact CB-OG 3.35Å; S427-S435 PolarHBondContact OG-OG 2.98Å
428	E	86.8	Confident	92.9	Very high	110 Å²	110	39.7 Å²	39.7	51%	0.514	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.4	-178.7	-59.5	125.9	120.2	0	0	113.2	S404 R405 R425	S404-E428 VanDerWaalsContact CA-OE1 3.23Å; S404-E428 WeakPolarHBondContact CA-OE1 3.42Å; S404-E428 WeakPolarHBondContact CB-OE1 3.5Å; R405-E428 WeakPolarHBondContact CB-OE2 3.48Å; R405-E428 VanDerWaalsContact N-CD 3.32Å; R405-E428 PolarHBondContact N-OE1 2.7Å; R405-E428 PolarHBondContact N-OE2 3.12Å; R425-E428 IonicContact CZ-OE2 3.21Å; R425-E428 IonicContact NH1-OE2 3.06Å; R425-E428 PolarHBondContact NH1-OE2 2.98Å; R425-E428 IonicContact NH2-OE2 2.76Å; R425-E428 PolarHBondContact NH2-OE2 3.39Å
429	T	85.2	Confident	93	Very high	121 Å²	121	36.1 Å²	36.1	74%	0.742	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-1	-177.1	59.4	0	0	0	0	113.4	S427	S427-T429 PolarHBondContact O-N 2.86Å
430	T	84.7	Confident	92.9	Very high	50 Å²	50	31 Å²	31	31%	0.307	19%	0.192	S	C	.	.	S	Bend	trans	-156.7	107.8	176.2	-59.9	0	0	0	0	110.3	S427 A433 K453	S427-T430 CarbonylContact O-C 3.59Å; S427-T430 PolarHBondContact O-N 2.95Å; T430-A433 HydrophobicContact CG2-CB 3.71Å; T430-A433 WeakPolarHBondContact O-CB 3.42Å; T430-A433 PolarHBondContact O-N 3.4Å; T430-A433 VanDerWaalsContact O-N 3.09Å; T430-K453 PolarHBondContact OG1-NZ 2.88Å
431	N	81.5	Confident	92.6	Very high	169 Å²	169	34.3 Å²	34.3	90%	0.904	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	140.6	176.5	-167.7	16.1	0	0	0	111.5	A433	N431-A433 PolarHBondContact O-N 3.2Å; N431-A433 VanDerWaalsContact O-N 3.14Å
432	G	81.7	Confident	91.9	Very high	66 Å²	66	36.6 Å²	36.6	68%	0.68	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	-14.3	-175.1	0	0	0	0	0	116.2
433	A	88.1	Confident	91.1	Very high	14 Å²	14	46.4 Å²	46.4	12%	0.116	27%	0.269	C	S	.	.			trans	-85.8	157.2	176.7	0	0	0	0	0	112.1	S427 T430 N431	S427-A433 WeakPolarHBondContact CB-O 3.4Å; S427-A433 PolarHBondContact N-O 2.84Å; T430-A433 HydrophobicContact CG2-CB 3.71Å; T430-A433 WeakPolarHBondContact O-CB 3.42Å; T430-A433 PolarHBondContact O-N 3.4Å; T430-A433 VanDerWaalsContact O-N 3.09Å; N431-A433 PolarHBondContact O-N 3.2Å; N431-A433 VanDerWaalsContact O-N 3.14Å
434	L	94.3	Very high	90	Very high	30 Å²	30	55.7 Å²	55.7	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	169.2	176.5	-64.2	177.7	0	0	0	111	Y399 V424 R425 I454 L474	Y399-L434 HydrophobicContact CE2-CD1 4.35Å; Y399-L434 HydrophobicContact CE2-CD2 4.23Å; V424-L434 HydrophobicContact CG1-CB 4.3Å; V424-L434 HydrophobicContact CG1-CD1 4.33Å; R425-L434 CarbonylContact O-C 3.42Å; R425-L434 WeakPolarHBondContact O-CA 3.28Å; L434-I454 HydrophobicContact CB-CB 4.07Å; L434-I454 HydrophobicContact CB-CD1 4.3Å; L434-I454 PolarHBondContact N-O 3.23Å; L434-I454 PolarHBondContact O-N 3.17Å; L434-L474 HydrophobicContact CD1-CD1 3.44Å; L434-L474 VanDerWaalsContact CD1-CD1 3.44Å; L434-L474 HydrophobicContact CD1-CD2 3.79Å; L434-L474 HydrophobicContact CD1-CG 4.26Å
435	S	96.3	Very high	89	Confident	7 Å²	7	61.8 Å²	61.8	5%	0.049	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	123	178.7	-65.7	0	0	0	0	111.1	V424 R425 S427 Y452	V424-S435 WeakPolarHBondContact CA-O 3.37Å; R425-S435 WeakPolarHBondContact CG-O 3.24Å; R425-S435 PolarHBondContact N-O 2.67Å; R425-S435 PolarHBondContact O-N 2.83Å; S427-S435 WeakPolarHBondContact CB-OG 3.35Å; S427-S435 PolarHBondContact OG-OG 2.98Å; S435-Y452 CarbonylContact C-O 3.58Å; S435-Y452 WeakPolarHBondContact CA-O 3.28Å
436	L	97.4	Very high	88.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.6	169.1	173.1	64.7	0	0	0	108.5	F422 L423 V424 V438 H451 Y452 I454 I465 L488 L492	F422-L436 HydrophobicContact CB-CD1 4.15Å; F422-L436 HydrophobicContact CD2-CD1 3.78Å; F422-L436 HydrophobicContact CG-CD1 4.36Å; L423-L436 CarbonylContact O-C 3.59Å; L423-L436 WeakPolarHBondContact O-CA 3.05Å; V424-L436 HydrophobicContact CG2-CD1 4.03Å; L436-V438 HydrophobicContact CD1-CG2 4.17Å; L436-V438 HydrophobicContact CD2-CG2 4.27Å; L436-V438 HydrophobicContact CG-CG2 3.86Å; L436-H451 CarbonylContact O-C 3.57Å; L436-H451 WeakPolarHBondContact O-CA 3.21Å; L436-Y452 PolarHBondContact N-O 3.16Å; L436-Y452 PolarHBondContact O-N 3.23Å; L436-I454 HydrophobicContact CB-CD1 4.09Å; L436-I454 HydrophobicContact CB-CG1 4.36Å; L436-I465 HydrophobicContact CB-CD1 4.45Å; L436-I465 HydrophobicContact CD2-CD1 3.72Å; L436-L488 HydrophobicContact CD2-CD1 3.81Å; L436-L492 HydrophobicContact CD1-CD1 4.08Å; L436-L492 HydrophobicContact CD1-CD2 4.24Å; L436-L492 HydrophobicContact CD2-CD1 4.13Å; L436-L492 HydrophobicContact CD2-CD2 4.21Å
437	S	97.7	Very high	88.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128	179.3	-53.1	0	0	0	0	108.9	F422 L423 R425 K450 H451	F422-S437 CarbonylContact C-O 3.53Å; F422-S437 WeakPolarHBondContact CA-O 3.29Å; L423-S437 PolarHBondContact N-O 3.43Å; L423-S437 PolarHBondContact O-N 2.67Å; R425-S437 PolarHBondContact NE-OG 2.77Å; S437-K450 CarbonylContact C-O 3.59Å; S437-K450 WeakPolarHBondContact CA-O 3.13Å; S437-H451 WeakPolarHBondContact CB-ND1 3.32Å; S437-H451 PolarHBondContact OG-ND1 2.84Å
438	V	97.9	Very high	88.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.5	-168.7	-168.7	0	0	0	0	110.6	F422 L436 V449 K450 Y452 L492	F422-V438 HydrophobicContact CB-CG1 4.49Å; F422-V438 HydrophobicContact CB-CG2 4.21Å; L436-V438 HydrophobicContact CD1-CG2 4.17Å; L436-V438 HydrophobicContact CD2-CG2 4.27Å; L436-V438 HydrophobicContact CG-CG2 3.86Å; V438-V449 CarbonylContact O-C 3.56Å; V438-V449 VanDerWaalsContact O-CA 3.31Å; V438-V449 WeakPolarHBondContact O-CA 3.47Å; V438-K450 PolarHBondContact N-O 2.91Å; V438-K450 PolarHBondContact O-N 3.31Å; V438-Y452 HydrophobicContact CG2-CD2 4.35Å; V438-Y452 HydrophobicContact CG2-CE2 4.32Å; V438-L492 HydrophobicContact CG1-CD2 4.05Å; V438-L492 HydrophobicContact CG2-CD2 3.61Å
439	R	96.9	Very high	88.7	Confident	8 Å²	8	61.7 Å²	61.7	3%	0.03	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	125.2	171.5	-171.5	-165.4	-176	121.1	-13.1	109.9	L412 L413 L414 N417 I418 G420 T421 E447	L412-R439 HydrophobicContact CB-CB 4.42Å; L412-R439 WeakPolarHBondContact O-CD 3.28Å; L412-R439 PolarHBondContact O-NH1 3.4Å; L413-R439 VanDerWaalsContact C-NH1 3.3Å; L413-R439 PolarHBondContact O-NH1 3.45Å; L414-R439 PolarHBondContact O-NH1 2.94Å; N417-R439 PolarHBondContact O-NE 3.26Å; N417-R439 PolarHBondContact O-NH1 3.08Å; N417-R439 PolarHBondContact O-NH2 3.14Å; I418-R439 WeakPolarHBondContact O-CD 3.27Å; G420-R439 PolarHBondContact N-O 3.34Å; T421-R439 PolarHBondContact O-N 3.08Å; R439-E447 IonicContact CZ-OE1 3.1Å; R439-E447 IonicContact CZ-OE2 2.7Å; R439-E447 IonicContact NE-OE1 2.67Å; R439-E447 IonicContact NH2-OE1 2.7Å; R439-E447 PolarHBondContact NH2-OE1 3.15Å; R439-E447 IonicContact NH2-OE2 3.87Å; R439-E447 PolarHBondContact NH2-OE2 3.44Å
440	D	94.4	Very high	89.2	Confident	11 Å²	11	59 Å²	59	6%	0.059	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	178.6	177.1	-162.9	16.4	0	0	0	111.1	R419 T448 K450 C489	R419-D440 IonicContact CZ-OD1 3.62Å; R419-D440 IonicContact NE-OD1 3.62Å; R419-D440 PolarHBondContact NE-OD1 3.34Å; R419-D440 IonicContact NH2-OD1 2.73Å; R419-D440 PolarHBondContact NH2-OD1 3.35Å; R419-D440 IonicContact NH2-OD2 3.73Å; D440-T448 PolarHBondContact N-O 2.96Å; D440-T448 PolarHBondContact O-N 2.78Å; D440-K450 HydrophobicContact CB-CG 4.15Å; D440-C489 HydrophobicContact CB-CB 4.48Å; D440-C489 VanDerWaalsContact OD2-CB 3.27Å; D440-C489 WeakPolarHBondContact OD2-CB 3.31Å
441	T	89.5	Confident	89.7	Confident	70 Å²	70	59.1 Å²	59.1	43%	0.429	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	117.6	176.7	-49.1	0	0	0	0	109.9	G446	T441-G446 CarbonylContact C-O 3.6Å; T441-G446 WeakPolarHBondContact CA-O 3.38Å
442	E	85.3	Confident	90.3	Very high	48 Å²	48	53.3 Å²	53.3	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.8	-176.7	-71.6	168	-122.2	0	0	110.5	Q444 R445 G446 T448 K450	E442-Q444 VanDerWaalsContact C-N 3.26Å; E442-Q444 PolarHBondContact O-N 3.31Å; E442-Q444 VanDerWaalsContact O-N 3.15Å; E442-R445 HydrophobicContact CB-CB 4.15Å; E442-R445 PolarHBondContact O-N 3.48Å; E442-R445 WeakPolarHBondContact OE2-CD 3.36Å; E442-G446 PolarHBondContact N-O 3.5Å; E442-G446 WeakPolarHBondContact O-CA 3.35Å; E442-G446 PolarHBondContact O-N 2.84Å; E442-T448 HydrophobicContact CG-CG2 4.47Å; E442-T448 WeakPolarHBondContact OE1-CB 3.33Å; E442-T448 VanDerWaalsContact OE1-CG2 3.29Å; E442-T448 WeakPolarHBondContact OE1-CG2 3.33Å; E442-T448 PolarHBondContact OE1-OG1 2.97Å; E442-K450 WeakPolarHBondContact OE1-CE 3.38Å; E442-K450 IonicContact OE1-NZ 3.15Å; E442-K450 PolarHBondContact OE1-NZ 2.9Å; E442-K450 IonicContact OE2-NZ 2.66Å
443	Q	80	Confident	91	Very high	210 Å²	210	54.1 Å²	54.1	98%	0.981	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.5	-173.2	-66.4	-179.8	-7.5	0	0	114
444	Q	77	Confident	91.3	Very high	196 Å²	196	53.6 Å²	53.6	92%	0.916	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-30.3	179.4	-67.3	-174.7	-8.7	0	0	114	E442	E442-Q444 VanDerWaalsContact C-N 3.26Å; E442-Q444 PolarHBondContact O-N 3.31Å; E442-Q444 VanDerWaalsContact O-N 3.15Å
445	R	75.8	Confident	91.2	Very high	128 Å²	128	56.9 Å²	56.9	48%	0.483	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-10.5	-173.7	-59.8	-174	176.6	-159	-9.6	114.2	E442 T448 E780	E442-R445 HydrophobicContact CB-CB 4.15Å; E442-R445 PolarHBondContact O-N 3.48Å; E442-R445 WeakPolarHBondContact OE2-CD 3.36Å; R445-T448 HydrophobicContact CB-CG2 3.79Å; R445-E780 IonicContact CZ-OE1 3.53Å; R445-E780 IonicContact CZ-OE2 3.58Å; R445-E780 VanDerWaalsContact CZ-OE2 3.23Å; R445-E780 IonicContact NE-OE1 2.89Å; R445-E780 IonicContact NH1-OE1 3.36Å; R445-E780 PolarHBondContact NH1-OE1 3.44Å; R445-E780 IonicContact NH1-OE2 3.44Å; R445-E780 PolarHBondContact NH1-OE2 3.06Å; R445-E780 VanDerWaalsContact NH2-CD 3.25Å; R445-E780 IonicContact NH2-OE1 3.57Å; R445-E780 IonicContact NH2-OE2 2.82Å; R445-E780 PolarHBondContact NH2-OE2 3.23Å
446	G	85.7	Confident	90.9	Very high	31 Å²	31	61.7 Å²	61.7	32%	0.32	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.9	-133.4	-172.5	0	0	0	0	0	111.4	T441 E442 T448	T441-G446 CarbonylContact C-O 3.6Å; T441-G446 WeakPolarHBondContact CA-O 3.38Å; E442-G446 PolarHBondContact N-O 3.5Å; E442-G446 WeakPolarHBondContact O-CA 3.35Å; E442-G446 PolarHBondContact O-N 2.84Å; G446-T448 PolarHBondContact O-N 2.9Å
447	E	89.2	Confident	90.4	Very high	93 Å²	93	63.1 Å²	63.1	44%	0.435	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.1	-173.6	-49.6	-162.7	121.7	0	0	112	L413 R439	L413-E447 HydrophobicContact CD2-CB 3.82Å; R439-E447 IonicContact CZ-OE1 3.1Å; R439-E447 IonicContact CZ-OE2 2.7Å; R439-E447 IonicContact NE-OE1 2.67Å; R439-E447 IonicContact NH2-OE1 2.7Å; R439-E447 PolarHBondContact NH2-OE1 3.15Å; R439-E447 IonicContact NH2-OE2 3.87Å; R439-E447 PolarHBondContact NH2-OE2 3.44Å
448	T	91.1	Very high	89.7	Confident	20 Å²	20	68.9 Å²	68.9	12%	0.123	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	171.2	-177	67.3	0	0	0	0	111.3	D440 E442 R445 G446	D440-T448 PolarHBondContact N-O 2.96Å; D440-T448 PolarHBondContact O-N 2.78Å; E442-T448 HydrophobicContact CG-CG2 4.47Å; E442-T448 WeakPolarHBondContact OE1-CB 3.33Å; E442-T448 VanDerWaalsContact OE1-CG2 3.29Å; E442-T448 WeakPolarHBondContact OE1-CG2 3.33Å; E442-T448 PolarHBondContact OE1-OG1 2.97Å; R445-T448 HydrophobicContact CB-CG2 3.79Å; G446-T448 PolarHBondContact O-N 2.9Å
449	V	93.6	Very high	89.1	Confident	23 Å²	23	77.4 Å²	77.4	14%	0.139	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.8	173.5	175.4	0	0	0	0	108.4	E409 L412 L413 V438	E409-V449 HydrophobicContact CG-CB 4.17Å; E409-V449 HydrophobicContact CG-CG1 4.25Å; L412-V449 HydrophobicContact CB-CG2 3.86Å; L412-V449 HydrophobicContact CD1-CG1 3.69Å; L412-V449 HydrophobicContact CD1-CG2 4.32Å; L413-V449 HydrophobicContact CD1-CG2 4.36Å; L413-V449 HydrophobicContact CD2-CG2 4.06Å; L413-V449 HydrophobicContact CG-CG2 3.88Å; V438-V449 CarbonylContact O-C 3.56Å; V438-V449 VanDerWaalsContact O-CA 3.31Å; V438-V449 WeakPolarHBondContact O-CA 3.47Å
450	K	94.5	Very high	88.6	Confident	65 Å²	65	80.7 Å²	80.7	28%	0.283	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.3	174.5	-56.6	-62	177.6	-178.9	0	109.2	S437 V438 D440 E442 Y452 C489	S437-K450 CarbonylContact C-O 3.59Å; S437-K450 WeakPolarHBondContact CA-O 3.13Å; V438-K450 PolarHBondContact N-O 2.91Å; V438-K450 PolarHBondContact O-N 3.31Å; D440-K450 HydrophobicContact CB-CG 4.15Å; E442-K450 WeakPolarHBondContact OE1-CE 3.38Å; E442-K450 IonicContact OE1-NZ 3.15Å; E442-K450 PolarHBondContact OE1-NZ 2.9Å; E442-K450 IonicContact OE2-NZ 2.66Å; K450-Y452 HydrophobicContact CB-CE2 3.66Å; K450-C489 HydrophobicContact CG-CB 4.12Å
451	H	95	Very high	88.3	Confident	52 Å²	52	85.2 Å²	85.2	24%	0.241	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.6	178.1	-54.5	-78.8	0	0	0	110.6	R405 E409 L436 S437	R405-H451 PolarHBondContact NE-CD2 2.86Å; R405-H451 PolarHBondContact NE-NE2 3.07Å; E409-H451 IonicContact OE1-CD2 2.64Å; E409-H451 IonicContact OE1-CE1 3.58Å; E409-H451 IonicContact OE1-NE2 3.92Å; E409-H451 PolarHBondContact OE1-NE2 3.43Å; L436-H451 CarbonylContact O-C 3.57Å; L436-H451 WeakPolarHBondContact O-CA 3.21Å; S437-H451 WeakPolarHBondContact CB-ND1 3.32Å; S437-H451 PolarHBondContact OG-ND1 2.84Å
452	Y	95.8	Very high	88.5	Confident	47 Å²	47	84.1 Å²	84.1	18%	0.184	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.6	-179.5	-59.3	-88.6	0	0	0	108.7	S435 L436 V438 K450 I454 I465 L488 C489	S435-Y452 CarbonylContact C-O 3.58Å; S435-Y452 WeakPolarHBondContact CA-O 3.28Å; L436-Y452 PolarHBondContact N-O 3.16Å; L436-Y452 PolarHBondContact O-N 3.23Å; V438-Y452 HydrophobicContact CG2-CD2 4.35Å; V438-Y452 HydrophobicContact CG2-CE2 4.32Å; K450-Y452 HydrophobicContact CB-CE2 3.66Å; Y452-I454 PolarHBondContact O-N 2.92Å; Y452-I465 HydrophobicContact CD1-CG2 4.36Å; Y452-L488 HydrophobicContact CD1-CD2 3.53Å; Y452-L488 HydrophobicContact CD2-CD2 3.8Å; Y452-L488 HydrophobicContact CE1-CD2 3.61Å; Y452-L488 HydrophobicContact CE2-CB 4.46Å; Y452-L488 HydrophobicContact CE2-CD2 3.88Å; Y452-L488 HydrophobicContact CG-CD2 3.63Å; Y452-C489 PolarHBondContact OH-N 2.99Å
453	K	94.9	Very high	88.9	Confident	84 Å²	84	82.1 Å²	82.1	37%	0.365	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	119.6	178.5	-179.7	171.9	173.7	177.9	0	109.6	T430	T430-K453 PolarHBondContact OG1-NZ 2.88Å
454	I	94.8	Very high	89.6	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.015	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.3	170	-58.9	164.5	0	0	0	107.1	V424 L434 L436 Y452 V463 I465 L474 L477	V424-I454 HydrophobicContact CG1-CD1 3.9Å; V424-I454 HydrophobicContact CG2-CD1 4.28Å; L434-I454 HydrophobicContact CB-CB 4.07Å; L434-I454 HydrophobicContact CB-CD1 4.3Å; L434-I454 PolarHBondContact N-O 3.23Å; L434-I454 PolarHBondContact O-N 3.17Å; L436-I454 HydrophobicContact CB-CD1 4.09Å; L436-I454 HydrophobicContact CB-CG1 4.36Å; Y452-I454 PolarHBondContact O-N 2.92Å; I454-V463 HydrophobicContact CG2-CB 4Å; I454-V463 HydrophobicContact CG2-CG1 4.45Å; I454-I465 HydrophobicContact CG1-CD1 4.33Å; I454-I465 HydrophobicContact CG1-CG1 3.93Å; I454-L474 HydrophobicContact CD1-CD2 4.11Å; I454-L474 HydrophobicContact CG2-CD2 4.04Å; I454-L477 HydrophobicContact CD1-CD2 4.33Å; I454-L477 HydrophobicContact CG1-CD1 4.39Å; I454-L477 HydrophobicContact CG2-CD1 4.03Å
455	K	91.8	Very high	90.5	Very high	98 Å²	98	66.7 Å²	66.7	43%	0.426	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	154.9	171.3	-66	174.9	-179.8	176.8	0	109.2	V463 Y464	K455-V463 WeakPolarHBondContact O-CA 3.44Å; K455-Y464 HydrophobicContact CB-CD1 4.2Å; K455-Y464 HydrophobicContact CB-CD2 4.31Å; K455-Y464 HydrophobicContact CB-CE1 3.74Å; K455-Y464 HydrophobicContact CB-CE2 3.88Å; K455-Y464 HydrophobicContact CB-CG 4.47Å; K455-Y464 HydrophobicContact CD-CD2 4.5Å; K455-Y464 HydrophobicContact CD-CE2 3.61Å; K455-Y464 HydrophobicContact CG-CE2 4.34Å; K455-Y464 PolarHBondContact N-O 2.84Å; K455-Y464 PolarHBondContact O-N 3.19Å
456	Q	90.2	Very high	91.2	Very high	109 Å²	109	62.8 Å²	62.8	51%	0.509	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.3	170.9	-165.9	170.4	17.9	0	0	109.6	N461 D462 V463	Q456-N461 VanDerWaalsContact CG-O 3.29Å; Q456-N461 WeakPolarHBondContact CG-O 3.29Å; Q456-N461 PolarHBondContact NE2-O 2.89Å; Q456-D462 CarbonylContact C-O 3.55Å; Q456-D462 VanDerWaalsContact CA-O 3.31Å; Q456-D462 WeakPolarHBondContact CA-O 3.45Å; Q456-V463 HydrophobicContact CB-CG1 4.31Å; Q456-V463 HydrophobicContact CG-CG1 4.03Å
457	S	86.6	Confident	91.5	Very high	30 Å²	30	66.6 Å²	66.6	21%	0.21	35%	0.346	C	S	.	.			trans	-74.9	125.2	172	174.5	0	0	0	0	109.9	E459 T460 N461 D462	S457-E459 PolarHBondContact O-N 2.79Å; S457-E459 PolarHBondContact OG-N 2.86Å; S457-T460 WeakPolarHBondContact CB-OG1 3.21Å; S457-T460 PolarHBondContact OG-N 3.32Å; S457-T460 PolarHBondContact OG-OG1 2.65Å; S457-N461 WeakPolarHBondContact O-CA 3.26Å; S457-N461 PolarHBondContact O-N 3.16Å; S457-D462 PolarHBondContact N-O 3.22Å
458	S	83.4	Confident	91.6	Very high	121 Å²	121	71.2 Å²	71.2	85%	0.846	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.1	176.2	49.9	0	0	0	0	114
459	E	85.5	Confident	91.6	Very high	178 Å²	178	73.3 Å²	73.3	83%	0.832	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-36.3	-177.2	-65.1	177.4	-173.4	0	0	112.1	S457	S457-E459 PolarHBondContact O-N 2.79Å; S457-E459 PolarHBondContact OG-N 2.86Å
460	T	87.5	Confident	91.7	Very high	78 Å²	78	75.4 Å²	75.4	48%	0.479	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-9	-172.6	56.1	0	0	0	0	114.1	S457 D462	S457-T460 WeakPolarHBondContact CB-OG1 3.21Å; S457-T460 PolarHBondContact OG-N 3.32Å; S457-T460 PolarHBondContact OG-OG1 2.65Å; T460-D462 WeakPolarHBondContact CB-OD2 3.45Å; T460-D462 PolarHBondContact O-N 3.45Å; T460-D462 VanDerWaalsContact O-N 3.16Å; T460-D462 VanDerWaalsContact OG1-CG 3.23Å; T460-D462 PolarHBondContact OG1-OD2 3.45Å
461	N	87.6	Confident	91.8	Very high	106 Å²	106	72.9 Å²	72.9	57%	0.567	38%	0.375	S	S	*	.			trans	62	0.9	-168.6	-63.6	-66.8	0	0	0	116	Q456 S457	Q456-N461 VanDerWaalsContact CG-O 3.29Å; Q456-N461 WeakPolarHBondContact CG-O 3.29Å; Q456-N461 PolarHBondContact NE2-O 2.89Å; S457-N461 WeakPolarHBondContact O-CA 3.26Å; S457-N461 PolarHBondContact O-N 3.16Å
462	D	93.7	Very high	91.8	Very high	47 Å²	47	74.7 Å²	74.7	25%	0.251	39%	0.391	S	S	.	.			trans	-55.6	149.1	174.7	-62.2	-48.7	0	0	0	112.3	Q456 S457 T460 V470 F471 P472	Q456-D462 CarbonylContact C-O 3.55Å; Q456-D462 VanDerWaalsContact CA-O 3.31Å; Q456-D462 WeakPolarHBondContact CA-O 3.45Å; S457-D462 PolarHBondContact N-O 3.22Å; T460-D462 WeakPolarHBondContact CB-OD2 3.45Å; T460-D462 PolarHBondContact O-N 3.45Å; T460-D462 VanDerWaalsContact O-N 3.16Å; T460-D462 VanDerWaalsContact OG1-CG 3.23Å; T460-D462 PolarHBondContact OG1-OD2 3.45Å; D462-V470 HydrophobicContact CB-CG1 3.49Å; D462-V470 VanDerWaalsContact CB-CG1 3.49Å; D462-F471 CarbonylContact C-O 3.6Å; D462-F471 VanDerWaalsContact CA-O 3.32Å; D462-F471 WeakPolarHBondContact CA-O 3.38Å; D462-F471 WeakPolarHBondContact CB-O 3.41Å; D462-P472 WeakPolarHBondContact OD1-CA 3.4Å
463	V	94.5	Very high	91.8	Very high	6 Å²	6	76 Å²	76	4%	0.036	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.6	179.2	-65.2	0	0	0	0	112.5	I454 K455 Q456 F471 D473 L474 L477	I454-V463 HydrophobicContact CG2-CB 4Å; I454-V463 HydrophobicContact CG2-CG1 4.45Å; K455-V463 WeakPolarHBondContact O-CA 3.44Å; Q456-V463 HydrophobicContact CB-CG1 4.31Å; Q456-V463 HydrophobicContact CG-CG1 4.03Å; V463-F471 HydrophobicContact CG2-CB 4.27Å; V463-F471 PolarHBondContact N-O 3.41Å; V463-F471 PolarHBondContact O-N 3.27Å; V463-D473 WeakPolarHBondContact CG2-O 3.01Å; V463-L474 HydrophobicContact CB-CD2 4.2Å; V463-L474 HydrophobicContact CG1-CD2 4.03Å; V463-L474 HydrophobicContact CG1-CG 4.23Å; V463-L474 HydrophobicContact CG2-CD2 4.06Å; V463-L474 HydrophobicContact CG2-CG 4.27Å; V463-L477 HydrophobicContact CB-CD1 4.24Å; V463-L477 HydrophobicContact CG2-CB 4.22Å; V463-L477 HydrophobicContact CG2-CD1 3.87Å
464	Y	94.5	Very high	91.8	Very high	47 Å²	47	73.2 Å²	73.2	18%	0.184	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	152.3	-177.9	64.5	-81.9	0	0	0	113.2	K455 T467 Q469 V470	K455-Y464 HydrophobicContact CB-CD1 4.2Å; K455-Y464 HydrophobicContact CB-CD2 4.31Å; K455-Y464 HydrophobicContact CB-CE1 3.74Å; K455-Y464 HydrophobicContact CB-CE2 3.88Å; K455-Y464 HydrophobicContact CB-CG 4.47Å; K455-Y464 HydrophobicContact CD-CD2 4.5Å; K455-Y464 HydrophobicContact CD-CE2 3.61Å; K455-Y464 HydrophobicContact CG-CE2 4.34Å; K455-Y464 PolarHBondContact N-O 2.84Å; K455-Y464 PolarHBondContact O-N 3.19Å; Y464-T467 HydrophobicContact CD2-CG2 4.19Å; Y464-T467 HydrophobicContact CE2-CG2 3.6Å; Y464-Q469 WeakPolarHBondContact CB-O 3.46Å; Y464-V470 HydrophobicContact CG-CG2 4.4Å
465	I	94.4	Very high	91.8	Very high	34 Å²	34	78 Å²	78	17%	0.174	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-41.1	167.2	-65.8	175.6	0	0	0	109.8	L436 Y452 I454 L477 Y481 L488	L436-I465 HydrophobicContact CB-CD1 4.45Å; L436-I465 HydrophobicContact CD2-CD1 3.72Å; Y452-I465 HydrophobicContact CD1-CG2 4.36Å; I454-I465 HydrophobicContact CG1-CD1 4.33Å; I454-I465 HydrophobicContact CG1-CG1 3.93Å; I465-L477 HydrophobicContact CD1-CD2 4.42Å; I465-L477 HydrophobicContact CG1-CD1 4.46Å; I465-Y481 HydrophobicContact CD1-CD2 4.22Å; I465-Y481 HydrophobicContact CD1-CE2 3.75Å; I465-Y481 HydrophobicContact CG1-CE2 4.33Å; I465-L488 HydrophobicContact CD1-CD2 4.13Å
466	T	92.1	Very high	92	Very high	47 Å²	47	75.2 Å²	75.2	29%	0.288	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.1	176.5	175.4	0	0	0	0	110	K468 Q469	T466-K468 HydrophobicContact CG2-CB 4.31Å; T466-K468 PolarHBondContact O-N 3.05Å; T466-K468 VanDerWaalsContact O-N 3.08Å; T466-K468 PolarHBondContact OG1-N 3.39Å; T466-Q469 HydrophobicContact CG2-CB 3.99Å; T466-Q469 CarbonylContact O-C 3.6Å; T466-Q469 PolarHBondContact O-N 3.1Å; T466-Q469 VanDerWaalsContact O-N 3.12Å
467	T	90.3	Very high	92.4	Very high	110 Å²	110	70 Å²	70	68%	0.675	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.5	177.5	48.6	0	0	0	0	113.4	Y464	Y464-T467 HydrophobicContact CD2-CG2 4.19Å; Y464-T467 HydrophobicContact CE2-CG2 3.6Å
468	K	91.9	Very high	92.9	Very high	190 Å²	190	69 Å²	69	83%	0.826	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.5	172.7	-62.5	-174.4	179.3	-177.2	0	113.6	T466	T466-K468 HydrophobicContact CG2-CB 4.31Å; T466-K468 PolarHBondContact O-N 3.05Å; T466-K468 VanDerWaalsContact O-N 3.08Å; T466-K468 PolarHBondContact OG1-N 3.39Å
469	Q	92.2	Very high	93.5	Very high	64 Å²	64	67.6 Å²	67.6	30%	0.299	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	109.7	-170.7	-176.1	61.6	41.3	0	0	109.7	Y464 T466 F471	Y464-Q469 WeakPolarHBondContact CB-O 3.46Å; T466-Q469 HydrophobicContact CG2-CB 3.99Å; T466-Q469 CarbonylContact O-C 3.6Å; T466-Q469 PolarHBondContact O-N 3.1Å; T466-Q469 VanDerWaalsContact O-N 3.12Å; Q469-F471 HydrophobicContact CG-CE1 4.03Å; Q469-F471 HydrophobicContact CG-CE2 3.83Å; Q469-F471 HydrophobicContact CG-CZ 3.37Å
470	V	95.1	Very high	94.1	Very high	67 Å²	67	60.3 Å²	60.3	41%	0.406	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.2	-170.5	-179.6	0	0	0	0	109.1	D462 Y464	D462-V470 HydrophobicContact CB-CG1 3.49Å; D462-V470 VanDerWaalsContact CB-CG1 3.49Å; Y464-V470 HydrophobicContact CG-CG2 4.4Å
471	F	96.7	Very high	94.6	Very high	13 Å²	13	56.7 Å²	56.7	6%	0.057	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.5	-174.3	-53.1	-82.8	0	0	0	111.3	D462 V463 Q469 D473 L477 H480 Y481	D462-F471 CarbonylContact C-O 3.6Å; D462-F471 VanDerWaalsContact CA-O 3.32Å; D462-F471 WeakPolarHBondContact CA-O 3.38Å; D462-F471 WeakPolarHBondContact CB-O 3.41Å; V463-F471 HydrophobicContact CG2-CB 4.27Å; V463-F471 PolarHBondContact N-O 3.41Å; V463-F471 PolarHBondContact O-N 3.27Å; Q469-F471 HydrophobicContact CG-CE1 4.03Å; Q469-F471 HydrophobicContact CG-CE2 3.83Å; Q469-F471 HydrophobicContact CG-CZ 3.37Å; F471-D473 VanDerWaalsContact C-N 3.27Å; F471-D473 PolarHBondContact O-N 2.79Å; F471-L477 HydrophobicContact CB-CB 4.1Å; F471-L477 HydrophobicContact CD2-CB 3.58Å; F471-L477 HydrophobicContact CD2-CD1 3.89Å; F471-L477 HydrophobicContact CD2-CG 3.71Å; F471-L477 HydrophobicContact CE2-CB 4.1Å; F471-L477 HydrophobicContact CE2-CD1 4.3Å; F471-L477 HydrophobicContact CE2-CG 3.89Å; F471-L477 HydrophobicContact CG-CB 3.84Å; F471-L477 HydrophobicContact CG-CG 4.48Å; F471-H480 HydrophobicContact CD1-CB 4.37Å; F471-H480 HydrophobicContact CE1-CB 3.36Å; F471-H480 AromaticContact CE1-CG 3.48Å; F471-H480 VanDerWaalsContact CE1-CG 3.48Å; F471-H480 AromaticContact CE1-ND1 3.66Å; F471-H480 HydrophobicContact CZ-CB 3.62Å; F471-H480 AromaticContact CZ-CD2 3.51Å; F471-H480 AromaticContact CZ-CG 3.45Å; F471-H480 VanDerWaalsContact CZ-CG 3.45Å; F471-H480 AromaticContact CZ-ND1 3.85Å; F471-H480 AromaticContact CZ-NE2 3.9Å; F471-Y481 AromaticContact CE2-CE2 3.87Å; F471-Y481 HydrophobicContact CE2-CE2 3.87Å; F471-Y481 HydrophobicContact CZ-CE2 4.18Å
472	P	95.4	Very high	95.1	Very high	89 Å²	89	53.8 Å²	53.8	58%	0.578	29%	0.285	S	S	*	.	S	Bend	trans	-67.6	-27.3	179.9	28.5	-35.8	0	0	0	113.1	D462	D462-P472 WeakPolarHBondContact OD1-CA 3.4Å
473	D	93.9	Very high	95.3	Very high	76 Å²	76	57.7 Å²	57.7	41%	0.406	31%	0.306	S	S	.	.	S	Bend	trans	-150.6	168.9	178.5	63.6	41.9	0	0	0	112.7	V463 F471 K475 S476 L477	V463-D473 WeakPolarHBondContact CG2-O 3.01Å; F471-D473 VanDerWaalsContact C-N 3.27Å; F471-D473 PolarHBondContact O-N 2.79Å; D473-K475 PolarHBondContact O-N 2.89Å; D473-K475 WeakPolarHBondContact OD1-CA 3.42Å; D473-K475 WeakPolarHBondContact OD1-CB 3.48Å; D473-K475 PolarHBondContact OD1-N 3.2Å; D473-S476 PolarHBondContact O-N 2.79Å; D473-S476 VanDerWaalsContact OD1-CB 3.28Å; D473-S476 WeakPolarHBondContact OD1-CB 3.47Å; D473-S476 PolarHBondContact OD1-N 3.04Å; D473-S476 PolarHBondContact OD1-OG 2.79Å; D473-L477 PolarHBondContact O-N 2.96Å; D473-L477 VanDerWaalsContact O-N 3.15Å
474	L	95.2	Very high	95.3	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.131	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-26.6	-179.5	-68	162.9	0	0	0	112.9	V393 W398 L434 I454 V463 V478	V393-L474 HydrophobicContact CG2-CD1 3.99Å; W398-L474 HydrophobicContact CH2-CB 3.8Å; W398-L474 HydrophobicContact CZ3-CB 4.22Å; L434-L474 HydrophobicContact CD1-CD1 3.44Å; L434-L474 VanDerWaalsContact CD1-CD1 3.44Å; L434-L474 HydrophobicContact CD1-CD2 3.79Å; L434-L474 HydrophobicContact CD1-CG 4.26Å; I454-L474 HydrophobicContact CD1-CD2 4.11Å; I454-L474 HydrophobicContact CG2-CD2 4.04Å; V463-L474 HydrophobicContact CB-CD2 4.2Å; V463-L474 HydrophobicContact CG1-CD2 4.03Å; V463-L474 HydrophobicContact CG1-CG 4.23Å; V463-L474 HydrophobicContact CG2-CD2 4.06Å; V463-L474 HydrophobicContact CG2-CG 4.27Å; L474-V478 WeakPolarHBondContact O-CG2 3.23Å; L474-V478 PolarHBondContact O-N 2.99Å
475	K	95.5	Very high	95.4	Very high	104 Å²	104	61.4 Å²	61.4	45%	0.452	33%	0.33	S	S	.	.	H	α-helix	trans	-72.9	-42.4	-179	-170.7	166.4	-174.5	158.5	0	110.6	E396 W398 D473 V478 I479	E396-K475 VanDerWaalsContact OE1-CE 3.28Å; E396-K475 WeakPolarHBondContact OE1-CE 3.38Å; E396-K475 IonicContact OE1-NZ 3.61Å; E396-K475 PolarHBondContact OE1-NZ 3.17Å; W398-K475 HydrophobicContact CZ2-CB 4.4Å; D473-K475 PolarHBondContact O-N 2.89Å; D473-K475 WeakPolarHBondContact OD1-CA 3.42Å; D473-K475 WeakPolarHBondContact OD1-CB 3.48Å; D473-K475 PolarHBondContact OD1-N 3.2Å; K475-V478 PolarHBondContact O-N 2.95Å; K475-I479 HydrophobicContact CG-CD1 4.07Å; K475-I479 WeakPolarHBondContact O-CB 3.46Å; K475-I479 WeakPolarHBondContact O-CD1 3.46Å; K475-I479 WeakPolarHBondContact O-CG1 3.18Å; K475-I479 PolarHBondContact O-N 2.76Å
476	S	96.4	Very high	95.4	Very high	38 Å²	38	63.3 Å²	63.3	27%	0.266	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-43	172.2	-56.6	0	0	0	0	111.6	D473 I479 H480	D473-S476 PolarHBondContact O-N 2.79Å; D473-S476 VanDerWaalsContact OD1-CB 3.28Å; D473-S476 WeakPolarHBondContact OD1-CB 3.47Å; D473-S476 PolarHBondContact OD1-N 3.04Å; D473-S476 PolarHBondContact OD1-OG 2.79Å; S476-I479 PolarHBondContact O-N 2.86Å; S476-H480 PolarHBondContact O-N 2.66Å
477	L	97.5	Very high	95.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-58.9	-47.8	172.8	-177.3	155.7	0	0	0	111.6	I454 V463 I465 F471 D473 Y481	I454-L477 HydrophobicContact CD1-CD2 4.33Å; I454-L477 HydrophobicContact CG1-CD1 4.39Å; I454-L477 HydrophobicContact CG2-CD1 4.03Å; V463-L477 HydrophobicContact CB-CD1 4.24Å; V463-L477 HydrophobicContact CG2-CB 4.22Å; V463-L477 HydrophobicContact CG2-CD1 3.87Å; I465-L477 HydrophobicContact CD1-CD2 4.42Å; I465-L477 HydrophobicContact CG1-CD1 4.46Å; F471-L477 HydrophobicContact CB-CB 4.1Å; F471-L477 HydrophobicContact CD2-CB 3.58Å; F471-L477 HydrophobicContact CD2-CD1 3.89Å; F471-L477 HydrophobicContact CD2-CG 3.71Å; F471-L477 HydrophobicContact CE2-CB 4.1Å; F471-L477 HydrophobicContact CE2-CD1 4.3Å; F471-L477 HydrophobicContact CE2-CG 3.89Å; F471-L477 HydrophobicContact CG-CB 3.84Å; F471-L477 HydrophobicContact CG-CG 4.48Å; D473-L477 PolarHBondContact O-N 2.96Å; D473-L477 VanDerWaalsContact O-N 3.15Å; L477-Y481 HydrophobicContact CD2-CD2 3.85Å; L477-Y481 HydrophobicContact CD2-CE2 4.23Å; L477-Y481 HydrophobicContact CG-CD2 4.02Å; L477-Y481 HydrophobicContact CG-CE2 4.05Å; L477-Y481 VanDerWaalsContact O-CD2 3.23Å; L477-Y481 WeakPolarHBondContact O-CD2 3.47Å; L477-Y481 PolarHBondContact O-N 3.37Å; L477-Y481 VanDerWaalsContact O-N 3.12Å
478	V	97.4	Very high	95.7	Very high	9 Å²	9	60 Å²	60	6%	0.055	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-43.8	178.2	167.3	0	0	0	0	111.6	W398 F422 V424 L474 K475 H480 Y481 S482	W398-V478 HydrophobicContact CD2-CG1 4.43Å; W398-V478 HydrophobicContact CD2-CG2 3.99Å; W398-V478 HydrophobicContact CE3-CG2 3.95Å; W398-V478 HydrophobicContact CG-CG1 4.48Å; W398-V478 HydrophobicContact CH2-CG2 4.15Å; W398-V478 HydrophobicContact CZ2-CB 4.47Å; W398-V478 HydrophobicContact CZ2-CG2 4.2Å; W398-V478 HydrophobicContact CZ3-CG2 4.03Å; F422-V478 HydrophobicContact CE2-CG1 3.68Å; F422-V478 HydrophobicContact CE2-CG2 4.15Å; F422-V478 HydrophobicContact CZ-CG1 3.58Å; V424-V478 HydrophobicContact CG2-CG2 4.3Å; L474-V478 WeakPolarHBondContact O-CG2 3.23Å; L474-V478 PolarHBondContact O-N 2.99Å; K475-V478 PolarHBondContact O-N 2.95Å; V478-H480 PolarHBondContact O-N 3.19Å; V478-Y481 PolarHBondContact O-N 3Å; V478-S482 WeakPolarHBondContact O-CB 3.44Å; V478-S482 PolarHBondContact O-N 3.43Å; V478-S482 PolarHBondContact O-OG 3.39Å
479	I	97.2	Very high	95.8	Very high	91 Å²	91	52.5 Å²	52.5	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-44.6	177.9	-71.7	163.4	0	0	0	111.4	K475 S476 S482 N483	K475-I479 HydrophobicContact CG-CD1 4.07Å; K475-I479 WeakPolarHBondContact O-CB 3.46Å; K475-I479 WeakPolarHBondContact O-CD1 3.46Å; K475-I479 WeakPolarHBondContact O-CG1 3.18Å; K475-I479 PolarHBondContact O-N 2.76Å; S476-I479 PolarHBondContact O-N 2.86Å; I479-S482 PolarHBondContact O-N 2.76Å; I479-N483 PolarHBondContact O-N 2.55Å; I479-N483 VanDerWaalsContact O-N 3.16Å; I479-N483 PolarHBondContact O-ND2 2.94Å
480	H	97.8	Very high	95.9	Very high	25 Å²	25	50 Å²	50	12%	0.116	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-52	175.8	176	104.8	0	0	0	111.5	F471 S476 V478 S482 N483 Q484 D486	F471-H480 HydrophobicContact CD1-CB 4.37Å; F471-H480 HydrophobicContact CE1-CB 3.36Å; F471-H480 AromaticContact CE1-CG 3.48Å; F471-H480 VanDerWaalsContact CE1-CG 3.48Å; F471-H480 AromaticContact CE1-ND1 3.66Å; F471-H480 HydrophobicContact CZ-CB 3.62Å; F471-H480 AromaticContact CZ-CD2 3.51Å; F471-H480 AromaticContact CZ-CG 3.45Å; F471-H480 VanDerWaalsContact CZ-CG 3.45Å; F471-H480 AromaticContact CZ-ND1 3.85Å; F471-H480 AromaticContact CZ-NE2 3.9Å; S476-H480 PolarHBondContact O-N 2.66Å; V478-H480 PolarHBondContact O-N 3.19Å; H480-S482 VanDerWaalsContact C-N 3.27Å; H480-S482 PolarHBondContact O-N 3.04Å; H480-N483 PolarHBondContact O-N 2.86Å; H480-Q484 PolarHBondContact CE1-NE2 2.96Å; H480-Q484 PolarHBondContact ND1-NE2 2.77Å; H480-Q484 WeakPolarHBondContact O-CG 3.39Å; H480-Q484 PolarHBondContact O-N 2.81Å; H480-D486 IonicContact CD2-OD2 3.83Å; H480-D486 IonicContact CE1-OD2 2.76Å; H480-D486 IonicContact NE2-OD2 3.95Å; H480-D486 PolarHBondContact NE2-OD2 3.37Å
481	Y	98.1	Very high	96.1	Very high	2 Å²	2	49 Å²	49	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-72.5	-17.3	-177.2	-73.5	-60	0	0	0	114	I465 F471 L477 V478 Q484 D486 L488 C491 L492	I465-Y481 HydrophobicContact CD1-CD2 4.22Å; I465-Y481 HydrophobicContact CD1-CE2 3.75Å; I465-Y481 HydrophobicContact CG1-CE2 4.33Å; F471-Y481 AromaticContact CE2-CE2 3.87Å; F471-Y481 HydrophobicContact CE2-CE2 3.87Å; F471-Y481 HydrophobicContact CZ-CE2 4.18Å; L477-Y481 HydrophobicContact CD2-CD2 3.85Å; L477-Y481 HydrophobicContact CD2-CE2 4.23Å; L477-Y481 HydrophobicContact CG-CD2 4.02Å; L477-Y481 HydrophobicContact CG-CE2 4.05Å; L477-Y481 VanDerWaalsContact O-CD2 3.23Å; L477-Y481 WeakPolarHBondContact O-CD2 3.47Å; L477-Y481 PolarHBondContact O-N 3.37Å; L477-Y481 VanDerWaalsContact O-N 3.12Å; V478-Y481 PolarHBondContact O-N 3Å; Y481-Q484 WeakPolarHBondContact CA-O 3.41Å; Y481-D486 HydrophobicContact CD1-CB 4.36Å; Y481-D486 HydrophobicContact CE1-CB 3.86Å; Y481-L488 HydrophobicContact CD1-CD1 3.43Å; Y481-L488 VanDerWaalsContact CD1-CD1 3.43Å; Y481-L488 HydrophobicContact CD1-CG 3.63Å; Y481-L488 HydrophobicContact CD2-CD1 4.29Å; Y481-L488 HydrophobicContact CE1-CD1 4.06Å; Y481-L488 HydrophobicContact CE1-CD2 4.34Å; Y481-L488 HydrophobicContact CE1-CG 3.8Å; Y481-L488 HydrophobicContact CG-CD1 3.57Å; Y481-L488 HydrophobicContact CG-CG 4.26Å; Y481-C491 CarbonylContact O-C 3.54Å; Y481-C491 VanDerWaalsContact O-CA 3.32Å; Y481-C491 WeakPolarHBondContact O-CA 3.33Å; Y481-L492 PolarHBondContact O-N 3.03Å
482	S	97.7	Very high	96.1	Very high	45 Å²	45	48.6 Å²	48.6	32%	0.315	29%	0.289	S	S	.	.	H	α-helix	trans	-71.5	-37.9	164.8	-83.5	0	0	0	0	112.9	V478 I479 H480 L492	V478-S482 WeakPolarHBondContact O-CB 3.44Å; V478-S482 PolarHBondContact O-N 3.43Å; V478-S482 PolarHBondContact O-OG 3.39Å; I479-S482 PolarHBondContact O-N 2.76Å; H480-S482 VanDerWaalsContact C-N 3.27Å; H480-S482 PolarHBondContact O-N 3.04Å; S482-L492 WeakPolarHBondContact CA-O 3.42Å; S482-L492 WeakPolarHBondContact CB-O 3.41Å; S482-L492 PolarHBondContact OG-O 2.97Å
483	N	97.3	Very high	96.2	Very high	130 Å²	130	48 Å²	48	70%	0.695	28%	0.284	S	S	*	.	H	α-helix	trans	-78	-36.5	180	-68.5	-29.9	0	0	0	112.8	I479 H480	I479-N483 PolarHBondContact O-N 2.55Å; I479-N483 VanDerWaalsContact O-N 3.16Å; I479-N483 PolarHBondContact O-ND2 2.94Å; H480-N483 PolarHBondContact O-N 2.86Å
484	Q	95.8	Very high	96.4	Very high	102 Å²	102	48.8 Å²	48.8	48%	0.477	28%	0.281	S	S	.	.			trans	-146.9	140.6	-176	56.5	-174.6	-15.8	0	0	112.5	H480 Y481 D486	H480-Q484 PolarHBondContact CE1-NE2 2.96Å; H480-Q484 PolarHBondContact ND1-NE2 2.77Å; H480-Q484 WeakPolarHBondContact O-CG 3.39Å; H480-Q484 PolarHBondContact O-N 2.81Å; Y481-Q484 WeakPolarHBondContact CA-O 3.41Å; Q484-D486 HydrophobicContact CG-CB 4.32Å
485	A	95.1	Very high	96.5	Very high	29 Å²	29	49.8 Å²	49.8	24%	0.24	29%	0.289	C	S	.	.			trans	-68.5	-37.4	-175.5	0	0	0	0	0	113.1	G487 L488 C491	A485-G487 VanDerWaalsContact C-N 3.33Å; A485-G487 PolarHBondContact O-N 2.94Å; A485-G487 VanDerWaalsContact O-N 3.12Å; A485-L488 VanDerWaalsContact O-CB 3.23Å; A485-L488 WeakPolarHBondContact O-CB 3.14Å; A485-L488 VanDerWaalsContact O-CG 3.32Å; A485-L488 WeakPolarHBondContact O-CG 3.39Å; A485-L488 PolarHBondContact O-N 3.07Å; A485-C491 PolarHBondContact N-SG 2.99Å
486	D	94.2	Very high	96.6	Very high	73 Å²	73	45 Å²	45	39%	0.39	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.4	53.6	172.1	-173.4	33.9	0	0	0	114.9	H480 Y481 Q484	H480-D486 IonicContact CD2-OD2 3.83Å; H480-D486 IonicContact CE1-OD2 2.76Å; H480-D486 IonicContact NE2-OD2 3.95Å; H480-D486 PolarHBondContact NE2-OD2 3.37Å; Y481-D486 HydrophobicContact CD1-CB 4.36Å; Y481-D486 HydrophobicContact CE1-CB 3.86Å; Q484-D486 HydrophobicContact CG-CB 4.32Å
487	G	93.4	Very high	96.4	Very high	74 Å²	74	46.8 Å²	46.8	76%	0.763	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-9.4	-179.6	0	0	0	0	0	115.9	A485	A485-G487 VanDerWaalsContact C-N 3.33Å; A485-G487 PolarHBondContact O-N 2.94Å; A485-G487 VanDerWaalsContact O-N 3.12Å
488	L	95.7	Very high	96.1	Very high	15 Å²	15	49 Å²	49	8%	0.079	29%	0.288	C	S	.	.	S	Bend	trans	-75	161.7	165.3	-52.9	-171.9	0	0	0	111.3	L436 Y452 I465 Y481 A485 C490 L492	L436-L488 HydrophobicContact CD2-CD1 3.81Å; Y452-L488 HydrophobicContact CD1-CD2 3.53Å; Y452-L488 HydrophobicContact CD2-CD2 3.8Å; Y452-L488 HydrophobicContact CE1-CD2 3.61Å; Y452-L488 HydrophobicContact CE2-CB 4.46Å; Y452-L488 HydrophobicContact CE2-CD2 3.88Å; Y452-L488 HydrophobicContact CG-CD2 3.63Å; I465-L488 HydrophobicContact CD1-CD2 4.13Å; Y481-L488 HydrophobicContact CD1-CD1 3.43Å; Y481-L488 VanDerWaalsContact CD1-CD1 3.43Å; Y481-L488 HydrophobicContact CD1-CG 3.63Å; Y481-L488 HydrophobicContact CD2-CD1 4.29Å; Y481-L488 HydrophobicContact CE1-CD1 4.06Å; Y481-L488 HydrophobicContact CE1-CD2 4.34Å; Y481-L488 HydrophobicContact CE1-CG 3.8Å; Y481-L488 HydrophobicContact CG-CD1 3.57Å; Y481-L488 HydrophobicContact CG-CG 4.26Å; A485-L488 VanDerWaalsContact O-CB 3.23Å; A485-L488 WeakPolarHBondContact O-CB 3.14Å; A485-L488 VanDerWaalsContact O-CG 3.32Å; A485-L488 WeakPolarHBondContact O-CG 3.39Å; A485-L488 PolarHBondContact O-N 3.07Å; L488-C490 PolarHBondContact O-N 2.98Å; L488-L492 HydrophobicContact CD1-CD2 4.11Å; L488-L492 HydrophobicContact CD1-CG 4.41Å
489	C	94	Very high	95.6	Very high	32 Å²	32	51.9 Å²	51.9	22%	0.216	31%	0.307	C	S	.	.	S	Bend	trans	-61.3	-29.6	176.9	51.9	0	0	0	0	114	R419 D440 K450 Y452	R419-C489 PolarHBondContact NH2-O 3.19Å; D440-C489 HydrophobicContact CB-CB 4.48Å; D440-C489 VanDerWaalsContact OD2-CB 3.27Å; D440-C489 WeakPolarHBondContact OD2-CB 3.31Å; K450-C489 HydrophobicContact CG-CB 4.12Å; Y452-C489 PolarHBondContact OH-N 2.99Å
490	C	95.4	Very high	95.2	Very high	11 Å²	11	51.1 Å²	51.1	7%	0.074	31%	0.308	C	S	.	.	S	Bend	trans	-160.5	164.1	175.4	38.7	0	0	0	0	110.2	L488	L488-C490 PolarHBondContact O-N 2.98Å
491	C	97.7	Very high	94.5	Very high	47 Å²	47	51.7 Å²	51.7	32%	0.318	31%	0.313	S	S	.	.			trans	-62.9	148.9	165.6	-47.7	0	0	0	0	110.4	Y481 A485 T493	Y481-C491 CarbonylContact O-C 3.54Å; Y481-C491 VanDerWaalsContact O-CA 3.32Å; Y481-C491 WeakPolarHBondContact O-CA 3.33Å; A485-C491 PolarHBondContact N-SG 2.99Å; C491-T493 PolarHBondContact O-N 2.81Å
492	L	98.3	Very high	93.4	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.016	34%	0.338	C	S	.	.			trans	-77	108.9	178.7	-55.9	-177.1	0	0	0	110.4	F422 L436 V438 Y481 S482 L488	F422-L492 HydrophobicContact CB-CD2 3.82Å; F422-L492 HydrophobicContact CD1-CB 3.59Å; F422-L492 HydrophobicContact CD1-CD1 4.46Å; F422-L492 HydrophobicContact CD1-CD2 4.32Å; F422-L492 HydrophobicContact CD1-CG 4.32Å; F422-L492 HydrophobicContact CD2-CD1 4Å; F422-L492 HydrophobicContact CE1-CB 3.74Å; F422-L492 HydrophobicContact CE2-CD1 4.12Å; F422-L492 HydrophobicContact CG-CB 4.04Å; F422-L492 HydrophobicContact CG-CD1 4.17Å; F422-L492 HydrophobicContact CG-CD2 3.98Å; F422-L492 HydrophobicContact CG-CG 4.28Å; F422-L492 HydrophobicContact CZ-CB 4.31Å; F422-L492 HydrophobicContact CZ-CD1 4.42Å; L436-L492 HydrophobicContact CD1-CD1 4.08Å; L436-L492 HydrophobicContact CD1-CD2 4.24Å; L436-L492 HydrophobicContact CD2-CD1 4.13Å; L436-L492 HydrophobicContact CD2-CD2 4.21Å; V438-L492 HydrophobicContact CG1-CD2 4.05Å; V438-L492 HydrophobicContact CG2-CD2 3.61Å; Y481-L492 PolarHBondContact O-N 3.03Å; S482-L492 WeakPolarHBondContact CA-O 3.42Å; S482-L492 WeakPolarHBondContact CB-O 3.41Å; S482-L492 PolarHBondContact OG-O 2.97Å; L488-L492 HydrophobicContact CD1-CD2 4.11Å; L488-L492 HydrophobicContact CD1-CG 4.41Å
493	T	97.7	Very high	92.3	Very high	78 Å²	78	54.9 Å²	54.9	48%	0.479	33%	0.331	S	S	.	.			trans	-86.8	-42	-170.2	55.3	0	0	0	0	113.8	R419 G420 T421 C491	R419-T493 WeakPolarHBondContact O-CG2 3.4Å; R419-T493 PolarHBondContact O-OG1 2.94Å; G420-T493 WeakPolarHBondContact CA-OG1 3.42Å; G420-T493 PolarHBondContact O-N 3.45Å; G420-T493 PolarHBondContact O-OG1 3.17Å; T421-T493 PolarHBondContact N-OG1 2.91Å; C491-T493 PolarHBondContact O-N 2.81Å
494	R	96.8	Very high	91.2	Very high	91 Å²	91	49.7 Å²	49.7	34%	0.343	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	153	175.9	69.4	-177.6	-157.3	-163.2	5.8	112.8	G416 N417 T421 F422	G416-R494 PolarHBondContact O-NH2 2.98Å; N417-R494 PolarHBondContact OD1-NH2 3.47Å; T421-R494 VanDerWaalsContact CA-O 3.3Å; T421-R494 WeakPolarHBondContact CA-O 3.48Å; T421-R494 HydrophobicContact CG2-CG 4.21Å; F422-R494 VanDerWaalsContact CD1-C 3.45Å; F422-R494 WeakPolarHBondContact CD1-O 3.38Å; F422-R494 WeakPolarHBondContact CE1-O 3.4Å; F422-R494 PolarHBondContact N-O 2.65Å
495	P	97.5	Very high	90.6	Very high	47 Å²	47	45.5 Å²	45.5	31%	0.305	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	144	167.4	-25.5	35.2	0	0	0	112.2	D397 W398 F422	D397-P495 HydrophobicContact CB-CB 4.15Å; D397-P495 HydrophobicContact CB-CG 4.23Å; W398-P495 HydrophobicContact CB-CB 4.02Å; W398-P495 HydrophobicContact CB-CG 4.14Å; F422-P495 HydrophobicContact CZ-CG 4.4Å; F422-P495 CarbonylContact O-C 3.59Å; F422-P495 WeakPolarHBondContact O-CA 3.34Å
496	C	97.4	Very high	90.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	28%	0.275	C	S	.	.			trans	-64.1	130.5	167.6	-169	0	0	0	0	109	F400 L412 T421 F422 L423 R498	F400-C496 HydrophobicContact CE2-CB 4.31Å; F400-C496 HydrophobicContact CZ-CB 4.1Å; F400-C496 WeakPolarHBondContact CZ-O 3.49Å; L412-C496 HydrophobicContact CD2-CB 3.8Å; T421-C496 HydrophobicContact CG2-CB 4.09Å; F422-C496 WeakPolarHBondContact O-CB 3.44Å; F422-C496 PolarHBondContact O-N 3.37Å; L423-C496 HydrophobicContact CB-CB 4.16Å; L423-C496 HydrophobicContact CD2-CB 3.96Å; C496-R498 PolarHBondContact O-N 3.11Å
497	P	93.5	Very high	89.6	Confident	77 Å²	77	41 Å²	41	50%	0.5	26%	0.258	S	S	.	.			trans	-55.8	114	174.6	-26.7	35.6	0	0	0	111.1	N417 P499	N417-P497 WeakPolarHBondContact OD1-CD 3.47Å; P497-P499 WeakPolarHBondContact O-CD 3.39Å
498	R	90.4	Very high	89.3	Confident	47 Å²	47	40.2 Å²	40.2	18%	0.177	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-78.2	119.7	178.3	-168.2	-176	-58.8	173.5	10.5	109	F342 E394 E396 D397 Y399 F400 C496	F342-R498 HydrophobicContact CE1-CB 4.1Å; F342-R498 HydrophobicContact CE1-CG 3.84Å; F342-R498 HydrophobicContact CZ-CB 4.47Å; F342-R498 HydrophobicContact CZ-CG 3.73Å; E394-R498 PolarHBondContact O-NH1 3.01Å; E396-R498 PolarHBondContact O-NH2 3.02Å; D397-R498 PolarHBondContact O-NH2 3.29Å; Y399-R498 PolarHBondContact O-NH1 3.28Å; Y399-R498 PolarHBondContact O-NH2 3Å; F400-R498 HydrophobicContact CD1-CG 4.24Å; F400-R498 HydrophobicContact CE1-CB 3.99Å; F400-R498 HydrophobicContact CE1-CG 3.76Å; F400-R498 HydrophobicContact CE2-CB 4.15Å; F400-R498 HydrophobicContact CE2-CG 4.37Å; F400-R498 HydrophobicContact CZ-CB 3.59Å; F400-R498 HydrophobicContact CZ-CG 3.84Å; C496-R498 PolarHBondContact O-N 3.11Å
499	P	86.8	Confident	88.6	Confident	69 Å²	69	43 Å²	43	45%	0.448	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-67.7	141.2	171.8	28.7	-33.4	0	0	0	109.7	L411 P497	L411-P499 HydrophobicContact CD1-CG 4.26Å; L411-P499 HydrophobicContact CD2-CG 4.37Å; P497-P499 WeakPolarHBondContact O-CD 3.39Å
500	P	88	Confident	88	Confident	75 Å²	75	41.7 Å²	41.7	49%	0.487	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-57.4	138.5	170.7	-24.3	34.4	0	0	0	111.3	F342 V502	F342-P500 HydrophobicContact CD1-CB 4.09Å; F342-P500 HydrophobicContact CD1-CG 3.99Å; F342-P500 HydrophobicContact CE1-CB 4.44Å; F342-P500 HydrophobicContact CE1-CG 4.46Å; F342-P500 HydrophobicContact CG-CB 4.33Å; P500-V502 PolarHBondContact O-N 3.23Å
501	P	84	Confident	87.1	Confident	37 Å²	37	43.7 Å²	43.7	24%	0.24	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-71.6	122.6	177.9	28.3	-32.8	0	0	0	109.5	F342 Y386 P503	F342-P501 HydrophobicContact CD2-CG 4.41Å; F342-P501 HydrophobicContact CE2-CG 3.95Å; Y386-P501 HydrophobicContact CD2-CG 3.88Å; Y386-P501 HydrophobicContact CE2-CG 3.82Å; Y386-P501 WeakPolarHBondContact CE2-O 3.39Å; Y386-P501 PolarHBondContact OH-O 3.16Å; P501-P503 VanDerWaalsContact O-CD 3.28Å; P501-P503 WeakPolarHBondContact O-CD 3.34Å
502	V	75.2	Confident	85.9	Confident	85 Å²	85	46.4 Å²	46.4	52%	0.515	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-69.6	120.3	176.6	-176.6	0	0	0	0	109.4	P500 R578 Y580	P500-V502 PolarHBondContact O-N 3.23Å; V502-R578 PolarHBondContact O-NH1 3.03Å; V502-Y580 WeakPolarHBondContact CG1-OH 3.38Å
503	P	73.5	Confident	85	Confident	28 Å²	28	53.1 Å²	53.1	18%	0.182	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-53.9	145.3	177.8	-28.4	37.3	0	0	0	113.3	W370 P383 Y386 P501 D505 R578	W370-P503 HydrophobicContact CZ2-CB 4.33Å; P383-P503 HydrophobicContact CG-CG 4.21Å; Y386-P503 HydrophobicContact CE2-CG 4.24Å; P501-P503 VanDerWaalsContact O-CD 3.28Å; P501-P503 WeakPolarHBondContact O-CD 3.34Å; P503-D505 VanDerWaalsContact C-N 3.32Å; P503-D505 WeakPolarHBondContact CB-O 3.41Å; P503-R578 VanDerWaalsContact C-NH1 3.31Å; P503-R578 PolarHBondContact O-NH1 3.01Å
504	T	74.2	Confident	84.3	Confident	22 Å²	22	51.7 Å²	51.7	14%	0.135	27%	0.272	C	S	.	.	S	Bend	trans	-65.2	-34.7	179.9	19.5	0	0	0	0	112.5	Y292 E369 R578	Y292-T504 HydrophobicContact CE2-CG2 4.39Å; E369-T504 WeakPolarHBondContact OE1-CB 3Å; E369-T504 WeakPolarHBondContact OE1-CG2 3.34Å; E369-T504 PolarHBondContact OE1-OG1 3.45Å; T504-R578 WeakPolarHBondContact O-CD 3.47Å
505	D	83	Confident	84	Confident	14 Å²	14	51.3 Å²	51.3	8%	0.075	27%	0.274	C	S	.	.	S	Bend	trans	-129.3	169	178.3	-60.5	-86.2	0	0	0	110.7	P503 S507 R511	P503-D505 VanDerWaalsContact C-N 3.32Å; P503-D505 WeakPolarHBondContact CB-O 3.41Å; D505-S507 VanDerWaalsContact C-N 3.34Å; D505-R511 HydrophobicContact CB-CB 4.25Å; D505-R511 VanDerWaalsContact CG-CA 3.46Å; D505-R511 VanDerWaalsContact OD1-CA 3.3Å; D505-R511 WeakPolarHBondContact OD1-CA 3.33Å; D505-R511 VanDerWaalsContact OD2-CB 3.32Å; D505-R511 WeakPolarHBondContact OD2-CB 3.42Å; D505-R511 WeakPolarHBondContact OD2-CG 3.49Å
506	L	85.2	Confident	83.7	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.016	26%	0.263	C	S	.	.	S	Bend	trans	-69.7	-34	179.5	-61.3	167.3	0	0	0	112.3	T510 I516 W540 I544 V546 Y580 A581	L506-T510 HydrophobicContact CB-CG2 4.22Å; L506-T510 HydrophobicContact CD1-CG2 4.45Å; L506-T510 PolarHBondContact N-OG1 2.67Å; L506-T510 VanDerWaalsContact N-OG1 3.15Å; L506-I516 HydrophobicContact CD1-CD1 4.42Å; L506-W540 HydrophobicContact CB-CD2 4.15Å; L506-W540 HydrophobicContact CB-CE3 3.92Å; L506-W540 HydrophobicContact CB-CH2 3.74Å; L506-W540 HydrophobicContact CB-CZ2 4.01Å; L506-W540 HydrophobicContact CB-CZ3 3.7Å; L506-W540 HydrophobicContact CD1-CD2 3.94Å; L506-W540 HydrophobicContact CD1-CE3 4.49Å; L506-W540 HydrophobicContact CD1-CG 4.04Å; L506-W540 HydrophobicContact CD1-CZ2 4.47Å; L506-W540 HydrophobicContact CD2-CD2 4.42Å; L506-W540 HydrophobicContact CD2-CE3 4.3Å; L506-W540 HydrophobicContact CG-CD2 4.39Å; L506-W540 HydrophobicContact CG-CE3 4.46Å; L506-W540 WeakPolarHBondContact O-CZ3 3.46Å; L506-I544 HydrophobicContact CB-CD1 4.25Å; L506-I544 HydrophobicContact CD2-CD1 3.78Å; L506-I544 HydrophobicContact CD2-CG2 4.21Å; L506-V546 HydrophobicContact CD2-CG1 4.11Å; L506-Y580 HydrophobicContact CD2-CD1 4.41Å; L506-Y580 HydrophobicContact CD2-CD2 3.65Å; L506-Y580 HydrophobicContact CD2-CE2 4.16Å; L506-Y580 HydrophobicContact CD2-CG 3.79Å; L506-Y580 HydrophobicContact CG-CD2 4.43Å; L506-Y580 HydrophobicContact CG-CG 4.09Å; L506-A581 HydrophobicContact CD1-CB 3.88Å
507	S	84.7	Confident	83.5	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.028	29%	0.287	C	S	.	.	S	Bend	trans	-155.5	167.2	174.3	65	0	0	0	0	110.4	E351 W370 D505 L509 T510	E351-S507 WeakPolarHBondContact OE1-CB 3.15Å; W370-S507 VanDerWaalsContact CZ2-C 3.49Å; W370-S507 VanDerWaalsContact CZ2-CA 3.5Å; D505-S507 VanDerWaalsContact C-N 3.34Å; S507-L509 VanDerWaalsContact C-N 3.26Å; S507-L509 PolarHBondContact O-N 3.12Å; S507-T510 PolarHBondContact N-OG1 2.66Å; S507-T510 PolarHBondContact O-N 3Å; S507-T510 PolarHBondContact O-OG1 2.67Å; S507-T510 PolarHBondContact OG-N 3.01Å
508	R	85.7	Confident	83.5	Confident	58 Å²	58	53.4 Å²	53.4	22%	0.219	28%	0.277	C	S	.	.	H	α-helix	trans	-50	-45.6	171.9	-175.9	177.4	161.7	-90.2	-5	112.8	D367 W370 Y381 T510 R511	D367-R508 IonicContact OD2-NE 3.73Å; D367-R508 PolarHBondContact OD2-NE 3.19Å; W370-R508 HydrophobicContact CB-CB 3.68Å; W370-R508 HydrophobicContact CB-CG 3.68Å; W370-R508 HydrophobicContact CD2-CB 3.77Å; W370-R508 VanDerWaalsContact CE2-N 3.35Å; W370-R508 HydrophobicContact CE3-CB 4.2Å; W370-R508 HydrophobicContact CG-CB 3.53Å; W370-R508 HydrophobicContact CG-CG 3.93Å; Y381-R508 VanDerWaalsContact CD1-CD 3.47Å; Y381-R508 PolarHBondContact OH-NH1 3.41Å; R508-T510 VanDerWaalsContact C-N 3.29Å; R508-T510 PolarHBondContact O-N 2.82Å; R508-R511 PolarHBondContact O-N 2.83Å
509	L	82.6	Confident	83.8	Confident	73 Å²	73	56.5 Å²	56.5	38%	0.382	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-39.4	179.1	-68.9	179.2	0	0	0	112	S507 R511 D512 Q513	S507-L509 VanDerWaalsContact C-N 3.26Å; S507-L509 PolarHBondContact O-N 3.12Å; L509-R511 PolarHBondContact O-N 2.7Å; L509-D512 PolarHBondContact O-N 2.93Å; L509-Q513 PolarHBondContact O-N 3.34Å
510	T	81.3	Confident	84.1	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-38.1	-177.5	47.4	0	0	0	0	112.9	L506 S507 R508 D512 Q513 W514 I516	L506-T510 HydrophobicContact CB-CG2 4.22Å; L506-T510 HydrophobicContact CD1-CG2 4.45Å; L506-T510 PolarHBondContact N-OG1 2.67Å; L506-T510 VanDerWaalsContact N-OG1 3.15Å; S507-T510 PolarHBondContact N-OG1 2.66Å; S507-T510 PolarHBondContact O-N 3Å; S507-T510 PolarHBondContact O-OG1 2.67Å; S507-T510 PolarHBondContact OG-N 3.01Å; R508-T510 VanDerWaalsContact C-N 3.29Å; R508-T510 PolarHBondContact O-N 2.82Å; T510-D512 PolarHBondContact O-N 2.75Å; T510-D512 VanDerWaalsContact O-N 3.11Å; T510-Q513 CarbonylContact O-C 3.56Å; T510-Q513 PolarHBondContact O-N 3.2Å; T510-W514 PolarHBondContact O-N 3.05Å; T510-W514 VanDerWaalsContact O-N 3.09Å; T510-I516 HydrophobicContact CG2-CG2 3.72Å
511	R	76.5	Confident	84.5	Confident	53 Å²	53	51.5 Å²	51.5	20%	0.2	27%	0.274	C	S	.	.	H	α-helix	trans	-48.2	-46.1	179.2	-173.8	-167.3	63.1	-139.9	-14.6	113	D367 D505 R508 L509 W514	D367-R511 IonicContact OD1-CZ 2.91Å; D367-R511 IonicContact OD1-NH1 3.76Å; D367-R511 PolarHBondContact OD1-NH1 3.37Å; D367-R511 IonicContact OD2-CZ 3.98Å; D367-R511 IonicContact OD2-NH1 3.12Å; D367-R511 PolarHBondContact OD2-NH1 2.93Å; D367-R511 IonicContact OD2-NH2 3.45Å; D367-R511 PolarHBondContact OD2-NH2 2.8Å; D505-R511 HydrophobicContact CB-CB 4.25Å; D505-R511 VanDerWaalsContact CG-CA 3.46Å; D505-R511 VanDerWaalsContact OD1-CA 3.3Å; D505-R511 WeakPolarHBondContact OD1-CA 3.33Å; D505-R511 VanDerWaalsContact OD2-CB 3.32Å; D505-R511 WeakPolarHBondContact OD2-CB 3.42Å; D505-R511 WeakPolarHBondContact OD2-CG 3.49Å; R508-R511 PolarHBondContact O-N 2.83Å; L509-R511 PolarHBondContact O-N 2.7Å; R511-W514 PolarHBondContact O-NE1 2.74Å
512	D	72.7	Confident	85.1	Confident	103 Å²	103	54.8 Å²	54.8	55%	0.551	28%	0.284	S	S	*	.	H	α-helix	trans	-91.7	-24.9	-176.7	-55.7	-29.5	0	0	0	111.4	L509 T510	L509-D512 PolarHBondContact O-N 2.93Å; T510-D512 PolarHBondContact O-N 2.75Å; T510-D512 VanDerWaalsContact O-N 3.11Å
513	Q	79	Confident	86.1	Confident	144 Å²	144	53.5 Å²	53.5	67%	0.673	27%	0.274	S	S	*	.			trans	-135.8	81.2	-179.1	-62.6	-175.1	45.4	0	0	112.8	L509 T510 E515	L509-Q513 PolarHBondContact O-N 3.34Å; T510-Q513 CarbonylContact O-C 3.56Å; T510-Q513 PolarHBondContact O-N 3.2Å; Q513-E515 PolarHBondContact O-N 2.94Å
514	W	83.1	Confident	87.2	Confident	48 Å²	48	56.4 Å²	56.4	18%	0.182	29%	0.287	C	S	.	.			trans	-71.1	-8.9	-178.4	-54.3	-50.7	0	0	0	116.6	T510 R511 I516 K569 L579 A581 V582	T510-W514 PolarHBondContact O-N 3.05Å; T510-W514 VanDerWaalsContact O-N 3.09Å; R511-W514 PolarHBondContact O-NE1 2.74Å; W514-I516 PolarHBondContact O-N 3.36Å; W514-K569 HydrophobicContact CE3-CD 4.31Å; W514-K569 VanDerWaalsContact CE3-NZ 3.35Å; W514-K569 VanDerWaalsContact CH2-CA 3.46Å; W514-K569 HydrophobicContact CH2-CB 3.19Å; W514-K569 HydrophobicContact CH2-CD 3.41Å; W514-K569 VanDerWaalsContact CH2-CD 3.41Å; W514-K569 HydrophobicContact CH2-CG 3.13Å; W514-K569 HydrophobicContact CZ2-CB 4.08Å; W514-K569 HydrophobicContact CZ2-CD 4.05Å; W514-K569 HydrophobicContact CZ2-CG 3.67Å; W514-K569 HydrophobicContact CZ3-CB 3.82Å; W514-K569 HydrophobicContact CZ3-CD 3.45Å; W514-K569 VanDerWaalsContact CZ3-CD 3.45Å; W514-K569 HydrophobicContact CZ3-CG 3.75Å; W514-K569 VanDerWaalsContact CZ3-NZ 3.28Å; W514-L579 HydrophobicContact CH2-CD2 3.64Å; W514-L579 HydrophobicContact CZ2-CD2 4.27Å; W514-L579 HydrophobicContact CZ3-CD2 4.1Å; W514-A581 WeakPolarHBondContact O-CB 3.39Å; W514-V582 PolarHBondContact O-N 2.97Å
515	E	90	Very high	88.2	Confident	84 Å²	84	60.4 Å²	60.4	39%	0.393	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-79	103.8	176	-176.3	163.4	161.8	0	0	109.6	Q513 V582 T584	Q513-E515 PolarHBondContact O-N 2.94Å; E515-V582 WeakPolarHBondContact CA-O 3.46Å; E515-T584 HydrophobicContact CG-CG2 4.28Å; E515-T584 PolarHBondContact OE1-OG1 3.4Å; E515-T584 WeakPolarHBondContact OE2-CB 3.45Å; E515-T584 WeakPolarHBondContact OE2-CG2 3.48Å; E515-T584 PolarHBondContact OE2-OG1 3.02Å
516	I	92	Very high	88.8	Confident	16 Å²	16	63.5 Å²	63.5	8%	0.082	32%	0.32	C	S	.	.			trans	-96.4	149.4	177.8	60.2	174.5	0	0	0	110.9	L506 T510 W514 L521 A581 V582 V583 I591	L506-I516 HydrophobicContact CD1-CD1 4.42Å; T510-I516 HydrophobicContact CG2-CG2 3.72Å; W514-I516 PolarHBondContact O-N 3.36Å; I516-L521 HydrophobicContact CD1-CD1 3.86Å; I516-L521 HydrophobicContact CD1-CD2 3.98Å; I516-L521 HydrophobicContact CD1-CG 3.93Å; I516-L521 HydrophobicContact CG1-CD1 4.45Å; I516-A581 HydrophobicContact CD1-CB 3.59Å; I516-A581 HydrophobicContact CG1-CB 3.85Å; I516-A581 HydrophobicContact CG2-CB 3.99Å; I516-V582 PolarHBondContact N-O 3.16Å; I516-V583 HydrophobicContact CG1-CG2 4.11Å; I516-I591 HydrophobicContact CD1-CD1 4.09Å; I516-I591 HydrophobicContact CD1-CG1 4.28Å; I516-I591 HydrophobicContact CG1-CD1 4.43Å
517	S	92.6	Very high	89.1	Confident	73 Å²	73	67.2 Å²	67.2	51%	0.51	34%	0.34	S	S	.	.			trans	-64.3	138.3	171.1	177	0	0	0	0	110.3	S519 S520	S517-S519 PolarHBondContact O-N 3.38Å; S517-S519 VanDerWaalsContact O-N 3.11Å; S517-S519 PolarHBondContact OG-N 3.08Å; S517-S519 VanDerWaalsContact OG-N 3.16Å; S517-S519 PolarHBondContact OG-OG 3.34Å; S517-S520 WeakPolarHBondContact O-CB 3.48Å; S517-S520 PolarHBondContact O-N 3.29Å; S517-S520 PolarHBondContact O-OG 3.28Å
518	R	94.1	Very high	89.2	Confident	80 Å²	80	68.7 Å²	68.7	30%	0.302	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-55.7	-28.6	170.7	-171.2	174.6	-62.1	121.7	14.3	112.5	S520 L521 V583 A585 E586 P587 Y589	R518-S520 PolarHBondContact O-N 3.47Å; R518-L521 PolarHBondContact O-N 2.99Å; R518-V583 HydrophobicContact CB-CG1 4.17Å; R518-A585 PolarHBondContact NH2-O 3.43Å; R518-E586 VanDerWaalsContact CZ-O 3.28Å; R518-E586 PolarHBondContact NH1-O 3.45Å; R518-E586 PolarHBondContact NH2-O 2.85Å; R518-P587 PolarHBondContact NH2-O 2.88Å; R518-Y589 HydrophobicContact CG-CE2 3.88Å
519	S	94.8	Very high	89.2	Confident	112 Å²	112	69.1 Å²	69.1	78%	0.783	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-66.3	-15.1	177	65	0	0	0	0	114.1	S517 L521	S517-S519 PolarHBondContact O-N 3.38Å; S517-S519 VanDerWaalsContact O-N 3.11Å; S517-S519 PolarHBondContact OG-N 3.08Å; S517-S519 VanDerWaalsContact OG-N 3.16Å; S517-S519 PolarHBondContact OG-OG 3.34Å; S519-L521 VanDerWaalsContact C-N 3.3Å
520	S	94.1	Very high	88.8	Confident	21 Å²	21	67.7 Å²	67.7	15%	0.147	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-82	-4.6	171.8	68.3	0	0	0	0	113.5	S517 R518 W540 N541	S517-S520 WeakPolarHBondContact O-CB 3.48Å; S517-S520 PolarHBondContact O-N 3.29Å; S517-S520 PolarHBondContact O-OG 3.28Å; R518-S520 PolarHBondContact O-N 3.47Å; S520-W540 CarbonylContact O-C 3.08Å; S520-W540 VanDerWaalsContact O-CA 3.29Å; S520-W540 WeakPolarHBondContact O-CA 3.44Å; S520-W540 PolarHBondContact OG-NE1 2.96Å; S520-N541 WeakPolarHBondContact CB-OD1 3.23Å; S520-N541 PolarHBondContact O-N 3.35Å
521	L	95.9	Very high	88.3	Confident	19 Å²	19	74.3 Å²	74.3	10%	0.099	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.5	-175.2	-66.9	170.8	0	0	0	112.1	I516 R518 S519 W540 V546 V583 Y589 I591	I516-L521 HydrophobicContact CD1-CD1 3.86Å; I516-L521 HydrophobicContact CD1-CD2 3.98Å; I516-L521 HydrophobicContact CD1-CG 3.93Å; I516-L521 HydrophobicContact CG1-CD1 4.45Å; R518-L521 PolarHBondContact O-N 2.99Å; S519-L521 VanDerWaalsContact C-N 3.3Å; L521-W540 HydrophobicContact CD2-CB 4.01Å; L521-W540 HydrophobicContact CD2-CG 4.35Å; L521-V546 HydrophobicContact CD2-CG2 4.26Å; L521-V583 HydrophobicContact CD1-CG2 3.75Å; L521-Y589 HydrophobicContact CD1-CD2 3.94Å; L521-I591 HydrophobicContact CD1-CD1 3.84Å; L521-I591 HydrophobicContact CD1-CG1 3.78Å; L521-I591 HydrophobicContact CD2-CG1 4.23Å
522	K	96.6	Very high	88	Confident	105 Å²	105	76 Å²	76	46%	0.457	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.7	169.2	-175.9	178.5	-175.8	-178.1	0	109.3	I524 G538 K539 E542	K522-I524 HydrophobicContact CG-CG1 4.36Å; K522-G538 CarbonylContact O-C 3.49Å; K522-G538 WeakPolarHBondContact O-CA 3.14Å; K522-K539 PolarHBondContact N-O 3.17Å; K522-K539 PolarHBondContact O-N 3.27Å; K522-E542 WeakPolarHBondContact CB-OE1 3.49Å; K522-E542 VanDerWaalsContact CD-CD 3.48Å; K522-E542 WeakPolarHBondContact CD-OE1 3.37Å; K522-E542 VanDerWaalsContact CD-OE2 3.22Å; K522-E542 WeakPolarHBondContact CD-OE2 3.49Å; K522-E542 IonicContact NZ-OE1 2.67Å; K522-E542 IonicContact NZ-OE2 2.92Å; K522-E542 PolarHBondContact NZ-OE2 3.14Å
523	L	96.3	Very high	88.4	Confident	59 Å²	59	71.5 Å²	71.5	31%	0.309	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.8	170.2	-54.5	-175.3	0	0	0	109	W536 V548	L523-W536 HydrophobicContact CB-CD2 4.42Å; L523-W536 HydrophobicContact CB-CE3 4.04Å; L523-W536 HydrophobicContact CD1-CD2 4.22Å; L523-W536 HydrophobicContact CD1-CG 4.22Å; L523-W536 HydrophobicContact CD2-CB 4.05Å; L523-V548 HydrophobicContact CD2-CB 3.91Å; L523-V548 HydrophobicContact CD2-CG1 3.98Å; L523-V548 HydrophobicContact CD2-CG2 3.94Å
524	I	96.6	Very high	88.9	Confident	88 Å²	88	67.3 Å²	67.3	45%	0.451	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-50.2	-170.7	-64.2	177.4	0	0	0	111.5	K522 K537 K539	K522-I524 HydrophobicContact CG-CG1 4.36Å; I524-K537 PolarHBondContact N-O 3.03Å; I524-K539 HydrophobicContact CD1-CB 3.92Å
525	E	96	Very high	89.4	Confident	107 Å²	107	67.6 Å²	67.6	50%	0.5	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.8	-171.2	-175.8	-170.1	165.9	0	0	110.2	L527 W536 K537	E525-L527 PolarHBondContact O-N 2.85Å; E525-W536 CarbonylContact O-C 3.58Å; E525-W536 VanDerWaalsContact O-CA 3.23Å; E525-W536 WeakPolarHBondContact O-CA 3.48Å; E525-K537 HydrophobicContact CB-CB 4.04Å; E525-K537 PolarHBondContact N-O 3.05Å; E525-K537 PolarHBondContact O-N 2.99Å
526	L	94.8	Very high	89.7	Confident	79 Å²	79	66.8 Å²	66.8	41%	0.414	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	103.6	173.4	175.9	63.7	0	0	0	109.6	E534 W536	L526-E534 HydrophobicContact CD1-CB 3.83Å; L526-E534 HydrophobicContact CD1-CG 4.38Å; L526-W536 HydrophobicContact CB-CD2 4.3Å; L526-W536 HydrophobicContact CB-CE3 4.22Å; L526-W536 HydrophobicContact CB-CH2 4.2Å; L526-W536 HydrophobicContact CB-CZ2 4.26Å; L526-W536 HydrophobicContact CB-CZ3 4.17Å; L526-W536 HydrophobicContact CD1-CD2 4.23Å; L526-W536 HydrophobicContact CD1-CG 4.42Å; L526-W536 HydrophobicContact CD1-CZ2 4.19Å
527	L	92	Very high	89.9	Confident	81 Å²	81	68 Å²	68	42%	0.424	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-28.9	179.9	-63.2	171.1	0	0	0	112.4	E525 V535 K537 L594	E525-L527 PolarHBondContact O-N 2.85Å; L527-V535 WeakPolarHBondContact CA-O 3.49Å; L527-V535 HydrophobicContact CB-CG1 4.49Å; L527-V535 WeakPolarHBondContact CB-O 3.35Å; L527-V535 HydrophobicContact CD1-CG1 4.36Å; L527-V535 PolarHBondContact N-O 2.82Å; L527-K537 HydrophobicContact CD1-CB 3.94Å; L527-K537 HydrophobicContact CD2-CB 4.14Å; L527-K537 HydrophobicContact CG-CB 3.98Å; L527-L594 HydrophobicContact CD1-CD1 3.67Å
528	G	86.6	Confident	90.1	Very high	34 Å²	34	64.5 Å²	64.5	35%	0.351	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	155.6	174.9	0	0	0	0	0	114	E534 V535	G528-E534 WeakPolarHBondContact O-CA 3.21Å; G528-V535 PolarHBondContact N-O 2.88Å; G528-V535 VanDerWaalsContact N-O 3.17Å; G528-V535 PolarHBondContact O-N 3.46Å
529	A	85.2	Confident	90.2	Very high	67 Å²	67	63.7 Å²	63.7	55%	0.554	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.5	177.9	0	0	0	0	0	110.4	E534	A529-E534 HydrophobicContact CB-CG 4.28Å
530	G	74.7	Confident	90.2	Very high	44 Å²	44	58.8 Å²	58.8	45%	0.454	32%	0.316	S	S	.	.			trans	-101.7	-175	178.3	0	0	0	0	0	113.2	G533 K552	G530-G533 PolarHBondContact N-O 3.3Å; G530-K552 PolarHBondContact O-NZ 3.34Å
531	Q	71.5	Confident	90.2	Very high	143 Å²	143	60.7 Å²	60.7	67%	0.668	33%	0.325	S	S	*	.	S	Bend	trans	-62.9	-44.3	172.9	179.4	-179.8	-31.5	0	0	111.5	T555	Q531-T555 WeakPolarHBondContact O-CG2 3.18Å
532	F	70.7	Confident	90	Very high	88 Å²	88	64.2 Å²	64.2	39%	0.386	34%	0.341	S	S	.	.	S	Bend	trans	-87.2	-28.9	-172.9	-52.6	-69.4	0	0	0	113.6	K552 T555 M556	F532-K552 WeakPolarHBondContact O-CB 3.38Å; F532-K552 PolarHBondContact O-N 2.85Å; F532-T555 PolarHBondContact O-OG1 2.94Å; F532-M556 HydrophobicContact CB-SD 4.04Å; F532-M556 HydrophobicContact CD1-SD 4.35Å; F532-M556 HydrophobicContact CG-SD 4.36Å
533	G	80.5	Confident	89.7	Confident	10 Å²	10	61.3 Å²	61.3	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	-168.2	-163.5	0	0	0	0	0	113.9	G530 T550 K552	G530-G533 PolarHBondContact N-O 3.3Å; G533-T550 CarbonylContact C-O 3.55Å; G533-T550 WeakPolarHBondContact CA-O 3.47Å; G533-K552 WeakPolarHBondContact O-CE 3.47Å; G533-K552 PolarHBondContact O-NZ 3.12Å
534	E	90.1	Very high	89.4	Confident	55 Å²	55	59.9 Å²	59.9	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.3	173.3	-55.8	-178.7	165.7	0	0	109.1	L526 G528 A529 W536 K549 T550 K552	L526-E534 HydrophobicContact CD1-CB 3.83Å; L526-E534 HydrophobicContact CD1-CG 4.38Å; G528-E534 WeakPolarHBondContact O-CA 3.21Å; A529-E534 HydrophobicContact CB-CG 4.28Å; E534-W536 PolarHBondContact OE2-NE1 2.84Å; E534-K549 CarbonylContact O-C 3.6Å; E534-K549 WeakPolarHBondContact O-CA 3.37Å; E534-T550 PolarHBondContact N-O 2.92Å; E534-T550 VanDerWaalsContact N-O 3.1Å; E534-T550 PolarHBondContact O-N 2.97Å; E534-T550 PolarHBondContact O-OG1 3.34Å; E534-K552 HydrophobicContact CG-CG 4.47Å; E534-K552 WeakPolarHBondContact OE1-CE 3.47Å
535	V	93.1	Very high	89.3	Confident	54 Å²	54	59.4 Å²	59.4	33%	0.327	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.1	174.2	-176.3	0	0	0	0	107.3	L527 G528 A547 V548 K549	L527-V535 WeakPolarHBondContact CA-O 3.49Å; L527-V535 HydrophobicContact CB-CG1 4.49Å; L527-V535 WeakPolarHBondContact CB-O 3.35Å; L527-V535 HydrophobicContact CD1-CG1 4.36Å; L527-V535 PolarHBondContact N-O 2.82Å; G528-V535 PolarHBondContact N-O 2.88Å; G528-V535 VanDerWaalsContact N-O 3.17Å; G528-V535 PolarHBondContact O-N 3.46Å; V535-A547 HydrophobicContact CG1-CB 4.39Å; V535-V548 WeakPolarHBondContact CA-O 3.49Å; V535-K549 HydrophobicContact CG2-CG 4.25Å
536	W	96.1	Very high	89.3	Confident	67 Å²	67	54.3 Å²	54.3	25%	0.254	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141	-179.2	-70.8	75.7	0	0	0	110	L523 E525 L526 E534 A547 V548	L523-W536 HydrophobicContact CB-CD2 4.42Å; L523-W536 HydrophobicContact CB-CE3 4.04Å; L523-W536 HydrophobicContact CD1-CD2 4.22Å; L523-W536 HydrophobicContact CD1-CG 4.22Å; L523-W536 HydrophobicContact CD2-CB 4.05Å; E525-W536 CarbonylContact O-C 3.58Å; E525-W536 VanDerWaalsContact O-CA 3.23Å; E525-W536 WeakPolarHBondContact O-CA 3.48Å; L526-W536 HydrophobicContact CB-CD2 4.3Å; L526-W536 HydrophobicContact CB-CE3 4.22Å; L526-W536 HydrophobicContact CB-CH2 4.2Å; L526-W536 HydrophobicContact CB-CZ2 4.26Å; L526-W536 HydrophobicContact CB-CZ3 4.17Å; L526-W536 HydrophobicContact CD1-CD2 4.23Å; L526-W536 HydrophobicContact CD1-CG 4.42Å; L526-W536 HydrophobicContact CD1-CZ2 4.19Å; E534-W536 PolarHBondContact OE2-NE1 2.84Å; W536-A547 CarbonylContact O-C 3.58Å; W536-A547 WeakPolarHBondContact O-CA 3.34Å; W536-V548 HydrophobicContact CB-CB 4.49Å; W536-V548 PolarHBondContact N-O 2.68Å; W536-V548 PolarHBondContact O-N 3.5Å
537	K	96.9	Very high	89.4	Confident	41 Å²	41	51 Å²	51	18%	0.178	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.8	156.9	-177.6	172	176.6	170.7	0	107.1	I524 E525 L527 E545 L594	I524-K537 PolarHBondContact N-O 3.03Å; E525-K537 HydrophobicContact CB-CB 4.04Å; E525-K537 PolarHBondContact N-O 3.05Å; E525-K537 PolarHBondContact O-N 2.99Å; L527-K537 HydrophobicContact CD1-CB 3.94Å; L527-K537 HydrophobicContact CD2-CB 4.14Å; L527-K537 HydrophobicContact CG-CB 3.98Å; K537-E545 WeakPolarHBondContact CE-OE1 3.43Å; K537-E545 WeakPolarHBondContact CE-OE2 3.32Å; K537-E545 IonicContact NZ-OE1 2.7Å; K537-E545 PolarHBondContact NZ-OE1 3.04Å; K537-E545 IonicContact NZ-OE2 3.72Å; K537-E545 PolarHBondContact NZ-OE2 3.36Å; K537-L594 HydrophobicContact CD-CD2 3.86Å; K537-L594 HydrophobicContact CG-CD1 4.4Å; K537-L594 HydrophobicContact CG-CD2 3.88Å
538	G	96.6	Very high	89.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	176.3	172.3	0	0	0	0	0	112.3	K522 V546	K522-G538 CarbonylContact O-C 3.49Å; K522-G538 WeakPolarHBondContact O-CA 3.14Å; G538-V546 PolarHBondContact N-O 3.09Å; G538-V546 PolarHBondContact O-N 3.29Å
539	K	96.2	Very high	89.8	Confident	62 Å²	62	47.5 Å²	47.5	27%	0.27	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.5	169.5	-145	171.2	-171.1	-156.5	0	109.3	K522 I524 E542 T543 I544	K522-K539 PolarHBondContact N-O 3.17Å; K522-K539 PolarHBondContact O-N 3.27Å; I524-K539 HydrophobicContact CD1-CB 3.92Å; K539-E542 WeakPolarHBondContact CD-O 3.28Å; K539-E542 WeakPolarHBondContact CE-O 3.4Å; K539-E542 PolarHBondContact NZ-O 2.84Å; K539-T543 VanDerWaalsContact CE-C 3.49Å; K539-T543 WeakPolarHBondContact CE-O 3.3Å; K539-I544 CarbonylContact C-O 3.41Å; K539-I544 VanDerWaalsContact CA-O 3.28Å; K539-I544 WeakPolarHBondContact CA-O 3.06Å; K539-I544 WeakPolarHBondContact CG-O 3.38Å
540	W	94.8	Very high	90	Very high	9 Å²	9	45 Å²	45	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.9	173.1	179.7	75	0	0	0	109.6	H347 T348 L506 S520 L521 E542 T543 I544 V546	H347-W540 HydrophobicContact CB-CZ3 3.81Å; T348-W540 HydrophobicContact CG2-CH2 3.57Å; T348-W540 HydrophobicContact CG2-CZ2 4.27Å; T348-W540 HydrophobicContact CG2-CZ3 4.37Å; L506-W540 HydrophobicContact CB-CD2 4.15Å; L506-W540 HydrophobicContact CB-CE3 3.92Å; L506-W540 HydrophobicContact CB-CH2 3.74Å; L506-W540 HydrophobicContact CB-CZ2 4.01Å; L506-W540 HydrophobicContact CB-CZ3 3.7Å; L506-W540 HydrophobicContact CD1-CD2 3.94Å; L506-W540 HydrophobicContact CD1-CE3 4.49Å; L506-W540 HydrophobicContact CD1-CG 4.04Å; L506-W540 HydrophobicContact CD1-CZ2 4.47Å; L506-W540 HydrophobicContact CD2-CD2 4.42Å; L506-W540 HydrophobicContact CD2-CE3 4.3Å; L506-W540 HydrophobicContact CG-CD2 4.39Å; L506-W540 HydrophobicContact CG-CE3 4.46Å; L506-W540 WeakPolarHBondContact O-CZ3 3.46Å; S520-W540 CarbonylContact O-C 3.08Å; S520-W540 VanDerWaalsContact O-CA 3.29Å; S520-W540 WeakPolarHBondContact O-CA 3.44Å; S520-W540 PolarHBondContact OG-NE1 2.96Å; L521-W540 HydrophobicContact CD2-CB 4.01Å; L521-W540 HydrophobicContact CD2-CG 4.35Å; W540-E542 PolarHBondContact O-N 2.65Å; W540-T543 PolarHBondContact O-N 2.85Å; W540-T543 PolarHBondContact O-OG1 3.35Å; W540-I544 HydrophobicContact CE3-CB 4.38Å; W540-I544 HydrophobicContact CE3-CD1 3.57Å; W540-I544 HydrophobicContact CE3-CG1 3.96Å; W540-I544 HydrophobicContact CZ3-CD1 3.72Å; W540-I544 HydrophobicContact CZ3-CG1 4.41Å; W540-I544 PolarHBondContact N-O 2.81Å; W540-I544 PolarHBondContact O-N 2.82Å; W540-I544 VanDerWaalsContact O-N 3.11Å; W540-V546 HydrophobicContact CB-CG1 4.39Å
541	N	93	Very high	90.3	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.332	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	25.8	-174.8	-72.3	-3.6	0	0	0	115.1	H347 S520 T543	H347-N541 PolarHBondContact O-ND2 3.05Å; S520-N541 WeakPolarHBondContact CB-OD1 3.23Å; S520-N541 PolarHBondContact O-N 3.35Å; N541-T543 PolarHBondContact O-N 2.77Å; N541-T543 VanDerWaalsContact O-N 3.12Å
542	E	92.3	Very high	90.4	Very high	93 Å²	93	40.6 Å²	40.6	44%	0.435	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	14	-167.6	-59	-63.1	88.2	0	0	115.4	K522 K539 W540	K522-E542 WeakPolarHBondContact CB-OE1 3.49Å; K522-E542 VanDerWaalsContact CD-CD 3.48Å; K522-E542 WeakPolarHBondContact CD-OE1 3.37Å; K522-E542 VanDerWaalsContact CD-OE2 3.22Å; K522-E542 WeakPolarHBondContact CD-OE2 3.49Å; K522-E542 IonicContact NZ-OE1 2.67Å; K522-E542 IonicContact NZ-OE2 2.92Å; K522-E542 PolarHBondContact NZ-OE2 3.14Å; K539-E542 WeakPolarHBondContact CD-O 3.28Å; K539-E542 WeakPolarHBondContact CE-O 3.4Å; K539-E542 PolarHBondContact NZ-O 2.84Å; W540-E542 PolarHBondContact O-N 2.65Å
543	T	89.2	Confident	90.6	Very high	43 Å²	43	45 Å²	45	26%	0.264	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-60.5	-178.2	51.8	0	0	0	0	113.3	K539 W540 N541	K539-T543 VanDerWaalsContact CE-C 3.49Å; K539-T543 WeakPolarHBondContact CE-O 3.3Å; W540-T543 PolarHBondContact O-N 2.85Å; W540-T543 PolarHBondContact O-OG1 3.35Å; N541-T543 PolarHBondContact O-N 2.77Å; N541-T543 VanDerWaalsContact O-N 3.12Å
544	I	91.4	Very high	90.1	Very high	30 Å²	30	48.5 Å²	48.5	15%	0.154	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.1	-173.1	-51.9	-179.7	0	0	0	111.1	H347 L506 K539 W540 V546	H347-I544 HydrophobicContact CB-CD1 4.3Å; H347-I544 HydrophobicContact CB-CG1 4.36Å; H347-I544 WeakPolarHBondContact CD2-CD1 3.33Å; H347-I544 VanDerWaalsContact CD2-CG1 3.45Å; H347-I544 WeakPolarHBondContact CD2-CG1 3.38Å; L506-I544 HydrophobicContact CB-CD1 4.25Å; L506-I544 HydrophobicContact CD2-CD1 3.78Å; L506-I544 HydrophobicContact CD2-CG2 4.21Å; K539-I544 CarbonylContact C-O 3.41Å; K539-I544 VanDerWaalsContact CA-O 3.28Å; K539-I544 WeakPolarHBondContact CA-O 3.06Å; K539-I544 WeakPolarHBondContact CG-O 3.38Å; W540-I544 HydrophobicContact CE3-CB 4.38Å; W540-I544 HydrophobicContact CE3-CD1 3.57Å; W540-I544 HydrophobicContact CE3-CG1 3.96Å; W540-I544 HydrophobicContact CZ3-CD1 3.72Å; W540-I544 HydrophobicContact CZ3-CG1 4.41Å; W540-I544 PolarHBondContact N-O 2.81Å; W540-I544 PolarHBondContact O-N 2.82Å; W540-I544 VanDerWaalsContact O-N 3.11Å; I544-V546 HydrophobicContact CG2-CG1 4.06Å
545	E	94.5	Very high	89.1	Confident	78 Å²	78	48.2 Å²	48.2	36%	0.364	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.9	168.9	-59.8	-155.5	139.8	0	0	111.5	K537 L594	K537-E545 WeakPolarHBondContact CE-OE1 3.43Å; K537-E545 WeakPolarHBondContact CE-OE2 3.32Å; K537-E545 IonicContact NZ-OE1 2.7Å; K537-E545 PolarHBondContact NZ-OE1 3.04Å; K537-E545 IonicContact NZ-OE2 3.72Å; K537-E545 PolarHBondContact NZ-OE2 3.36Å; E545-L594 HydrophobicContact CB-CD2 3.82Å
546	V	95.6	Very high	88.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.6	-175.3	-65	0	0	0	0	111.7	L506 L521 G538 W540 I544 V548 Y580 I591	L506-V546 HydrophobicContact CD2-CG1 4.11Å; L521-V546 HydrophobicContact CD2-CG2 4.26Å; G538-V546 PolarHBondContact N-O 3.09Å; G538-V546 PolarHBondContact O-N 3.29Å; W540-V546 HydrophobicContact CB-CG1 4.39Å; I544-V546 HydrophobicContact CG2-CG1 4.06Å; V546-V548 HydrophobicContact CG2-CG2 3.93Å; V546-Y580 HydrophobicContact CG1-CD2 4.02Å; V546-Y580 HydrophobicContact CG1-CE2 4.31Å; V546-I591 HydrophobicContact CB-CG2 3.72Å; V546-I591 HydrophobicContact CG1-CG2 3.9Å; V546-I591 HydrophobicContact CG2-CG2 3.92Å
547	A	96.3	Very high	87.2	Confident	8 Å²	8	47.7 Å²	47.7	7%	0.066	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.7	163.8	0	0	0	0	0	109.6	V535 W536 I591 T592 L594	V535-A547 HydrophobicContact CG1-CB 4.39Å; W536-A547 CarbonylContact O-C 3.58Å; W536-A547 WeakPolarHBondContact O-CA 3.34Å; A547-I591 WeakPolarHBondContact O-CA 3.5Å; A547-T592 PolarHBondContact N-O 2.92Å; A547-T592 PolarHBondContact O-N 3Å; A547-L594 HydrophobicContact CB-CD1 4.13Å
548	V	95.3	Very high	86.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	105	-175.3	-171.3	0	0	0	0	108.9	L523 V535 W536 V546 T550 Y589 I590 I591	L523-V548 HydrophobicContact CD2-CB 3.91Å; L523-V548 HydrophobicContact CD2-CG1 3.98Å; L523-V548 HydrophobicContact CD2-CG2 3.94Å; V535-V548 WeakPolarHBondContact CA-O 3.49Å; W536-V548 HydrophobicContact CB-CB 4.49Å; W536-V548 PolarHBondContact N-O 2.68Å; W536-V548 PolarHBondContact O-N 3.5Å; V546-V548 HydrophobicContact CG2-CG2 3.93Å; V548-T550 HydrophobicContact CG1-CG2 4.26Å; V548-Y589 HydrophobicContact CG1-CD1 4.31Å; V548-Y589 HydrophobicContact CG1-CD2 3.86Å; V548-Y589 HydrophobicContact CG1-CG 3.73Å; V548-I590 CarbonylContact C-O 3.52Å; V548-I590 WeakPolarHBondContact CA-O 3.47Å; V548-I591 HydrophobicContact CG1-CG1 4.41Å; V548-I591 HydrophobicContact CG2-CG1 4.39Å
549	K	92.5	Very high	85.8	Confident	42 Å²	42	54.3 Å²	54.3	18%	0.183	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.7	172.5	-163.3	-178.7	-160.5	-177.7	0	108.1	E534 V535 F561 E564 Y589 I590 D658	E534-K549 CarbonylContact O-C 3.6Å; E534-K549 WeakPolarHBondContact O-CA 3.37Å; V535-K549 HydrophobicContact CG2-CG 4.25Å; K549-F561 HydrophobicContact CD-CE2 4.19Å; K549-F561 HydrophobicContact CG-CE2 4.18Å; K549-F561 HydrophobicContact CG-CZ 4.32Å; K549-E564 IonicContact NZ-OE1 2.66Å; K549-E564 PolarHBondContact NZ-OE1 3.29Å; K549-E564 IonicContact NZ-OE2 3.19Å; K549-E564 PolarHBondContact NZ-OE2 3.13Å; K549-Y589 WeakPolarHBondContact O-CA 3.47Å; K549-I590 HydrophobicContact CB-CB 4.29Å; K549-I590 PolarHBondContact N-O 2.91Å; K549-I590 PolarHBondContact O-N 3Å; K549-D658 IonicContact NZ-OD1 3.22Å; K549-D658 PolarHBondContact NZ-OD1 2.92Å
550	T	89.8	Confident	84.9	Confident	14 Å²	14	55.9 Å²	55.9	9%	0.086	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.5	-179.6	75.3	0	0	0	0	110.1	G533 E534 V548 Y589	G533-T550 CarbonylContact C-O 3.55Å; G533-T550 WeakPolarHBondContact CA-O 3.47Å; E534-T550 PolarHBondContact N-O 2.92Å; E534-T550 VanDerWaalsContact N-O 3.1Å; E534-T550 PolarHBondContact O-N 2.97Å; E534-T550 PolarHBondContact O-OG1 3.34Å; V548-T550 HydrophobicContact CG1-CG2 4.26Å; T550-Y589 HydrophobicContact CG2-CD1 3.6Å; T550-Y589 HydrophobicContact CG2-CE1 3.6Å; T550-Y589 HydrophobicContact CG2-CG 4.5Å
551	L	80.9	Confident	84.2	Confident	28 Å²	28	55.6 Å²	55.6	15%	0.147	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.5	177.3	-177	63.8	0	0	0	111.7	T555 M556 F561 I588	L551-T555 WeakPolarHBondContact CD1-OG1 3.21Å; L551-M556 HydrophobicContact CD1-CG 3.61Å; L551-M556 HydrophobicContact CD1-SD 3.72Å; L551-F561 HydrophobicContact CB-CD1 3.97Å; L551-F561 HydrophobicContact CB-CD2 4.27Å; L551-F561 HydrophobicContact CB-CE1 3.93Å; L551-F561 HydrophobicContact CB-CE2 4.25Å; L551-F561 HydrophobicContact CB-CG 4.14Å; L551-F561 HydrophobicContact CB-CZ 4.08Å; L551-F561 HydrophobicContact CD1-CB 4.4Å; L551-F561 HydrophobicContact CD1-CD2 3.99Å; L551-F561 HydrophobicContact CD1-CE2 4.48Å; L551-F561 HydrophobicContact CD1-CG 4.18Å; L551-F561 HydrophobicContact CD2-CB 4.04Å; L551-F561 HydrophobicContact CD2-CD1 4.33Å; L551-F561 HydrophobicContact CD2-CG 4.16Å; L551-F561 HydrophobicContact CG-CG 4.39Å; L551-I588 PolarHBondContact N-O 2.86Å
552	K	73.3	Confident	83.8	Confident	67 Å²	67	53.6 Å²	53.6	29%	0.291	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-74.7	133.1	168.5	-74.6	170.7	-176.4	174.4	0	109.4	G530 F532 G533 E534 G554 T555	G530-K552 PolarHBondContact O-NZ 3.34Å; F532-K552 WeakPolarHBondContact O-CB 3.38Å; F532-K552 PolarHBondContact O-N 2.85Å; G533-K552 WeakPolarHBondContact O-CE 3.47Å; G533-K552 PolarHBondContact O-NZ 3.12Å; E534-K552 HydrophobicContact CG-CG 4.47Å; E534-K552 WeakPolarHBondContact OE1-CE 3.47Å; K552-G554 PolarHBondContact O-N 3.08Å; K552-T555 HydrophobicContact CB-CG2 3.6Å; K552-T555 PolarHBondContact O-N 3.42Å; K552-T555 PolarHBondContact O-OG1 3.17Å
553	Q	73.8	Confident	83.4	Confident	180 Å²	180	52.3 Å²	52.3	84%	0.841	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	127.4	-178	-70.7	-178.4	-23.4	0	0	111.4
554	G	70.3	Confident	83.1	Confident	84 Å²	84	50.7 Å²	50.7	87%	0.866	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	7.2	176.2	0	0	0	0	0	116.8	K552	K552-G554 PolarHBondContact O-N 3.08Å
555	T	68.3	Low	82.9	Confident	50 Å²	50	49.5 Å²	49.5	31%	0.307	26%	0.263	S	S	.	.	S	Bend	trans	-90	-31.5	-178.5	61.3	0	0	0	0	114.8	Q531 F532 L551 K552	Q531-T555 WeakPolarHBondContact O-CG2 3.18Å; F532-T555 PolarHBondContact O-OG1 2.94Å; L551-T555 WeakPolarHBondContact CD1-OG1 3.21Å; K552-T555 HydrophobicContact CB-CG2 3.6Å; K552-T555 PolarHBondContact O-N 3.42Å; K552-T555 PolarHBondContact O-OG1 3.17Å
556	M	72.7	Confident	82.6	Confident	46 Å²	46	53.1 Å²	53.1	23%	0.227	27%	0.273	C	S	.	.	S	Bend	trans	-155.3	172	171.2	77.9	-150.5	-72.1	0	0	109.5	F532 L551 E560 F561	F532-M556 HydrophobicContact CB-SD 4.04Å; F532-M556 HydrophobicContact CD1-SD 4.35Å; F532-M556 HydrophobicContact CG-SD 4.36Å; L551-M556 HydrophobicContact CD1-CG 3.61Å; L551-M556 HydrophobicContact CD1-SD 3.72Å; M556-E560 HydrophobicContact CB-CB 4.5Å; M556-E560 HydrophobicContact CE-CB 3.88Å; M556-E560 HydrophobicContact CG-CB 4.39Å; M556-F561 HydrophobicContact CG-CB 4.21Å; M556-F561 HydrophobicContact SD-CB 4.13Å; M556-F561 HydrophobicContact SD-CD2 3.96Å
557	T	77.5	Confident	82.1	Confident	63 Å²	63	53.3 Å²	53.3	39%	0.387	27%	0.274	S	S	.	.			trans	-75.1	157.8	176.5	61.1	0	0	0	0	112.9	E559 E560 F561	T557-E559 PolarHBondContact O-N 3.32Å; T557-E560 WeakPolarHBondContact CB-OE2 3.37Å; T557-E560 WeakPolarHBondContact CG2-OE2 3.2Å; T557-E560 PolarHBondContact N-OE2 2.9Å; T557-E560 PolarHBondContact O-N 2.71Å; T557-E560 WeakPolarHBondContact OG1-CB 3.45Å; T557-E560 WeakPolarHBondContact OG1-CG 3.39Å; T557-E560 PolarHBondContact OG1-N 2.91Å; T557-E560 VanDerWaalsContact OG1-N 3.11Å; T557-E560 PolarHBondContact OG1-OE2 3.43Å; T557-F561 PolarHBondContact O-N 3.25Å
558	K	81	Confident	81.7	Confident	67 Å²	67	53.4 Å²	53.4	29%	0.291	27%	0.273	S	S	.	.	H	α-helix	trans	-55.7	-38.2	171.1	166.7	159.5	-157.5	165.1	0	111.4	F561 L562 T584 I588	K558-F561 PolarHBondContact O-N 3.33Å; K558-L562 HydrophobicContact CG-CD1 3.87Å; K558-L562 WeakPolarHBondContact O-CB 3.41Å; K558-L562 WeakPolarHBondContact O-CG 3.41Å; K558-L562 PolarHBondContact O-N 3.35Å; K558-T584 WeakPolarHBondContact CE-O 3.21Å; K558-T584 PolarHBondContact NZ-O 3.13Å; K558-I588 HydrophobicContact CB-CD1 3.84Å; K558-I588 HydrophobicContact CD-CD1 3.69Å; K558-I588 HydrophobicContact CG-CD1 3.47Å; K558-I588 VanDerWaalsContact CG-CD1 3.47Å
559	E	83	Confident	81.2	Confident	114 Å²	114	57.5 Å²	57.5	53%	0.533	29%	0.291	S	S	.	.	H	α-helix	trans	-71.9	-37.3	-177.1	-66.1	60.1	-131.4	0	0	111.7	T557 K563	T557-E559 PolarHBondContact O-N 3.32Å; E559-K563 WeakPolarHBondContact O-CB 3.44Å; E559-K563 PolarHBondContact O-N 2.64Å
560	E	77.5	Confident	80.9	Confident	95 Å²	95	60.2 Å²	60.2	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-71.4	-40.4	172.9	-73.7	163.3	136.8	0	0	111.9	M556 T557 K563	M556-E560 HydrophobicContact CB-CB 4.5Å; M556-E560 HydrophobicContact CE-CB 3.88Å; M556-E560 HydrophobicContact CG-CB 4.39Å; T557-E560 WeakPolarHBondContact CB-OE2 3.37Å; T557-E560 WeakPolarHBondContact CG2-OE2 3.2Å; T557-E560 PolarHBondContact N-OE2 2.9Å; T557-E560 PolarHBondContact O-N 2.71Å; T557-E560 WeakPolarHBondContact OG1-CB 3.45Å; T557-E560 WeakPolarHBondContact OG1-CG 3.39Å; T557-E560 PolarHBondContact OG1-N 2.91Å; T557-E560 VanDerWaalsContact OG1-N 3.11Å; T557-E560 PolarHBondContact OG1-OE2 3.43Å; E560-K563 WeakPolarHBondContact O-CB 3.24Å; E560-K563 PolarHBondContact O-N 2.92Å
561	F	79.6	Confident	80.8	Confident	3 Å²	3	60 Å²	60	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-48	176.9	-171	-115.9	0	0	0	111.2	K549 L551 M556 T557 K558 K563 E564 I588 I590	K549-F561 HydrophobicContact CD-CE2 4.19Å; K549-F561 HydrophobicContact CG-CE2 4.18Å; K549-F561 HydrophobicContact CG-CZ 4.32Å; L551-F561 HydrophobicContact CB-CD1 3.97Å; L551-F561 HydrophobicContact CB-CD2 4.27Å; L551-F561 HydrophobicContact CB-CE1 3.93Å; L551-F561 HydrophobicContact CB-CE2 4.25Å; L551-F561 HydrophobicContact CB-CG 4.14Å; L551-F561 HydrophobicContact CB-CZ 4.08Å; L551-F561 HydrophobicContact CD1-CB 4.4Å; L551-F561 HydrophobicContact CD1-CD2 3.99Å; L551-F561 HydrophobicContact CD1-CE2 4.48Å; L551-F561 HydrophobicContact CD1-CG 4.18Å; L551-F561 HydrophobicContact CD2-CB 4.04Å; L551-F561 HydrophobicContact CD2-CD1 4.33Å; L551-F561 HydrophobicContact CD2-CG 4.16Å; L551-F561 HydrophobicContact CG-CG 4.39Å; M556-F561 HydrophobicContact CG-CB 4.21Å; M556-F561 HydrophobicContact SD-CB 4.13Å; M556-F561 HydrophobicContact SD-CD2 3.96Å; T557-F561 PolarHBondContact O-N 3.25Å; K558-F561 PolarHBondContact O-N 3.33Å; F561-K563 PolarHBondContact O-N 2.81Å; F561-E564 WeakPolarHBondContact O-CB 3.23Å; F561-E564 PolarHBondContact O-N 2.8Å; F561-E564 VanDerWaalsContact O-N 3.16Å; F561-I588 HydrophobicContact CD1-CB 3.96Å; F561-I588 HydrophobicContact CD1-CG2 3.71Å; F561-I588 HydrophobicContact CE1-CB 3.97Å; F561-I588 HydrophobicContact CE1-CG2 3.78Å; F561-I588 WeakPolarHBondContact CE1-O 3.23Å; F561-I590 HydrophobicContact CD1-CD1 4.12Å; F561-I590 HydrophobicContact CD1-CG1 4.34Å; F561-I590 HydrophobicContact CD2-CD1 4.19Å; F561-I590 HydrophobicContact CE1-CD1 3.81Å; F561-I590 HydrophobicContact CE1-CG1 3.72Å; F561-I590 HydrophobicContact CE2-CD1 3.88Å; F561-I590 HydrophobicContact CG-CD1 4.3Å; F561-I590 HydrophobicContact CZ-CD1 3.68Å; F561-I590 HydrophobicContact CZ-CG1 3.82Å; F561-I590 WeakPolarHBondContact O-CD1 3.47Å
562	L	84.7	Confident	81.2	Confident	20 Å²	20	63.5 Å²	63.5	11%	0.105	32%	0.318	C	S	.	.	H	α-helix	trans	-68	-15.8	175	-69	173.9	0	0	0	113.4	K558 E564 R566 I588	K558-L562 HydrophobicContact CG-CD1 3.87Å; K558-L562 WeakPolarHBondContact O-CB 3.41Å; K558-L562 WeakPolarHBondContact O-CG 3.41Å; K558-L562 PolarHBondContact O-N 3.35Å; L562-E564 VanDerWaalsContact C-N 3.3Å; L562-R566 VanDerWaalsContact O-CG 3.27Å; L562-R566 WeakPolarHBondContact O-CG 3.37Å; L562-R566 PolarHBondContact O-N 3.24Å; L562-R566 VanDerWaalsContact O-N 3.08Å; L562-I588 HydrophobicContact CD2-CG2 3.83Å; L562-I588 HydrophobicContact CG-CG2 4.36Å
563	K	84.5	Confident	82	Confident	66 Å²	66	62.2 Å²	62.2	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-64.4	-34.8	171.2	178.1	172.4	175.8	126.7	0	111.8	E559 E560 F561 R566 I567	E559-K563 WeakPolarHBondContact O-CB 3.44Å; E559-K563 PolarHBondContact O-N 2.64Å; E560-K563 WeakPolarHBondContact O-CB 3.24Å; E560-K563 PolarHBondContact O-N 2.92Å; F561-K563 PolarHBondContact O-N 2.81Å; K563-R566 PolarHBondContact O-N 2.86Å; K563-I567 HydrophobicContact CG-CD1 4.2Å; K563-I567 HydrophobicContact CG-CG1 4.49Å; K563-I567 WeakPolarHBondContact O-CG1 3.44Å; K563-I567 PolarHBondContact O-N 2.87Å
564	E	83.6	Confident	82.9	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-51.5	177.1	-173.2	175.4	164.5	0	0	110.9	K549 F561 L562 R566 I567 M568 I590 F659	K549-E564 IonicContact NZ-OE1 2.66Å; K549-E564 PolarHBondContact NZ-OE1 3.29Å; K549-E564 IonicContact NZ-OE2 3.19Å; K549-E564 PolarHBondContact NZ-OE2 3.13Å; F561-E564 WeakPolarHBondContact O-CB 3.23Å; F561-E564 PolarHBondContact O-N 2.8Å; F561-E564 VanDerWaalsContact O-N 3.16Å; L562-E564 VanDerWaalsContact C-N 3.3Å; E564-R566 VanDerWaalsContact C-N 3.3Å; E564-R566 PolarHBondContact O-N 3.09Å; E564-I567 WeakPolarHBondContact O-CB 3.43Å; E564-I567 PolarHBondContact O-N 2.76Å; E564-M568 HydrophobicContact CG-SD 4.16Å; E564-M568 WeakPolarHBondContact O-CG 3.35Å; E564-M568 PolarHBondContact O-N 2.82Å; E564-I590 HydrophobicContact CB-CD1 4.22Å; E564-F659 HydrophobicContact CG-CB 4.27Å
565	A	86.9	Confident	84.1	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-36.1	175.1	0	0	0	0	0	112.9	I567 M568 K569 L579 V582 I590	A565-I567 VanDerWaalsContact C-N 3.31Å; A565-I567 PolarHBondContact O-N 3.26Å; A565-M568 PolarHBondContact O-N 2.88Å; A565-K569 PolarHBondContact O-N 2.92Å; A565-L579 HydrophobicContact CB-CD1 4.21Å; A565-L579 HydrophobicContact CB-CD2 4.15Å; A565-L579 WeakPolarHBondContact O-CD2 3.26Å; A565-V582 HydrophobicContact CB-CG1 3.66Å; A565-I590 HydrophobicContact CB-CD1 4.24Å; A565-I590 HydrophobicContact CB-CG1 4.29Å; A565-I590 HydrophobicContact CB-CG2 4.35Å
566	R	86.9	Confident	85.4	Confident	154 Å²	154	52.2 Å²	52.2	58%	0.581	25%	0.246	S	C	*	.	H	α-helix	trans	-66.7	-29	174.4	-71	170.8	-169.6	173.2	4.6	113.6	L562 K563 E564 K569	L562-R566 VanDerWaalsContact O-CG 3.27Å; L562-R566 WeakPolarHBondContact O-CG 3.37Å; L562-R566 PolarHBondContact O-N 3.24Å; L562-R566 VanDerWaalsContact O-N 3.08Å; K563-R566 PolarHBondContact O-N 2.86Å; E564-R566 VanDerWaalsContact C-N 3.3Å; E564-R566 PolarHBondContact O-N 3.09Å; R566-K569 WeakPolarHBondContact O-CB 3.37Å
567	I	85.5	Confident	86.4	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-74.6	-49.5	172.3	-75.4	175.8	0	0	0	109.6	K563 E564 A565 K569 Q570 L571 Y636 F659 A662	K563-I567 HydrophobicContact CG-CD1 4.2Å; K563-I567 HydrophobicContact CG-CG1 4.49Å; K563-I567 WeakPolarHBondContact O-CG1 3.44Å; K563-I567 PolarHBondContact O-N 2.87Å; E564-I567 WeakPolarHBondContact O-CB 3.43Å; E564-I567 PolarHBondContact O-N 2.76Å; A565-I567 VanDerWaalsContact C-N 3.31Å; A565-I567 PolarHBondContact O-N 3.26Å; I567-K569 PolarHBondContact O-N 3.13Å; I567-K569 VanDerWaalsContact O-N 3.14Å; I567-Q570 PolarHBondContact O-N 3.41Å; I567-L571 HydrophobicContact CG2-CD1 3.62Å; I567-Y636 HydrophobicContact CB-CE1 4.36Å; I567-Y636 HydrophobicContact CG1-CE1 4.19Å; I567-Y636 HydrophobicContact CG2-CD1 4.08Å; I567-Y636 HydrophobicContact CG2-CE1 3.69Å; I567-F659 HydrophobicContact CG2-CB 3.97Å; I567-F659 HydrophobicContact CG2-CD1 4.43Å; I567-F659 HydrophobicContact CG2-CG 4.34Å; I567-A662 HydrophobicContact CD1-CB 3.98Å; I567-A662 WeakPolarHBondContact CD1-O 3.37Å; I567-A662 HydrophobicContact CG2-CB 4.44Å
568	M	88.1	Confident	87	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-25.7	178.9	-61.1	174.5	78.8	0	0	112.6	E564 A565 Q570 L571 V577 L579 T592 F659	E564-M568 HydrophobicContact CG-SD 4.16Å; E564-M568 WeakPolarHBondContact O-CG 3.35Å; E564-M568 PolarHBondContact O-N 2.82Å; A565-M568 PolarHBondContact O-N 2.88Å; M568-Q570 PolarHBondContact O-N 2.86Å; M568-L571 PolarHBondContact O-N 2.87Å; M568-V577 HydrophobicContact CE-CG1 4.24Å; M568-V577 WeakPolarHBondContact CE-O 3.43Å; M568-L579 HydrophobicContact CB-CB 3.66Å; M568-L579 HydrophobicContact CB-CD2 4.21Å; M568-L579 HydrophobicContact CB-CG 4.44Å; M568-L579 HydrophobicContact CE-CB 4.2Å; M568-T592 HydrophobicContact CE-CG2 3.81Å; M568-F659 HydrophobicContact CE-CD2 4.16Å; M568-F659 HydrophobicContact CE-CE2 4.19Å; M568-F659 HydrophobicContact CG-CB 4.41Å; M568-F659 HydrophobicContact CG-CD2 3.5Å; M568-F659 HydrophobicContact CG-CE2 4.09Å; M568-F659 HydrophobicContact CG-CG 4.2Å; M568-F659 HydrophobicContact SD-CD2 3.97Å
569	K	84.9	Confident	87.5	Confident	86 Å²	86	47.6 Å²	47.6	37%	0.374	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-39.7	168.7	-175.8	159.5	-161.6	73.2	0	114.2	W514 A565 R566 I567 H572	W514-K569 HydrophobicContact CE3-CD 4.31Å; W514-K569 VanDerWaalsContact CE3-NZ 3.35Å; W514-K569 VanDerWaalsContact CH2-CA 3.46Å; W514-K569 HydrophobicContact CH2-CB 3.19Å; W514-K569 HydrophobicContact CH2-CD 3.41Å; W514-K569 VanDerWaalsContact CH2-CD 3.41Å; W514-K569 HydrophobicContact CH2-CG 3.13Å; W514-K569 HydrophobicContact CZ2-CB 4.08Å; W514-K569 HydrophobicContact CZ2-CD 4.05Å; W514-K569 HydrophobicContact CZ2-CG 3.67Å; W514-K569 HydrophobicContact CZ3-CB 3.82Å; W514-K569 HydrophobicContact CZ3-CD 3.45Å; W514-K569 VanDerWaalsContact CZ3-CD 3.45Å; W514-K569 HydrophobicContact CZ3-CG 3.75Å; W514-K569 VanDerWaalsContact CZ3-NZ 3.28Å; A565-K569 PolarHBondContact O-N 2.92Å; R566-K569 WeakPolarHBondContact O-CB 3.37Å; I567-K569 PolarHBondContact O-N 3.13Å; I567-K569 VanDerWaalsContact O-N 3.14Å; K569-H572 PolarHBondContact O-CE1 2.97Å
570	Q	85.8	Confident	87.9	Confident	99 Å²	99	43 Å²	43	46%	0.463	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-4.6	-163.8	-70.5	168.9	-25.6	0	0	111.2	I567 M568 Y636	I567-Q570 PolarHBondContact O-N 3.41Å; M568-Q570 PolarHBondContact O-N 2.86Å; Q570-Y636 WeakPolarHBondContact CB-OH 3.5Å; Q570-Y636 PolarHBondContact OE1-OH 3.3Å
571	L	88.5	Confident	88.7	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.052	18%	0.175	C	C	.	.			trans	-116.7	98.4	-167.9	-65.8	177.1	0	0	0	111.5	I567 M568 L576 Y630 L631 E634 Y636 F659	I567-L571 HydrophobicContact CG2-CD1 3.62Å; M568-L571 PolarHBondContact O-N 2.87Å; L571-L576 HydrophobicContact CB-CD1 3.86Å; L571-L576 HydrophobicContact CD1-CD1 4.42Å; L571-Y630 HydrophobicContact CB-CE1 4.18Å; L571-Y630 HydrophobicContact CD2-CE1 3.79Å; L571-L631 HydrophobicContact CD1-CD2 3.74Å; L571-L631 HydrophobicContact CD2-CD2 3.72Å; L571-L631 HydrophobicContact CG-CD2 4.32Å; L571-E634 HydrophobicContact CD2-CB 4.37Å; L571-Y636 HydrophobicContact CD1-CD1 4.2Å; L571-Y636 HydrophobicContact CD1-CE1 4.2Å; L571-Y636 HydrophobicContact CD1-CG 4.48Å; L571-Y636 HydrophobicContact CD2-CD2 3.7Å; L571-Y636 HydrophobicContact CD2-CE1 4.45Å; L571-Y636 HydrophobicContact CD2-CE2 3.63Å; L571-Y636 HydrophobicContact CD2-CG 4.15Å; L571-Y636 HydrophobicContact CG-CE1 4.44Å; L571-Y636 HydrophobicContact CG-CE2 4.35Å; L571-F659 HydrophobicContact CD1-CD1 4.17Å; L571-F659 HydrophobicContact CD1-CE1 4.06Å
572	H	88.3	Confident	89.3	Confident	102 Å²	102	39 Å²	39	47%	0.472	18%	0.179	S	C	.	.			trans	-116.5	94.9	-177.1	-66.3	94.4	0	0	0	111.1	K569 Y630	K569-H572 PolarHBondContact O-CE1 2.97Å; H572-Y630 PolarHBondContact N-OH 3.2Å
573	H	91.4	Very high	89.7	Confident	40 Å²	40	38.1 Å²	38.1	19%	0.185	17%	0.174	C	C	.	.			trans	-151.9	138.6	-178.8	-176.5	-103	0	0	0	111.6	R575 L576 S626 Y630	H573-R575 PolarHBondContact ND1-N 3.12Å; H573-R575 PolarHBondContact O-N 2.64Å; H573-L576 HydrophobicContact CB-CD1 4.25Å; H573-L576 HydrophobicContact CB-CG 4.11Å; H573-L576 PolarHBondContact O-N 3Å; H573-S626 PolarHBondContact CE1-O 2.89Å; H573-S626 VanDerWaalsContact CE1-O 3.32Å; H573-S626 PolarHBondContact CE1-OG 2.9Å; H573-Y630 HydrophobicContact CB-CD1 3.4Å; H573-Y630 HydrophobicContact CB-CD2 4.17Å; H573-Y630 HydrophobicContact CB-CE1 3.69Å; H573-Y630 HydrophobicContact CB-CE2 4.45Å; H573-Y630 HydrophobicContact CB-CG 3.64Å; H573-Y630 AromaticContact CD2-CG 3.85Å; H573-Y630 AromaticContact CG-CD1 3.91Å; H573-Y630 AromaticContact CG-CG 3.7Å
574	P	91.3	Very high	89.8	Confident	72 Å²	72	36.6 Å²	36.6	47%	0.468	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14	-174.6	23.5	-36.1	0	0	0	115.4	K655	P574-K655 WeakPolarHBondContact O-CE 3.48Å
575	R	95.4	Very high	89.9	Confident	26 Å²	26	38.6 Å²	38.6	10%	0.098	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	14.2	176.8	-50.4	-59.8	174.3	-167.8	-4.8	114	D407 H573 Q623 S653 K655 V656	D407-R575 IonicContact OD1-CZ 3.68Å; D407-R575 IonicContact OD1-NH2 3.31Å; D407-R575 PolarHBondContact OD1-NH2 2.83Å; H573-R575 PolarHBondContact ND1-N 3.12Å; H573-R575 PolarHBondContact O-N 2.64Å; R575-Q623 VanDerWaalsContact CB-O 3.29Å; R575-Q623 WeakPolarHBondContact CB-O 3.39Å; R575-Q623 WeakPolarHBondContact CG-O 3.44Å; R575-S653 PolarHBondContact NH1-OG 2.82Å; R575-S653 VanDerWaalsContact NH1-OG 3.09Å; R575-K655 CarbonylContact O-C 3.59Å; R575-K655 VanDerWaalsContact O-CA 3.3Å; R575-K655 WeakPolarHBondContact O-CA 3.47Å; R575-V656 PolarHBondContact O-N 3.32Å
576	L	95.3	Very high	89.8	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-115.9	147.6	168.8	-59.1	-173.3	0	0	0	110	L571 H573 R578 Y630 L631 V656 F659	L571-L576 HydrophobicContact CB-CD1 3.86Å; L571-L576 HydrophobicContact CD1-CD1 4.42Å; H573-L576 HydrophobicContact CB-CD1 4.25Å; H573-L576 HydrophobicContact CB-CG 4.11Å; H573-L576 PolarHBondContact O-N 3Å; L576-R578 PolarHBondContact O-N 3.42Å; L576-Y630 HydrophobicContact CD1-CD1 3.61Å; L576-Y630 HydrophobicContact CD1-CE1 3.78Å; L576-Y630 HydrophobicContact CG-CD1 4.39Å; L576-L631 HydrophobicContact CD1-CD2 3.73Å; L576-L631 HydrophobicContact CD1-CG 4.41Å; L576-L631 HydrophobicContact CD2-CD1 4.36Å; L576-L631 HydrophobicContact CD2-CD2 4.38Å; L576-L631 HydrophobicContact CD2-CG 4.27Å; L576-V656 HydrophobicContact CD2-CB 3.73Å; L576-V656 HydrophobicContact CD2-CG2 4.07Å; L576-F659 HydrophobicContact CB-CZ 4.16Å; L576-F659 HydrophobicContact CD1-CZ 4.25Å; L576-F659 HydrophobicContact CD2-CE1 4.36Å; L576-F659 HydrophobicContact CD2-CZ 4.07Å; L576-F659 HydrophobicContact CG-CZ 4.39Å
577	V	94.5	Very high	89.8	Confident	8 Å²	8	39.9 Å²	39.9	5%	0.048	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-69.6	121.6	175	171.4	0	0	0	0	110.3	M568 T592 E593 M595 L647 K655 V656 A657	M568-V577 HydrophobicContact CE-CG1 4.24Å; M568-V577 WeakPolarHBondContact CE-O 3.43Å; V577-T592 HydrophobicContact CG1-CG2 4.37Å; V577-E593 WeakPolarHBondContact CA-OE1 3.39Å; V577-E593 HydrophobicContact CG1-CG 4.02Å; V577-M595 HydrophobicContact CG2-CG 4.33Å; V577-L647 HydrophobicContact CG2-CB 4.42Å; V577-L647 HydrophobicContact CG2-CD1 4.07Å; V577-L647 HydrophobicContact CG2-CG 4.42Å; V577-K655 HydrophobicContact CG2-CB 3.75Å; V577-K655 HydrophobicContact CG2-CD 4.47Å; V577-V656 PolarHBondContact N-O 2.94Å; V577-A657 HydrophobicContact CB-CB 4.15Å; V577-A657 HydrophobicContact CG2-CB 3.66Å
578	R	91	Very high	89.9	Confident	58 Å²	58	40 Å²	40	22%	0.219	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-73.7	129.6	-178.4	-179	175.9	-76.2	171.7	-2.6	111.8	V502 P503 T504 L576 Y580 T592 E593	V502-R578 PolarHBondContact O-NH1 3.03Å; P503-R578 VanDerWaalsContact C-NH1 3.31Å; P503-R578 PolarHBondContact O-NH1 3.01Å; T504-R578 WeakPolarHBondContact O-CD 3.47Å; L576-R578 PolarHBondContact O-N 3.42Å; R578-Y580 VanDerWaalsContact CD-CE1 3.5Å; R578-Y580 HydrophobicContact CG-CD1 4.05Å; R578-Y580 HydrophobicContact CG-CE1 3.98Å; R578-T592 VanDerWaalsContact O-CA 3.29Å; R578-T592 WeakPolarHBondContact O-CA 3.21Å; R578-T592 VanDerWaalsContact O-CB 3.26Å; R578-T592 WeakPolarHBondContact O-CB 3.4Å; R578-E593 HydrophobicContact CB-CG 4.3Å; R578-E593 WeakPolarHBondContact CB-OE1 3.3Å; R578-E593 PolarHBondContact N-OE1 3.42Å; R578-E593 PolarHBondContact O-N 2.67Å
579	L	91.6	Very high	90.2	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.073	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	138.7	162.2	176.8	75.2	0	0	0	109	W514 A565 M568 V582 I590	W514-L579 HydrophobicContact CH2-CD2 3.64Å; W514-L579 HydrophobicContact CZ2-CD2 4.27Å; W514-L579 HydrophobicContact CZ3-CD2 4.1Å; A565-L579 HydrophobicContact CB-CD1 4.21Å; A565-L579 HydrophobicContact CB-CD2 4.15Å; A565-L579 WeakPolarHBondContact O-CD2 3.26Å; M568-L579 HydrophobicContact CB-CB 3.66Å; M568-L579 HydrophobicContact CB-CD2 4.21Å; M568-L579 HydrophobicContact CB-CG 4.44Å; M568-L579 HydrophobicContact CE-CB 4.2Å; L579-V582 HydrophobicContact CD1-CG1 4.5Å; L579-I590 HydrophobicContact CD1-CG2 3.5Å
580	Y	91.1	Very high	90.5	Very high	17 Å²	17	36.8 Å²	36.8	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-45.2	174.7	-78.1	-30.2	0	0	0	112.5	V502 L506 V546 R578 I591 E593	V502-Y580 WeakPolarHBondContact CG1-OH 3.38Å; L506-Y580 HydrophobicContact CD2-CD1 4.41Å; L506-Y580 HydrophobicContact CD2-CD2 3.65Å; L506-Y580 HydrophobicContact CD2-CE2 4.16Å; L506-Y580 HydrophobicContact CD2-CG 3.79Å; L506-Y580 HydrophobicContact CG-CD2 4.43Å; L506-Y580 HydrophobicContact CG-CG 4.09Å; V546-Y580 HydrophobicContact CG1-CD2 4.02Å; V546-Y580 HydrophobicContact CG1-CE2 4.31Å; R578-Y580 VanDerWaalsContact CD-CE1 3.5Å; R578-Y580 HydrophobicContact CG-CD1 4.05Å; R578-Y580 HydrophobicContact CG-CE1 3.98Å; Y580-I591 PolarHBondContact N-O 2.78Å; Y580-E593 HydrophobicContact CE2-CB 3.92Å
581	A	92.9	Very high	90.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	173.7	-174.7	0	0	0	0	0	112.7	L506 W514 I516 I591	L506-A581 HydrophobicContact CD1-CB 3.88Å; W514-A581 WeakPolarHBondContact O-CB 3.39Å; I516-A581 HydrophobicContact CD1-CB 3.59Å; I516-A581 HydrophobicContact CG1-CB 3.85Å; I516-A581 HydrophobicContact CG2-CB 3.99Å; A581-I591 HydrophobicContact CB-CB 4.14Å; A581-I591 HydrophobicContact CB-CD1 4.28Å; A581-I591 PolarHBondContact N-O 2.94Å; A581-I591 WeakPolarHBondContact O-CD1 3.42Å; A581-I591 PolarHBondContact O-N 2.81Å
582	V	92.7	Very high	91.2	Very high	13 Å²	13	32.5 Å²	32.5	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.3	170	-67.3	0	0	0	0	111.1	W514 E515 I516 A565 L579 T584 Y589 I590	W514-V582 PolarHBondContact O-N 2.97Å; E515-V582 WeakPolarHBondContact CA-O 3.46Å; I516-V582 PolarHBondContact N-O 3.16Å; A565-V582 HydrophobicContact CB-CG1 3.66Å; L579-V582 HydrophobicContact CD1-CG1 4.5Å; V582-T584 HydrophobicContact CG2-CG2 3.89Å; V582-Y589 CarbonylContact C-O 3.55Å; V582-Y589 WeakPolarHBondContact CA-O 3.29Å; V582-I590 HydrophobicContact CG1-CG1 4.47Å
583	V	92.8	Very high	91.4	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.2	161.6	179.4	0	0	0	0	106.5	I516 R518 L521 A585 I588 Y589 I591	I516-V583 HydrophobicContact CG1-CG2 4.11Å; R518-V583 HydrophobicContact CB-CG1 4.17Å; L521-V583 HydrophobicContact CD1-CG2 3.75Å; V583-A585 HydrophobicContact CG1-CB 4.38Å; V583-I588 WeakPolarHBondContact O-CA 3.5Å; V583-I588 VanDerWaalsContact O-CG2 3.24Å; V583-I588 WeakPolarHBondContact O-CG2 3.27Å; V583-Y589 HydrophobicContact CB-CD2 4.38Å; V583-Y589 HydrophobicContact CB-CG 4.4Å; V583-Y589 HydrophobicContact CG2-CD2 4.04Å; V583-Y589 HydrophobicContact CG2-CG 4.44Å; V583-Y589 PolarHBondContact N-O 3.25Å; V583-Y589 PolarHBondContact O-N 3.3Å; V583-Y589 VanDerWaalsContact O-N 3.13Å; V583-I591 HydrophobicContact CG2-CD1 4.15Å
584	T	87	Confident	91.6	Very high	34 Å²	34	28.1 Å²	28.1	21%	0.209	15%	0.153	C	C	.	.			trans	-87.6	-18.4	-175	82.7	0	0	0	0	113.8	E515 K558 V582	E515-T584 HydrophobicContact CG-CG2 4.28Å; E515-T584 PolarHBondContact OE1-OG1 3.4Å; E515-T584 WeakPolarHBondContact OE2-CB 3.45Å; E515-T584 WeakPolarHBondContact OE2-CG2 3.48Å; E515-T584 PolarHBondContact OE2-OG1 3.02Å; K558-T584 WeakPolarHBondContact CE-O 3.21Å; K558-T584 PolarHBondContact NZ-O 3.13Å; V582-T584 HydrophobicContact CG2-CG2 3.89Å
585	A	86.3	Confident	91.7	Very high	52 Å²	52	25.5 Å²	25.5	43%	0.43	14%	0.135	S	C	.	.	S	Bend	trans	-63.6	151.1	165.5	0	0	0	0	0	111.4	R518 V583 P587	R518-A585 PolarHBondContact NH2-O 3.43Å; V583-A585 HydrophobicContact CG1-CB 4.38Å; A585-P587 CarbonylContact O-C 3.56Å; A585-P587 VanDerWaalsContact O-C 3.29Å; A585-P587 VanDerWaalsContact O-O 3.1Å
586	E	85	Confident	91.6	Very high	127 Å²	127	30.3 Å²	30.3	59%	0.593	16%	0.157	S	C	*	.	S	Bend	trans	-83.9	146	-176.1	-66.9	-168.8	-175.2	0	0	113.6	R518 I588	R518-E586 VanDerWaalsContact CZ-O 3.28Å; R518-E586 PolarHBondContact NH1-O 3.45Å; R518-E586 PolarHBondContact NH2-O 2.85Å; E586-I588 HydrophobicContact CG-CG1 4.26Å
587	P	86.6	Confident	91.6	Very high	59 Å²	59	33.1 Å²	33.1	38%	0.383	17%	0.172	S	C	.	.	S	Bend	cis	-64.2	138.1	-13	28.8	-36.5	0	0	0	112.7	R518 A585 Y589	R518-P587 PolarHBondContact NH2-O 2.88Å; A585-P587 CarbonylContact O-C 3.56Å; A585-P587 VanDerWaalsContact O-C 3.29Å; A585-P587 VanDerWaalsContact O-O 3.1Å; P587-Y589 HydrophobicContact CB-CE1 4.23Å; P587-Y589 HydrophobicContact CG-CE1 3.9Å
588	I	88	Confident	91.6	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.031	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-72.9	133.7	-174.7	-49.6	172.1	0	0	0	109.5	L551 K558 F561 L562 V583 E586	L551-I588 PolarHBondContact N-O 2.86Å; K558-I588 HydrophobicContact CB-CD1 3.84Å; K558-I588 HydrophobicContact CD-CD1 3.69Å; K558-I588 HydrophobicContact CG-CD1 3.47Å; K558-I588 VanDerWaalsContact CG-CD1 3.47Å; F561-I588 HydrophobicContact CD1-CB 3.96Å; F561-I588 HydrophobicContact CD1-CG2 3.71Å; F561-I588 HydrophobicContact CE1-CB 3.97Å; F561-I588 HydrophobicContact CE1-CG2 3.78Å; F561-I588 WeakPolarHBondContact CE1-O 3.23Å; L562-I588 HydrophobicContact CD2-CG2 3.83Å; L562-I588 HydrophobicContact CG-CG2 4.36Å; V583-I588 WeakPolarHBondContact O-CA 3.5Å; V583-I588 VanDerWaalsContact O-CG2 3.24Å; V583-I588 WeakPolarHBondContact O-CG2 3.27Å; E586-I588 HydrophobicContact CG-CG1 4.26Å
589	Y	92.8	Very high	91.9	Very high	27 Å²	27	33 Å²	33	11%	0.106	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.9	174.8	-59.9	-18.1	0	0	0	111.2	R518 L521 V548 K549 T550 V582 V583 P587	R518-Y589 HydrophobicContact CG-CE2 3.88Å; L521-Y589 HydrophobicContact CD1-CD2 3.94Å; V548-Y589 HydrophobicContact CG1-CD1 4.31Å; V548-Y589 HydrophobicContact CG1-CD2 3.86Å; V548-Y589 HydrophobicContact CG1-CG 3.73Å; K549-Y589 WeakPolarHBondContact O-CA 3.47Å; T550-Y589 HydrophobicContact CG2-CD1 3.6Å; T550-Y589 HydrophobicContact CG2-CE1 3.6Å; T550-Y589 HydrophobicContact CG2-CG 4.5Å; V582-Y589 CarbonylContact C-O 3.55Å; V582-Y589 WeakPolarHBondContact CA-O 3.29Å; V583-Y589 HydrophobicContact CB-CD2 4.38Å; V583-Y589 HydrophobicContact CB-CG 4.4Å; V583-Y589 HydrophobicContact CG2-CD2 4.04Å; V583-Y589 HydrophobicContact CG2-CG 4.44Å; V583-Y589 PolarHBondContact N-O 3.25Å; V583-Y589 PolarHBondContact O-N 3.3Å; V583-Y589 VanDerWaalsContact O-N 3.13Å; P587-Y589 HydrophobicContact CB-CE1 4.23Å; P587-Y589 HydrophobicContact CG-CE1 3.9Å
590	I	92.4	Very high	92.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.6	164.9	-59.4	173.2	0	0	0	106.8	V548 K549 F561 E564 A565 L579 V582 T592	V548-I590 CarbonylContact C-O 3.52Å; V548-I590 WeakPolarHBondContact CA-O 3.47Å; K549-I590 HydrophobicContact CB-CB 4.29Å; K549-I590 PolarHBondContact N-O 2.91Å; K549-I590 PolarHBondContact O-N 3Å; F561-I590 HydrophobicContact CD1-CD1 4.12Å; F561-I590 HydrophobicContact CD1-CG1 4.34Å; F561-I590 HydrophobicContact CD2-CD1 4.19Å; F561-I590 HydrophobicContact CE1-CD1 3.81Å; F561-I590 HydrophobicContact CE1-CG1 3.72Å; F561-I590 HydrophobicContact CE2-CD1 3.88Å; F561-I590 HydrophobicContact CG-CD1 4.3Å; F561-I590 HydrophobicContact CZ-CD1 3.68Å; F561-I590 HydrophobicContact CZ-CG1 3.82Å; F561-I590 WeakPolarHBondContact O-CD1 3.47Å; E564-I590 HydrophobicContact CB-CD1 4.22Å; A565-I590 HydrophobicContact CB-CD1 4.24Å; A565-I590 HydrophobicContact CB-CG1 4.29Å; A565-I590 HydrophobicContact CB-CG2 4.35Å; L579-I590 HydrophobicContact CD1-CG2 3.5Å; V582-I590 HydrophobicContact CG1-CG1 4.47Å; I590-T592 HydrophobicContact CG2-CG2 4.29Å
591	I	94.5	Very high	92.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.6	-173.3	-59.8	86	0	0	0	108.4	I516 L521 V546 A547 V548 Y580 A581 V583	I516-I591 HydrophobicContact CD1-CD1 4.09Å; I516-I591 HydrophobicContact CD1-CG1 4.28Å; I516-I591 HydrophobicContact CG1-CD1 4.43Å; L521-I591 HydrophobicContact CD1-CD1 3.84Å; L521-I591 HydrophobicContact CD1-CG1 3.78Å; L521-I591 HydrophobicContact CD2-CG1 4.23Å; V546-I591 HydrophobicContact CB-CG2 3.72Å; V546-I591 HydrophobicContact CG1-CG2 3.9Å; V546-I591 HydrophobicContact CG2-CG2 3.92Å; A547-I591 WeakPolarHBondContact O-CA 3.5Å; V548-I591 HydrophobicContact CG1-CG1 4.41Å; V548-I591 HydrophobicContact CG2-CG1 4.39Å; Y580-I591 PolarHBondContact N-O 2.78Å; A581-I591 HydrophobicContact CB-CB 4.14Å; A581-I591 HydrophobicContact CB-CD1 4.28Å; A581-I591 PolarHBondContact N-O 2.94Å; A581-I591 WeakPolarHBondContact O-CD1 3.42Å; A581-I591 PolarHBondContact O-N 2.81Å; V583-I591 HydrophobicContact CG2-CD1 4.15Å
592	T	94.1	Very high	92.7	Very high	19 Å²	19	38.9 Å²	38.9	12%	0.117	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	171.8	-177.8	69.1	0	0	0	0	110.8	A547 M568 V577 R578 I590	A547-T592 PolarHBondContact N-O 2.92Å; A547-T592 PolarHBondContact O-N 3Å; M568-T592 HydrophobicContact CE-CG2 3.81Å; V577-T592 HydrophobicContact CG1-CG2 4.37Å; R578-T592 VanDerWaalsContact O-CA 3.29Å; R578-T592 WeakPolarHBondContact O-CA 3.21Å; R578-T592 VanDerWaalsContact O-CB 3.26Å; R578-T592 WeakPolarHBondContact O-CB 3.4Å; I590-T592 HydrophobicContact CG2-CG2 4.29Å
593	E	92.9	Very high	92.9	Very high	22 Å²	22	39.1 Å²	39.1	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	148.7	166	63.8	178.1	130.1	0	0	112.6	V577 R578 Y580 M595 K655	V577-E593 WeakPolarHBondContact CA-OE1 3.39Å; V577-E593 HydrophobicContact CG1-CG 4.02Å; R578-E593 HydrophobicContact CB-CG 4.3Å; R578-E593 WeakPolarHBondContact CB-OE1 3.3Å; R578-E593 PolarHBondContact N-OE1 3.42Å; R578-E593 PolarHBondContact O-N 2.67Å; Y580-E593 HydrophobicContact CE2-CB 3.92Å; E593-M595 HydrophobicContact CG-SD 4.5Å; E593-K655 WeakPolarHBondContact OE1-CD 3.42Å; E593-K655 IonicContact OE1-NZ 2.77Å; E593-K655 PolarHBondContact OE1-NZ 2.8Å; E593-K655 IonicContact OE2-NZ 3.43Å; E593-K655 PolarHBondContact OE2-NZ 3.49Å
594	L	94.6	Very high	93.2	Very high	28 Å²	28	39 Å²	39	15%	0.147	21%	0.21	C	C	.	.			trans	-92	107	178.7	179.8	63.8	0	0	0	111.4	L527 K537 E545 A547 K596	L527-L594 HydrophobicContact CD1-CD1 3.67Å; K537-L594 HydrophobicContact CD-CD2 3.86Å; K537-L594 HydrophobicContact CG-CD1 4.4Å; K537-L594 HydrophobicContact CG-CD2 3.88Å; E545-L594 HydrophobicContact CB-CD2 3.82Å; A547-L594 HydrophobicContact CB-CD1 4.13Å; L594-K596 PolarHBondContact O-N 2.73Å
595	M	95.3	Very high	93.6	Very high	16 Å²	16	42.5 Å²	42.5	8%	0.079	22%	0.219	C	C	.	.			trans	-84.8	91.9	176.4	-64.5	-65.9	-77.8	0	0	110.5	V577 E593 N597 G598 L647 V648 G649 K655	V577-M595 HydrophobicContact CG2-CG 4.33Å; E593-M595 HydrophobicContact CG-SD 4.5Å; M595-N597 PolarHBondContact O-N 3.47Å; M595-G598 PolarHBondContact O-N 3.43Å; M595-L647 HydrophobicContact CB-CB 3.62Å; M595-L647 HydrophobicContact CB-CD1 3.96Å; M595-L647 HydrophobicContact CB-CG 4.42Å; M595-L647 HydrophobicContact CE-CB 4.07Å; M595-L647 VanDerWaalsContact CE-O 3.28Å; M595-L647 WeakPolarHBondContact CE-O 3.32Å; M595-L647 HydrophobicContact CG-CB 3.68Å; M595-L647 HydrophobicContact CG-CD1 3.92Å; M595-L647 HydrophobicContact CG-CG 4.47Å; M595-V648 CarbonylContact C-O 3.29Å; M595-G649 VanDerWaalsContact CE-N 3.32Å; M595-K655 HydrophobicContact CE-CB 3.89Å; M595-K655 HydrophobicContact CE-CD 3.81Å; M595-K655 HydrophobicContact CE-CG 3.68Å; M595-K655 HydrophobicContact SD-CD 3.87Å; M595-K655 HydrophobicContact SD-CG 4.42Å
596	K	92	Very high	94	Very high	128 Å²	128	44.5 Å²	44.5	56%	0.557	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.1	-166.1	-64.7	-178.6	-177.3	173.3	0	116	L594 E650	L594-K596 PolarHBondContact O-N 2.73Å; K596-E650 HydrophobicContact CD-CG 4.39Å; K596-E650 WeakPolarHBondContact CD-OE1 3.26Å; K596-E650 WeakPolarHBondContact CE-OE1 3.44Å; K596-E650 IonicContact NZ-OE1 2.82Å; K596-E650 PolarHBondContact NZ-OE1 3.24Å
597	N	95	Very high	94.4	Very high	64 Å²	64	39.3 Å²	39.3	34%	0.342	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	7.1	-177.7	-76.4	-50.4	0	0	0	113.9	M595 Y603 V648 G649	M595-N597 PolarHBondContact O-N 3.47Å; N597-Y603 HydrophobicContact CB-CD2 3.77Å; N597-Y603 HydrophobicContact CB-CE2 3.87Å; N597-V648 WeakPolarHBondContact CA-O 2.97Å; N597-V648 HydrophobicContact CB-CB 3.77Å; N597-V648 HydrophobicContact CB-CG1 3.89Å; N597-V648 WeakPolarHBondContact CB-O 3.38Å; N597-V648 PolarHBondContact N-O 3.22Å; N597-G649 PolarHBondContact ND2-O 3.18Å
598	G	94.8	Very high	94.8	Very high	31 Å²	31	39.9 Å²	39.9	32%	0.32	21%	0.207	S	C	.	.			trans	73.6	-150.2	175.6	0	0	0	0	0	113.1	M595 L647 V648	M595-G598 PolarHBondContact O-N 3.43Å; G598-L647 CarbonylContact O-C 3.6Å; G598-L647 VanDerWaalsContact O-CA 3.31Å; G598-L647 WeakPolarHBondContact O-CA 3.35Å; G598-V648 PolarHBondContact O-N 3.46Å
599	S	96.6	Very high	95.2	Very high	31 Å²	31	39.6 Å²	39.6	22%	0.217	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-84.5	147.3	178.4	61	0	0	0	0	112.8	L601 K602 Y603 R644 I646	S599-L601 PolarHBondContact O-N 3.42Å; S599-K602 PolarHBondContact O-N 2.77Å; S599-Y603 PolarHBondContact O-N 2.85Å; S599-R644 VanDerWaalsContact CB-O 3.24Å; S599-R644 WeakPolarHBondContact CB-O 3.31Å; S599-I646 CarbonylContact C-O 3.57Å; S599-I646 VanDerWaalsContact CA-O 3.28Å; S599-I646 WeakPolarHBondContact CA-O 3.44Å
600	L	98.4	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-36.6	-177.6	-179.6	60.7	0	0	0	111.9	K602 Y603 L604 M620 I624 A643 I646 V648 V654 I711	L600-K602 VanDerWaalsContact C-N 3.34Å; L600-K602 PolarHBondContact O-N 2.86Å; L600-Y603 HydrophobicContact CD1-CD1 4.37Å; L600-Y603 PolarHBondContact O-N 2.98Å; L600-L604 HydrophobicContact CD1-CD1 3.95Å; L600-L604 HydrophobicContact CD1-CD2 4.33Å; L600-L604 HydrophobicContact CD1-CG 3.82Å; L600-L604 HydrophobicContact CG-CD1 3.84Å; L600-L604 HydrophobicContact CG-CG 4.2Å; L600-L604 WeakPolarHBondContact O-CB 3.23Å; L600-L604 VanDerWaalsContact O-CG 3.31Å; L600-L604 WeakPolarHBondContact O-CG 3.24Å; L600-L604 PolarHBondContact O-N 2.9Å; L600-M620 HydrophobicContact CD1-CE 4.36Å; L600-M620 HydrophobicContact CD1-SD 3.58Å; L600-M620 VanDerWaalsContact CD1-SD 3.58Å; L600-I624 HydrophobicContact CD2-CD1 3.94Å; L600-A643 WeakPolarHBondContact CB-O 3.36Å; L600-A643 PolarHBondContact N-O 3.43Å; L600-I646 HydrophobicContact CB-CB 3.92Å; L600-I646 HydrophobicContact CB-CG2 4.04Å; L600-I646 HydrophobicContact CD2-CB 4.11Å; L600-I646 HydrophobicContact CD2-CG2 3.89Å; L600-I646 PolarHBondContact N-O 3.25Å; L600-V648 HydrophobicContact CB-CG2 3.87Å; L600-V648 HydrophobicContact CD1-CG2 3.88Å; L600-V654 HydrophobicContact CD1-CG1 4.46Å; L600-I711 HydrophobicContact CD2-CD1 4.06Å; L600-I711 HydrophobicContact CD2-CG1 3.99Å
601	L	97.7	Very high	95.4	Very high	30 Å²	30	50.7 Å²	50.7	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-40.7	173.8	-176.8	62.2	0	0	0	113.2	S599 R605 A643 R644	S599-L601 PolarHBondContact O-N 3.42Å; L601-R605 WeakPolarHBondContact O-CG 3.28Å; L601-R605 PolarHBondContact O-N 3.17Å; L601-A643 HydrophobicContact CB-CB 4.17Å; L601-A643 PolarHBondContact N-O 3.45Å; L601-R644 HydrophobicContact CB-CB 4.3Å; L601-R644 HydrophobicContact CD2-CB 3.93Å
602	K	96.5	Very high	95.4	Very high	126 Å²	126	52 Å²	52	55%	0.548	26%	0.263	S	S	.	.	H	α-helix	trans	-75.7	-40	175.7	-171.3	-177.7	-179.8	-176.1	0	110.8	S599 L600 L604 R605 D606 G607	S599-K602 PolarHBondContact O-N 2.77Å; L600-K602 VanDerWaalsContact C-N 3.34Å; L600-K602 PolarHBondContact O-N 2.86Å; K602-L604 PolarHBondContact O-N 3.43Å; K602-R605 PolarHBondContact O-N 3.45Å; K602-D606 HydrophobicContact CG-CB 4.3Å; K602-D606 PolarHBondContact O-N 2.96Å; K602-G607 PolarHBondContact O-N 3.43Å
603	Y	98	Very high	95.4	Very high	18 Å²	18	53.1 Å²	53.1	7%	0.071	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-42.7	179.8	-172.1	-104.2	0	0	0	112.7	N597 S599 L600 G607 P608 G609 L612 M620 V648 N652	N597-Y603 HydrophobicContact CB-CD2 3.77Å; N597-Y603 HydrophobicContact CB-CE2 3.87Å; S599-Y603 PolarHBondContact O-N 2.85Å; L600-Y603 HydrophobicContact CD1-CD1 4.37Å; L600-Y603 PolarHBondContact O-N 2.98Å; Y603-G607 CarbonylContact O-C 3.58Å; Y603-G607 VanDerWaalsContact O-C 3.25Å; Y603-G607 VanDerWaalsContact O-CA 3.31Å; Y603-G607 WeakPolarHBondContact O-CA 3.33Å; Y603-G607 PolarHBondContact O-N 3.24Å; Y603-P608 HydrophobicContact CE2-CB 4.07Å; Y603-P608 HydrophobicContact CE2-CG 4.02Å; Y603-G609 VanDerWaalsContact CE1-CA 3.48Å; Y603-G609 WeakPolarHBondContact O-CA 3.31Å; Y603-G609 PolarHBondContact O-N 3.06Å; Y603-L612 HydrophobicContact CE1-CD1 4.12Å; Y603-M620 HydrophobicContact CD1-CE 4.34Å; Y603-M620 HydrophobicContact CE1-CE 3.95Å; Y603-V648 HydrophobicContact CD1-CG1 4.13Å; Y603-V648 HydrophobicContact CD1-CG2 4.2Å; Y603-V648 HydrophobicContact CD2-CB 4.49Å; Y603-V648 HydrophobicContact CD2-CG1 4.21Å; Y603-V648 HydrophobicContact CE1-CG1 4.17Å; Y603-V648 HydrophobicContact CE2-CG1 4.24Å; Y603-V648 HydrophobicContact CG-CB 4.33Å; Y603-V648 HydrophobicContact CG-CG1 4.15Å; Y603-V648 HydrophobicContact CG-CG2 3.99Å; Y603-N652 PolarHBondContact OH-OD1 3.39Å
604	L	98	Very high	95.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-71.5	-39.2	178.4	-71.4	170.2	0	0	0	113.6	L600 K602 K610 L617 I711 Y714	L600-L604 HydrophobicContact CD1-CD1 3.95Å; L600-L604 HydrophobicContact CD1-CD2 4.33Å; L600-L604 HydrophobicContact CD1-CG 3.82Å; L600-L604 HydrophobicContact CG-CD1 3.84Å; L600-L604 HydrophobicContact CG-CG 4.2Å; L600-L604 WeakPolarHBondContact O-CB 3.23Å; L600-L604 VanDerWaalsContact O-CG 3.31Å; L600-L604 WeakPolarHBondContact O-CG 3.24Å; L600-L604 PolarHBondContact O-N 2.9Å; K602-L604 PolarHBondContact O-N 3.43Å; L604-K610 VanDerWaalsContact O-CA 3.29Å; L604-K610 WeakPolarHBondContact O-CA 3.17Å; L604-K610 VanDerWaalsContact O-CB 3.29Å; L604-K610 WeakPolarHBondContact O-CB 3.49Å; L604-K610 PolarHBondContact O-N 3.17Å; L604-L617 HydrophobicContact CD2-CD2 3.69Å; L604-I711 HydrophobicContact CD1-CG1 4.28Å; L604-Y714 HydrophobicContact CD2-CD1 4.45Å
605	R	96.5	Very high	95.3	Very high	107 Å²	107	58.8 Å²	58.8	40%	0.404	31%	0.305	S	S	.	.	H	α-helix	trans	-80.5	-55.9	-178.4	-70.6	178.3	176.9	-179.6	2.8	113.2	L601 K602 Y714 G715	L601-R605 WeakPolarHBondContact O-CG 3.28Å; L601-R605 PolarHBondContact O-N 3.17Å; K602-R605 PolarHBondContact O-N 3.45Å; R605-Y714 VanDerWaalsContact CG-O 3.27Å; R605-Y714 WeakPolarHBondContact CG-O 3.27Å; R605-G715 PolarHBondContact NE-O 2.9Å; R605-G715 PolarHBondContact NH2-O 2.71Å
606	D	94.1	Very high	95.2	Very high	95 Å²	95	60.1 Å²	60.1	51%	0.508	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-21.8	-163.4	-55	-31.2	0	0	0	111.7	K602	K602-D606 HydrophobicContact CG-CB 4.3Å; K602-D606 PolarHBondContact O-N 2.96Å
607	G	94.2	Very high	95.5	Very high	18 Å²	18	54.1 Å²	54.1	19%	0.186	29%	0.289	C	S	.	.	S	Bend	trans	-98.2	-166.2	-176	0	0	0	0	0	114.9	K602 Y603 G609 K610	K602-G607 PolarHBondContact O-N 3.43Å; Y603-G607 CarbonylContact O-C 3.58Å; Y603-G607 VanDerWaalsContact O-C 3.25Å; Y603-G607 VanDerWaalsContact O-CA 3.31Å; Y603-G607 WeakPolarHBondContact O-CA 3.33Å; Y603-G607 PolarHBondContact O-N 3.24Å; G607-G609 PolarHBondContact O-N 3.03Å; G607-G609 VanDerWaalsContact O-N 3.16Å; G607-K610 WeakPolarHBondContact O-CD 3.46Å; G607-K610 WeakPolarHBondContact O-CG 3.32Å; G607-K610 PolarHBondContact O-N 3.33Å
608	P	94.5	Very high	95.6	Very high	71 Å²	71	51.1 Å²	51.1	46%	0.461	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-61.8	-16.6	176.8	-23.5	33.8	0	0	0	114.9	Y603 K610 E611	Y603-P608 HydrophobicContact CE2-CB 4.07Å; Y603-P608 HydrophobicContact CE2-CG 4.02Å; P608-K610 PolarHBondContact O-N 3.49Å; P608-E611 PolarHBondContact O-N 2.98Å
609	G	95.6	Very high	95.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62	-25.7	179.7	0	0	0	0	0	114.1	Y603 G607 E611 L612	Y603-G609 VanDerWaalsContact CE1-CA 3.48Å; Y603-G609 WeakPolarHBondContact O-CA 3.31Å; Y603-G609 PolarHBondContact O-N 3.06Å; G607-G609 PolarHBondContact O-N 3.03Å; G607-G609 VanDerWaalsContact O-N 3.16Å; G609-E611 PolarHBondContact O-N 3.47Å; G609-L612 WeakPolarHBondContact O-CB 3.31Å; G609-L612 PolarHBondContact O-N 2.84Å
610	K	95.1	Very high	95.6	Very high	111 Å²	111	50.1 Å²	50.1	48%	0.483	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-63.5	-16.7	177.4	80.9	-163.8	177	-172.7	0	114.2	L604 G607 P608	L604-K610 VanDerWaalsContact O-CA 3.29Å; L604-K610 WeakPolarHBondContact O-CA 3.17Å; L604-K610 VanDerWaalsContact O-CB 3.29Å; L604-K610 WeakPolarHBondContact O-CB 3.49Å; L604-K610 PolarHBondContact O-N 3.17Å; G607-K610 WeakPolarHBondContact O-CD 3.46Å; G607-K610 WeakPolarHBondContact O-CG 3.32Å; G607-K610 PolarHBondContact O-N 3.33Å; P608-K610 PolarHBondContact O-N 3.49Å
611	E	95.3	Very high	95.7	Very high	150 Å²	150	50.1 Å²	50.1	70%	0.701	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-105.6	4.4	-177.6	-73.4	163.6	-142.1	0	0	112.3	P608 G609	P608-E611 PolarHBondContact O-N 2.98Å; G609-E611 PolarHBondContact O-N 3.47Å
612	L	94.9	Very high	95.7	Very high	26 Å²	26	48.7 Å²	48.7	14%	0.136	25%	0.25	C	S	.	.			trans	-78	129.3	-180	-65.9	179.8	0	0	0	112.1	Y603 G609 P616 L617 M620 Y714	Y603-L612 HydrophobicContact CE1-CD1 4.12Å; G609-L612 WeakPolarHBondContact O-CB 3.31Å; G609-L612 PolarHBondContact O-N 2.84Å; L612-P616 HydrophobicContact CB-CB 4.23Å; L612-P616 HydrophobicContact CD1-CB 4.18Å; L612-P616 HydrophobicContact CD2-CB 3.98Å; L612-P616 HydrophobicContact CD2-CG 4.25Å; L612-P616 HydrophobicContact CG-CB 4.36Å; L612-L617 HydrophobicContact CB-CD2 4.11Å; L612-L617 HydrophobicContact CB-CG 4.31Å; L612-L617 HydrophobicContact CD1-CD2 4.3Å; L612-M620 HydrophobicContact CD1-CE 3.55Å; L612-M620 HydrophobicContact CD1-SD 4.36Å; L612-Y714 WeakPolarHBondContact O-CE1 3.43Å; L612-Y714 PolarHBondContact O-OH 3.48Å; L612-Y714 VanDerWaalsContact O-OH 3.06Å
613	G	93.9	Very high	95.7	Very high	44 Å²	44	42.9 Å²	42.9	45%	0.454	23%	0.225	S	C	.	.			trans	-71.6	172.7	166.2	0	0	0	0	0	113.1	K615 P616 L617	G613-K615 VanDerWaalsContact C-N 3.31Å; G613-K615 PolarHBondContact O-N 3.25Å; G613-P616 VanDerWaalsContact O-CD 3.25Å; G613-P616 WeakPolarHBondContact O-CD 3.36Å; G613-L617 PolarHBondContact O-N 2.81Å
614	L	93.6	Very high	95.7	Very high	60 Å²	60	42 Å²	42	31%	0.314	22%	0.222	S	C	.	.	H	α-helix	trans	-54.7	-37.6	-174.9	-177.4	64.8	0	0	0	114.6	L617 I618 I712 P744 I747	L614-L617 PolarHBondContact O-N 3.05Å; L614-I618 HydrophobicContact CD1-CD1 3.91Å; L614-I618 HydrophobicContact CD1-CG1 4.03Å; L614-I618 HydrophobicContact CD2-CD1 4.24Å; L614-I618 HydrophobicContact CG-CD1 3.75Å; L614-I618 HydrophobicContact CG-CG1 4.24Å; L614-I618 WeakPolarHBondContact O-CG1 3.44Å; L614-I618 PolarHBondContact O-N 2.74Å; L614-I712 HydrophobicContact CD1-CD1 3.88Å; L614-P744 HydrophobicContact CD1-CG 4.35Å; L614-P744 HydrophobicContact CD2-CG 3.72Å; L614-I747 HydrophobicContact CD1-CD1 4.11Å
615	K	91.6	Very high	95.8	Very high	109 Å²	109	42 Å²	42	47%	0.474	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-52.2	-176.1	178.6	175	179.5	179.4	0	112.7	G613 L617 I618 D619 F776	G613-K615 VanDerWaalsContact C-N 3.31Å; G613-K615 PolarHBondContact O-N 3.25Å; K615-L617 VanDerWaalsContact C-N 3.33Å; K615-L617 PolarHBondContact O-N 2.76Å; K615-I618 PolarHBondContact O-N 3.37Å; K615-D619 PolarHBondContact O-N 2.78Å; K615-D619 VanDerWaalsContact O-N 3.09Å; K615-F776 HydrophobicContact CB-CE2 3.93Å; K615-F776 HydrophobicContact CB-CZ 3.79Å; K615-F776 HydrophobicContact CG-CD2 4.46Å; K615-F776 HydrophobicContact CG-CE2 3.88Å; K615-F776 HydrophobicContact CG-CZ 4.21Å
616	P	94	Very high	95.8	Very high	43 Å²	43	38.2 Å²	38.2	28%	0.279	21%	0.212	S	C	.	.	H	α-helix	trans	-55.4	-38.6	168.2	-30.1	33.5	0	0	0	115.6	L612 G613 D619 M620	L612-P616 HydrophobicContact CB-CB 4.23Å; L612-P616 HydrophobicContact CD1-CB 4.18Å; L612-P616 HydrophobicContact CD2-CB 3.98Å; L612-P616 HydrophobicContact CD2-CG 4.25Å; L612-P616 HydrophobicContact CG-CB 4.36Å; G613-P616 VanDerWaalsContact O-CD 3.25Å; G613-P616 WeakPolarHBondContact O-CD 3.36Å; P616-D619 PolarHBondContact O-N 2.94Å; P616-M620 WeakPolarHBondContact O-CG 3.4Å; P616-M620 PolarHBondContact O-N 3.28Å
617	L	97.2	Very high	96	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-41.5	-179.9	-64.3	176.7	0	0	0	111.9	L604 L612 G613 L614 K615 M620 M621 I711 Y714	L604-L617 HydrophobicContact CD2-CD2 3.69Å; L612-L617 HydrophobicContact CB-CD2 4.11Å; L612-L617 HydrophobicContact CB-CG 4.31Å; L612-L617 HydrophobicContact CD1-CD2 4.3Å; G613-L617 PolarHBondContact O-N 2.81Å; L614-L617 PolarHBondContact O-N 3.05Å; K615-L617 VanDerWaalsContact C-N 3.33Å; K615-L617 PolarHBondContact O-N 2.76Å; L617-M620 PolarHBondContact O-N 3.15Å; L617-M621 WeakPolarHBondContact O-CG 3.48Å; L617-M621 PolarHBondContact O-N 2.85Å; L617-I711 HydrophobicContact CB-CG2 3.81Å; L617-I711 HydrophobicContact CD2-CG2 3.96Å; L617-I711 HydrophobicContact CG-CG2 4.38Å; L617-Y714 HydrophobicContact CD1-CE1 3.9Å; L617-Y714 HydrophobicContact CD2-CE1 4.48Å
618	I	96.3	Very high	96.2	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-39	174.2	-69.4	177.4	0	0	0	111.3	L614 K615 M620 M621 A622 I747 F772 Y775 F776	L614-I618 HydrophobicContact CD1-CD1 3.91Å; L614-I618 HydrophobicContact CD1-CG1 4.03Å; L614-I618 HydrophobicContact CD2-CD1 4.24Å; L614-I618 HydrophobicContact CG-CD1 3.75Å; L614-I618 HydrophobicContact CG-CG1 4.24Å; L614-I618 WeakPolarHBondContact O-CG1 3.44Å; L614-I618 PolarHBondContact O-N 2.74Å; K615-I618 PolarHBondContact O-N 3.37Å; I618-M620 VanDerWaalsContact C-N 3.3Å; I618-M620 PolarHBondContact O-N 3.12Å; I618-M621 HydrophobicContact CG1-SD 4.47Å; I618-M621 WeakPolarHBondContact O-CB 3.43Å; I618-M621 PolarHBondContact O-N 3.41Å; I618-M621 VanDerWaalsContact O-N 3.11Å; I618-A622 PolarHBondContact O-N 3.34Å; I618-I747 HydrophobicContact CD1-CD1 3.65Å; I618-I747 HydrophobicContact CG1-CD1 3.88Å; I618-F772 HydrophobicContact CG2-CB 4.34Å; I618-F772 HydrophobicContact CG2-CD1 4.1Å; I618-F772 WeakPolarHBondContact CG2-O 3.44Å; I618-Y775 HydrophobicContact CD1-CD1 3.47Å; I618-Y775 VanDerWaalsContact CD1-CD1 3.47Å; I618-Y775 HydrophobicContact CD1-CD2 4.4Å; I618-Y775 HydrophobicContact CD1-CE1 3.42Å; I618-Y775 VanDerWaalsContact CD1-CE1 3.42Å; I618-Y775 HydrophobicContact CD1-CE2 4.35Å; I618-Y775 HydrophobicContact CD1-CG 3.99Å; I618-Y775 HydrophobicContact CG2-CD1 4.48Å; I618-Y775 HydrophobicContact CG2-CG 4.26Å; I618-F776 HydrophobicContact CB-CE2 4.27Å; I618-F776 HydrophobicContact CD1-CE2 3.88Å; I618-F776 HydrophobicContact CD1-CZ 3.78Å; I618-F776 HydrophobicContact CG2-CE2 4.26Å
619	D	95.2	Very high	96.3	Very high	40 Å²	40	30.5 Å²	30.5	21%	0.214	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-36.9	175.4	-169.9	64.9	0	0	0	112.3	R410 K615 P616 M621 A622 Q623	R410-D619 IonicContact CZ-OD1 2.95Å; R410-D619 IonicContact NE-OD1 2.66Å; R410-D619 PolarHBondContact NE-OD1 2.7Å; R410-D619 IonicContact NE-OD2 2.65Å; R410-D619 PolarHBondContact NE-OD2 3.13Å; R410-D619 IonicContact NH2-OD1 2.7Å; R410-D619 PolarHBondContact NH2-OD1 2.73Å; K615-D619 PolarHBondContact O-N 2.78Å; K615-D619 VanDerWaalsContact O-N 3.09Å; P616-D619 PolarHBondContact O-N 2.94Å; D619-M621 PolarHBondContact O-N 3.47Å; D619-A622 PolarHBondContact O-N 2.76Å; D619-Q623 WeakPolarHBondContact O-CB 3.35Å; D619-Q623 VanDerWaalsContact O-CG 3.29Å; D619-Q623 WeakPolarHBondContact O-CG 3.21Å; D619-Q623 PolarHBondContact O-N 3.44Å; D619-Q623 PolarHBondContact OD2-NE2 2.98Å
620	M	98.1	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-40.4	171.4	-68.6	179	177.2	0	0	112.3	L600 Y603 L612 P616 L617 I618 A622 Q623 I624 N652 V654	L600-M620 HydrophobicContact CD1-CE 4.36Å; L600-M620 HydrophobicContact CD1-SD 3.58Å; L600-M620 VanDerWaalsContact CD1-SD 3.58Å; Y603-M620 HydrophobicContact CD1-CE 4.34Å; Y603-M620 HydrophobicContact CE1-CE 3.95Å; L612-M620 HydrophobicContact CD1-CE 3.55Å; L612-M620 HydrophobicContact CD1-SD 4.36Å; P616-M620 WeakPolarHBondContact O-CG 3.4Å; P616-M620 PolarHBondContact O-N 3.28Å; L617-M620 PolarHBondContact O-N 3.15Å; I618-M620 VanDerWaalsContact C-N 3.3Å; I618-M620 PolarHBondContact O-N 3.12Å; M620-A622 VanDerWaalsContact C-N 3.34Å; M620-Q623 PolarHBondContact O-N 2.7Å; M620-I624 WeakPolarHBondContact O-CD1 3.45Å; M620-I624 VanDerWaalsContact O-CG1 3.22Å; M620-I624 WeakPolarHBondContact O-CG1 3.44Å; M620-I624 PolarHBondContact O-N 2.84Å; M620-N652 HydrophobicContact CE-CB 3.64Å; M620-V654 HydrophobicContact CB-CG1 4.45Å; M620-V654 HydrophobicContact CB-CG2 4.2Å; M620-V654 HydrophobicContact CE-CG1 4.42Å; M620-V654 HydrophobicContact CG-CG1 3.94Å; M620-V654 HydrophobicContact CG-CG2 4.36Å; M620-V654 HydrophobicContact SD-CG1 4.26Å
621	M	98.6	Very high	96.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-44.7	174.5	-61	169.1	-161.5	0	0	111.2	L617 I618 D619 I624 A625 F704 I708 I711 I712 I747 F772	L617-M621 WeakPolarHBondContact O-CG 3.48Å; L617-M621 PolarHBondContact O-N 2.85Å; I618-M621 HydrophobicContact CG1-SD 4.47Å; I618-M621 WeakPolarHBondContact O-CB 3.43Å; I618-M621 PolarHBondContact O-N 3.41Å; I618-M621 VanDerWaalsContact O-N 3.11Å; D619-M621 PolarHBondContact O-N 3.47Å; M621-I624 PolarHBondContact O-N 3.26Å; M621-A625 WeakPolarHBondContact O-CB 3.3Å; M621-A625 PolarHBondContact O-N 3.4Å; M621-F704 HydrophobicContact CB-CZ 4.38Å; M621-F704 WeakPolarHBondContact O-CZ 3.48Å; M621-I708 HydrophobicContact CE-CG2 4.1Å; M621-I708 HydrophobicContact CG-CG1 4.34Å; M621-I708 HydrophobicContact SD-CG1 4.27Å; M621-I708 HydrophobicContact SD-CG2 3.97Å; M621-I711 HydrophobicContact CE-CB 4Å; M621-I711 HydrophobicContact CE-CG2 3.49Å; M621-I711 VanDerWaalsContact CE-CG2 3.49Å; M621-I711 HydrophobicContact CG-CD1 3.87Å; M621-I711 HydrophobicContact CG-CG2 4.28Å; M621-I712 HydrophobicContact CE-CD1 3.68Å; M621-I712 HydrophobicContact CE-CG1 3.68Å; M621-I747 HydrophobicContact SD-CG2 4.49Å; M621-F772 HydrophobicContact CB-CB 4.46Å; M621-F772 HydrophobicContact CB-CD1 4.23Å; M621-F772 HydrophobicContact CB-CD2 3.98Å; M621-F772 HydrophobicContact CB-CE1 4.5Å; M621-F772 HydrophobicContact CB-CE2 4.28Å; M621-F772 HydrophobicContact CB-CG 3.97Å; M621-F772 HydrophobicContact SD-CD1 4.06Å; M621-F772 HydrophobicContact SD-CE1 3.67Å; M621-F772 HydrophobicContact SD-CZ 3.98Å
622	A	97.7	Very high	96.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-46	177.7	0	0	0	0	0	112.2	I618 D619 M620 I624 A625 S626 F772 E773	I618-A622 PolarHBondContact O-N 3.34Å; D619-A622 PolarHBondContact O-N 2.76Å; M620-A622 VanDerWaalsContact C-N 3.34Å; A622-I624 PolarHBondContact O-N 3.16Å; A622-A625 PolarHBondContact O-N 3.32Å; A622-S626 WeakPolarHBondContact O-CB 3.47Å; A622-S626 PolarHBondContact O-N 2.87Å; A622-F772 HydrophobicContact CB-CB 3.72Å; A622-E773 HydrophobicContact CB-CG 3.66Å
623	Q	97.7	Very high	96.4	Very high	4 Å²	4	25 Å²	25	2%	0.019	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-40.5	175.9	-73.9	-176.3	56.4	0	0	112.5	R575 D619 M620 S626 G627 N652 V654	R575-Q623 VanDerWaalsContact CB-O 3.29Å; R575-Q623 WeakPolarHBondContact CB-O 3.39Å; R575-Q623 WeakPolarHBondContact CG-O 3.44Å; D619-Q623 WeakPolarHBondContact O-CB 3.35Å; D619-Q623 VanDerWaalsContact O-CG 3.29Å; D619-Q623 WeakPolarHBondContact O-CG 3.21Å; D619-Q623 PolarHBondContact O-N 3.44Å; D619-Q623 PolarHBondContact OD2-NE2 2.98Å; M620-Q623 PolarHBondContact O-N 2.7Å; Q623-S626 WeakPolarHBondContact O-CB 3.5Å; Q623-G627 PolarHBondContact O-N 3.34Å; Q623-G627 VanDerWaalsContact O-N 3.15Å; Q623-N652 PolarHBondContact NE2-O 2.7Å; Q623-N652 VanDerWaalsContact NE2-O 3.13Å; Q623-V654 HydrophobicContact CB-CG2 3.47Å; Q623-V654 VanDerWaalsContact CB-CG2 3.47Å; Q623-V654 HydrophobicContact CG-CG2 4.33Å
624	I	98.7	Very high	96.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-68.9	-44.9	176	-65.1	158.5	0	0	0	110.7	L600 M620 M621 A622 S626 G627 M628 L641 I646 V654 V656 F704 V707 I711	L600-I624 HydrophobicContact CD2-CD1 3.94Å; M620-I624 WeakPolarHBondContact O-CD1 3.45Å; M620-I624 VanDerWaalsContact O-CG1 3.22Å; M620-I624 WeakPolarHBondContact O-CG1 3.44Å; M620-I624 PolarHBondContact O-N 2.84Å; M621-I624 PolarHBondContact O-N 3.26Å; A622-I624 PolarHBondContact O-N 3.16Å; I624-S626 VanDerWaalsContact C-N 3.3Å; I624-S626 PolarHBondContact O-N 3.44Å; I624-G627 PolarHBondContact O-N 2.99Å; I624-G627 VanDerWaalsContact O-N 3.12Å; I624-M628 HydrophobicContact CG2-CG 4.46Å; I624-M628 WeakPolarHBondContact O-CG 3.39Å; I624-M628 PolarHBondContact O-N 3.42Å; I624-L641 HydrophobicContact CG2-CD1 4.43Å; I624-I646 HydrophobicContact CD1-CD1 4.38Å; I624-I646 HydrophobicContact CD1-CG1 3.99Å; I624-I646 HydrophobicContact CD1-CG2 4.04Å; I624-I646 HydrophobicContact CG1-CD1 4.09Å; I624-I646 HydrophobicContact CG1-CG1 4.21Å; I624-I646 HydrophobicContact CG1-CG2 4.02Å; I624-I646 HydrophobicContact CG2-CD1 3.98Å; I624-V654 HydrophobicContact CD1-CG2 4.41Å; I624-V654 HydrophobicContact CG1-CG2 3.89Å; I624-V656 HydrophobicContact CG2-CG2 4.41Å; I624-F704 HydrophobicContact CB-CE2 3.97Å; I624-F704 HydrophobicContact CG2-CD2 3.82Å; I624-F704 HydrophobicContact CG2-CE2 3.62Å; I624-V707 HydrophobicContact CD1-CG1 4.09Å; I624-I711 HydrophobicContact CD1-CD1 3.74Å
625	A	98.6	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-39.9	177	0	0	0	0	0	111.9	M621 A622 M628 A629 F704 L768 C769	M621-A625 WeakPolarHBondContact O-CB 3.3Å; M621-A625 PolarHBondContact O-N 3.4Å; A622-A625 PolarHBondContact O-N 3.32Å; A625-M628 PolarHBondContact O-N 2.9Å; A625-A629 VanDerWaalsContact O-CB 3.3Å; A625-A629 WeakPolarHBondContact O-CB 3.43Å; A625-A629 PolarHBondContact O-N 3.09Å; A625-F704 HydrophobicContact CB-CE1 4.18Å; A625-F704 HydrophobicContact CB-CE2 4.47Å; A625-F704 HydrophobicContact CB-CZ 3.8Å; A625-L768 HydrophobicContact CB-CB 4.2Å; A625-C769 HydrophobicContact CB-CB 4.1Å
626	S	97.7	Very high	96.2	Very high	27 Å²	27	23.1 Å²	23.1	19%	0.189	12%	0.117	C	C	.	.	H	α-helix	trans	-57.7	-46.7	171.4	173.6	0	0	0	0	111.9	H573 A622 Q623 I624 M628 A629 Y630	H573-S626 PolarHBondContact CE1-O 2.89Å; H573-S626 VanDerWaalsContact CE1-O 3.32Å; H573-S626 PolarHBondContact CE1-OG 2.9Å; A622-S626 WeakPolarHBondContact O-CB 3.47Å; A622-S626 PolarHBondContact O-N 2.87Å; Q623-S626 WeakPolarHBondContact O-CB 3.5Å; I624-S626 VanDerWaalsContact C-N 3.3Å; I624-S626 PolarHBondContact O-N 3.44Å; S626-M628 PolarHBondContact O-N 2.82Å; S626-A629 PolarHBondContact O-N 2.77Å; S626-Y630 PolarHBondContact O-N 3.21Å
627	G	97.4	Very high	96.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-43.2	174.5	0	0	0	0	0	113.3	Q623 I624 Y630 L631	Q623-G627 PolarHBondContact O-N 3.34Å; Q623-G627 VanDerWaalsContact O-N 3.15Å; I624-G627 PolarHBondContact O-N 2.99Å; I624-G627 VanDerWaalsContact O-N 3.12Å; G627-Y630 PolarHBondContact O-N 2.76Å; G627-L631 PolarHBondContact O-N 2.91Å
628	M	98.3	Very high	95.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-73.9	-29.5	178.7	-67.7	-58.8	-51.9	0	0	113.5	I624 A625 S626 Y630 L631 E632 H638 L641 V656 I697 D700 F765	I624-M628 HydrophobicContact CG2-CG 4.46Å; I624-M628 WeakPolarHBondContact O-CG 3.39Å; I624-M628 PolarHBondContact O-N 3.42Å; A625-M628 PolarHBondContact O-N 2.9Å; S626-M628 PolarHBondContact O-N 2.82Å; M628-Y630 VanDerWaalsContact C-N 3.3Å; M628-Y630 PolarHBondContact O-N 3.06Å; M628-L631 HydrophobicContact CE-CD1 4.05Å; M628-L631 PolarHBondContact O-N 2.96Å; M628-L631 HydrophobicContact SD-CD1 3.78Å; M628-E632 WeakPolarHBondContact O-CB 3.34Å; M628-E632 PolarHBondContact O-N 3.29Å; M628-H638 HydrophobicContact CE-CB 4.01Å; M628-H638 HydrophobicContact SD-CB 4.38Å; M628-L641 HydrophobicContact CE-CD2 4.06Å; M628-L641 HydrophobicContact CG-CD1 4.39Å; M628-L641 HydrophobicContact CG-CD2 3.86Å; M628-L641 HydrophobicContact SD-CD1 3.91Å; M628-L641 HydrophobicContact SD-CD2 3.81Å; M628-L641 HydrophobicContact SD-CG 4.41Å; M628-V656 HydrophobicContact SD-CG1 4.24Å; M628-V656 HydrophobicContact SD-CG2 4.36Å; M628-I697 HydrophobicContact CE-CD1 4.22Å; M628-D700 HydrophobicContact CE-CB 3.77Å; M628-F765 HydrophobicContact CB-CB 4.17Å; M628-F765 HydrophobicContact CB-CD1 3.3Å; M628-F765 HydrophobicContact CB-CD2 3.8Å; M628-F765 HydrophobicContact CB-CE1 3.41Å; M628-F765 VanDerWaalsContact CB-CE1 3.41Å; M628-F765 HydrophobicContact CB-CE2 3.9Å; M628-F765 HydrophobicContact CB-CG 3.49Å; M628-F765 VanDerWaalsContact CB-CG 3.49Å; M628-F765 HydrophobicContact CB-CZ 3.7Å; M628-F765 HydrophobicContact CE-CD2 4.45Å; M628-F765 HydrophobicContact CE-CE2 3.72Å; M628-F765 HydrophobicContact CE-CZ 3.76Å; M628-F765 HydrophobicContact CG-CD1 4.15Å; M628-F765 HydrophobicContact CG-CE1 3.75Å; M628-F765 HydrophobicContact CG-CE2 4.47Å; M628-F765 HydrophobicContact CG-CZ 3.92Å
629	A	97.8	Very high	95.7	Very high	21 Å²	21	21.7 Å²	21.7	17%	0.174	11%	0.105	C	C	.	.	H	α-helix	trans	-67.2	-32.3	174.5	0	0	0	0	0	111.8	A625 S626 K633 F765	A625-A629 VanDerWaalsContact O-CB 3.3Å; A625-A629 WeakPolarHBondContact O-CB 3.43Å; A625-A629 PolarHBondContact O-N 3.09Å; S626-A629 PolarHBondContact O-N 2.77Å; A629-K633 WeakPolarHBondContact O-CB 3.45Å; A629-K633 PolarHBondContact O-N 3.34Å; A629-F765 HydrophobicContact CB-CB 3.89Å
630	Y	96.5	Very high	95.6	Very high	29 Å²	29	20.4 Å²	20.4	11%	0.114	10%	0.099	C	C	.	.	H	α-helix	trans	-67.6	-42.2	168.8	174.9	-103.3	0	0	0	111.8	L571 H572 H573 L576 S626 G627 M628 E632 K633 E634	L571-Y630 HydrophobicContact CB-CE1 4.18Å; L571-Y630 HydrophobicContact CD2-CE1 3.79Å; H572-Y630 PolarHBondContact N-OH 3.2Å; H573-Y630 HydrophobicContact CB-CD1 3.4Å; H573-Y630 HydrophobicContact CB-CD2 4.17Å; H573-Y630 HydrophobicContact CB-CE1 3.69Å; H573-Y630 HydrophobicContact CB-CE2 4.45Å; H573-Y630 HydrophobicContact CB-CG 3.64Å; H573-Y630 AromaticContact CD2-CG 3.85Å; H573-Y630 AromaticContact CG-CD1 3.91Å; H573-Y630 AromaticContact CG-CG 3.7Å; L576-Y630 HydrophobicContact CD1-CD1 3.61Å; L576-Y630 HydrophobicContact CD1-CE1 3.78Å; L576-Y630 HydrophobicContact CG-CD1 4.39Å; S626-Y630 PolarHBondContact O-N 3.21Å; G627-Y630 PolarHBondContact O-N 2.76Å; M628-Y630 VanDerWaalsContact C-N 3.3Å; M628-Y630 PolarHBondContact O-N 3.06Å; Y630-E632 PolarHBondContact O-N 2.84Å; Y630-K633 PolarHBondContact O-N 3.4Å; Y630-E634 HydrophobicContact CD1-CG 4.48Å; Y630-E634 HydrophobicContact CD2-CG 4.03Å; Y630-E634 HydrophobicContact CE1-CG 4.07Å; Y630-E634 HydrophobicContact CE2-CG 3.53Å; Y630-E634 WeakPolarHBondContact CE2-OE1 3.32Å; Y630-E634 HydrophobicContact CG-CG 4.47Å; Y630-E634 WeakPolarHBondContact O-CG 3.46Å; Y630-E634 PolarHBondContact O-N 2.77Å
631	L	95	Very high	95.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-38.7	173.9	-62.2	-176.2	0	0	0	112.9	L571 L576 G627 M628 K633 E634 H635 Y636 H638 F659	L571-L631 HydrophobicContact CD1-CD2 3.74Å; L571-L631 HydrophobicContact CD2-CD2 3.72Å; L571-L631 HydrophobicContact CG-CD2 4.32Å; L576-L631 HydrophobicContact CD1-CD2 3.73Å; L576-L631 HydrophobicContact CD1-CG 4.41Å; L576-L631 HydrophobicContact CD2-CD1 4.36Å; L576-L631 HydrophobicContact CD2-CD2 4.38Å; L576-L631 HydrophobicContact CD2-CG 4.27Å; G627-L631 PolarHBondContact O-N 2.91Å; M628-L631 HydrophobicContact CE-CD1 4.05Å; M628-L631 PolarHBondContact O-N 2.96Å; M628-L631 HydrophobicContact SD-CD1 3.78Å; L631-K633 VanDerWaalsContact C-N 3.34Å; L631-E634 PolarHBondContact O-N 3.5Å; L631-H635 PolarHBondContact O-N 2.87Å; L631-Y636 PolarHBondContact O-N 3.31Å; L631-H638 HydrophobicContact CD1-CB 4.31Å; L631-F659 HydrophobicContact CD1-CE1 4.22Å; L631-F659 HydrophobicContact CD2-CE1 4.35Å
632	E	95.1	Very high	95.5	Very high	39 Å²	39	20.4 Å²	20.4	18%	0.182	10%	0.099	C	C	.	.	H	α-helix	trans	-57.7	-45.3	172.7	179.8	171	-113.5	0	0	111.1	M628 Y630 H635 I697 T764 F765 A766	M628-E632 WeakPolarHBondContact O-CB 3.34Å; M628-E632 PolarHBondContact O-N 3.29Å; Y630-E632 PolarHBondContact O-N 2.84Å; E632-H635 PolarHBondContact O-N 2.78Å; E632-I697 HydrophobicContact CB-CD1 4.02Å; E632-I697 HydrophobicContact CB-CG1 3.84Å; E632-I697 HydrophobicContact CG-CG1 3.98Å; E632-T764 WeakPolarHBondContact OE1-CA 3.22Å; E632-T764 WeakPolarHBondContact OE1-CB 3.29Å; E632-F765 HydrophobicContact CB-CB 4.5Å; E632-F765 HydrophobicContact CB-CD2 4.48Å; E632-F765 VanDerWaalsContact CD-N 3.35Å; E632-F765 PolarHBondContact OE1-N 3.13Å; E632-F765 WeakPolarHBondContact OE2-CA 3.17Å; E632-F765 WeakPolarHBondContact OE2-CB 3.5Å; E632-F765 PolarHBondContact OE2-N 2.88Å; E632-A766 PolarHBondContact OE2-N 3.05Å; E632-A766 VanDerWaalsContact OE2-N 3.1Å
633	K	94.8	Very high	95.6	Very high	103 Å²	103	20.4 Å²	20.4	45%	0.448	10%	0.099	S	C	.	.	H	α-helix	trans	-67.4	-40	177.9	-179.8	178.1	176.2	179	0	113.7	G287 A629 Y630 L631 H635	G287-K633 PolarHBondContact O-NZ 3.04Å; A629-K633 WeakPolarHBondContact O-CB 3.45Å; A629-K633 PolarHBondContact O-N 3.34Å; Y630-K633 PolarHBondContact O-N 3.4Å; L631-K633 VanDerWaalsContact C-N 3.34Å; K633-H635 VanDerWaalsContact C-N 3.25Å; K633-H635 PolarHBondContact O-N 2.95Å
634	E	92.6	Very high	95.5	Very high	69 Å²	69	22.2 Å²	22.2	32%	0.322	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8	179.9	-57.3	-64.1	144.6	0	0	113	L571 Y630 L631 Y636	L571-E634 HydrophobicContact CD2-CB 4.37Å; Y630-E634 HydrophobicContact CD1-CG 4.48Å; Y630-E634 HydrophobicContact CD2-CG 4.03Å; Y630-E634 HydrophobicContact CE1-CG 4.07Å; Y630-E634 HydrophobicContact CE2-CG 3.53Å; Y630-E634 WeakPolarHBondContact CE2-OE1 3.32Å; Y630-E634 HydrophobicContact CG-CG 4.47Å; Y630-E634 WeakPolarHBondContact O-CG 3.46Å; Y630-E634 PolarHBondContact O-N 2.77Å; L631-E634 PolarHBondContact O-N 3.5Å; E634-Y636 HydrophobicContact CB-CD2 3.78Å; E634-Y636 HydrophobicContact CB-CE2 4.06Å; E634-Y636 WeakPolarHBondContact O-CD2 3.27Å; E634-Y636 WeakPolarHBondContact O-CE2 3.45Å
635	H	90.9	Very high	95.3	Very high	93 Å²	93	22.8 Å²	22.8	43%	0.431	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	39.9	-179.6	-51.5	-61.7	0	0	0	115.4	L631 E632 K633 I665	L631-H635 PolarHBondContact O-N 2.87Å; E632-H635 PolarHBondContact O-N 2.78Å; K633-H635 VanDerWaalsContact C-N 3.25Å; K633-H635 PolarHBondContact O-N 2.95Å; H635-I665 HydrophobicContact CB-CB 4.42Å; H635-I665 WeakPolarHBondContact O-CB 3.4Å; H635-I665 PolarHBondContact O-N 3.49Å
636	Y	91	Very high	95.3	Very high	12 Å²	12	22.8 Å²	22.8	5%	0.047	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.3	173.9	-78.8	-99.8	0	0	0	112.4	I567 Q570 L571 L631 E634 I664	I567-Y636 HydrophobicContact CB-CE1 4.36Å; I567-Y636 HydrophobicContact CG1-CE1 4.19Å; I567-Y636 HydrophobicContact CG2-CD1 4.08Å; I567-Y636 HydrophobicContact CG2-CE1 3.69Å; Q570-Y636 WeakPolarHBondContact CB-OH 3.5Å; Q570-Y636 PolarHBondContact OE1-OH 3.3Å; L571-Y636 HydrophobicContact CD1-CD1 4.2Å; L571-Y636 HydrophobicContact CD1-CE1 4.2Å; L571-Y636 HydrophobicContact CD1-CG 4.48Å; L571-Y636 HydrophobicContact CD2-CD2 3.7Å; L571-Y636 HydrophobicContact CD2-CE1 4.45Å; L571-Y636 HydrophobicContact CD2-CE2 3.63Å; L571-Y636 HydrophobicContact CD2-CG 4.15Å; L571-Y636 HydrophobicContact CG-CE1 4.44Å; L571-Y636 HydrophobicContact CG-CE2 4.35Å; L631-Y636 PolarHBondContact O-N 3.31Å; E634-Y636 HydrophobicContact CB-CD2 3.78Å; E634-Y636 HydrophobicContact CB-CE2 4.06Å; E634-Y636 WeakPolarHBondContact O-CD2 3.27Å; E634-Y636 WeakPolarHBondContact O-CE2 3.45Å; Y636-I664 HydrophobicContact CD1-CG1 4.19Å; Y636-I664 HydrophobicContact CE1-CB 4.46Å; Y636-I664 HydrophobicContact CE1-CD1 4.38Å; Y636-I664 HydrophobicContact CE1-CG1 3.4Å; Y636-I664 VanDerWaalsContact CE1-CG1 3.4Å; Y636-I664 HydrophobicContact CE2-CG1 4.41Å
637	I	92.4	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.8	163.7	-39.2	164.6	0	0	0	108.3	R639 A662 R663 I665 F695 T696 D700	I637-R639 HydrophobicContact CB-CG 3.74Å; I637-R639 HydrophobicContact CG2-CG 3.41Å; I637-R639 VanDerWaalsContact CG2-CG 3.41Å; I637-A662 WeakPolarHBondContact O-CA 3.42Å; I637-A662 WeakPolarHBondContact O-CB 3.31Å; I637-R663 PolarHBondContact N-O 3.49Å; I637-R663 PolarHBondContact O-N 3.3Å; I637-I665 HydrophobicContact CD1-CD1 3.82Å; I637-I665 HydrophobicContact CD1-CG1 3.78Å; I637-I665 HydrophobicContact CG1-CD1 3.46Å; I637-I665 VanDerWaalsContact CG1-CD1 3.46Å; I637-I665 HydrophobicContact CG1-CG1 3.73Å; I637-F695 HydrophobicContact CD1-CB 4.17Å; I637-F695 WeakPolarHBondContact CD1-O 3.29Å; I637-F695 HydrophobicContact CG2-CB 4.37Å; I637-T696 WeakPolarHBondContact CG2-O 3.11Å; I637-D700 WeakPolarHBondContact CA-OD2 3.27Å; I637-D700 WeakPolarHBondContact CG2-OD2 3.41Å
638	H	93.2	Very high	95.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	11%	0.11	C	C	.	.			trans	-73.5	-43.8	176.8	-163.8	-95.4	0	0	0	111.7	M628 L631 D640 L641 V656 A657 F659 D700	M628-H638 HydrophobicContact CE-CB 4.01Å; M628-H638 HydrophobicContact SD-CB 4.38Å; L631-H638 HydrophobicContact CD1-CB 4.31Å; H638-D640 PolarHBondContact CE1-O 2.76Å; H638-D640 VanDerWaalsContact CE1-O 3.26Å; H638-D640 VanDerWaalsContact ND1-C 3.27Å; H638-D640 PolarHBondContact ND1-O 3.47Å; H638-D640 VanDerWaalsContact ND1-O 3.16Å; H638-D640 PolarHBondContact O-N 3.24Å; H638-L641 PolarHBondContact ND1-N 3.4Å; H638-V656 WeakPolarHBondContact NE2-CG1 3.49Å; H638-A657 PolarHBondContact CE1-O 2.94Å; H638-A657 VanDerWaalsContact CE1-O 3.26Å; H638-A657 PolarHBondContact NE2-O 3.04Å; H638-A657 VanDerWaalsContact NE2-O 3.13Å; H638-F659 AromaticContact CD2-CD1 3.83Å; H638-F659 AromaticContact CD2-CE1 3.9Å; H638-F659 AromaticContact NE2-CD1 3.97Å; H638-D700 PolarHBondContact N-OD2 2.89Å
639	R	93.1	Very high	95.1	Very high	15 Å²	15	24 Å²	24	6%	0.057	11%	0.114	C	C	.	.	S	Bend	trans	67.5	-9.1	175	-53.3	-178.7	56.7	-107	-10.2	116.7	I637 L661 F695 D700	I637-R639 HydrophobicContact CB-CG 3.74Å; I637-R639 HydrophobicContact CG2-CG 3.41Å; I637-R639 VanDerWaalsContact CG2-CG 3.41Å; R639-L661 HydrophobicContact CB-CB 4.5Å; R639-L661 WeakPolarHBondContact CD-O 3.38Å; R639-L661 PolarHBondContact NH1-O 3.07Å; R639-F695 HydrophobicContact CB-CD1 3.79Å; R639-F695 HydrophobicContact CB-CE1 4.09Å; R639-F695 HydrophobicContact CG-CB 4.09Å; R639-F695 HydrophobicContact CG-CD1 3.71Å; R639-F695 HydrophobicContact CG-CE1 4.47Å; R639-F695 HydrophobicContact CG-CG 4.06Å; R639-F695 VanDerWaalsContact NH2-CZ 3.33Å; R639-D700 WeakPolarHBondContact CA-OD1 3.42Å; R639-D700 PolarHBondContact N-OD1 3.19Å
640	D	92.8	Very high	94.8	Very high	14 Å²	14	28.1 Å²	28.1	8%	0.075	13%	0.13	C	C	.	.			trans	-144.7	64.7	167.5	-171.6	17.3	0	0	0	111.9	H638 R644 N645 L661 P681	H638-D640 PolarHBondContact CE1-O 2.76Å; H638-D640 VanDerWaalsContact CE1-O 3.26Å; H638-D640 VanDerWaalsContact ND1-C 3.27Å; H638-D640 PolarHBondContact ND1-O 3.47Å; H638-D640 VanDerWaalsContact ND1-O 3.16Å; H638-D640 PolarHBondContact O-N 3.24Å; D640-R644 IonicContact OD1-CZ 3.23Å; D640-R644 IonicContact OD1-NH2 2.68Å; D640-R644 PolarHBondContact OD1-NH2 2.72Å; D640-R644 IonicContact OD2-CZ 2.76Å; D640-R644 IonicContact OD2-NH2 3.17Å; D640-R644 PolarHBondContact OD2-NH2 3.18Å; D640-N645 PolarHBondContact O-ND2 2.91Å; D640-N645 PolarHBondContact OD2-ND2 2.89Å; D640-L661 HydrophobicContact CB-CD1 3.76Å; D640-P681 VanDerWaalsContact OD1-CG 3.24Å; D640-P681 WeakPolarHBondContact OD1-CG 3.37Å
641	L	97.4	Very high	94.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.			trans	-84.2	114.9	175.1	-178.6	64.2	0	0	0	110.1	I624 M628 H638 I646 V656 S703 F704 V707 F765	I624-L641 HydrophobicContact CG2-CD1 4.43Å; M628-L641 HydrophobicContact CE-CD2 4.06Å; M628-L641 HydrophobicContact CG-CD1 4.39Å; M628-L641 HydrophobicContact CG-CD2 3.86Å; M628-L641 HydrophobicContact SD-CD1 3.91Å; M628-L641 HydrophobicContact SD-CD2 3.81Å; M628-L641 HydrophobicContact SD-CG 4.41Å; H638-L641 PolarHBondContact ND1-N 3.4Å; L641-I646 HydrophobicContact CD1-CD1 3.84Å; L641-V656 HydrophobicContact CD1-CG1 4.11Å; L641-S703 WeakPolarHBondContact O-CB 3.24Å; L641-F704 HydrophobicContact CD2-CB 3.73Å; L641-F704 HydrophobicContact CD2-CD2 4.33Å; L641-F704 HydrophobicContact CD2-CG 4.48Å; L641-V707 HydrophobicContact CG-CG2 4.24Å; L641-F765 HydrophobicContact CD2-CZ 4.2Å
642	A	97.4	Very high	94.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.			trans	-156	156	-177.4	0	0	0	0	0	110	R644 N645 I646 W684 V707	A642-R644 HydrophobicContact CB-CG 3.87Å; A642-R644 VanDerWaalsContact CB-NH1 3.25Å; A642-R644 PolarHBondContact O-N 3.44Å; A642-N645 CarbonylContact O-C 3.53Å; A642-N645 WeakPolarHBondContact O-CA 3.19Å; A642-N645 PolarHBondContact O-N 3.29Å; A642-I646 PolarHBondContact O-N 3.25Å; A642-W684 VanDerWaalsContact CB-CD1 3.49Å; A642-W684 HydrophobicContact CB-CD2 4.33Å; A642-W684 HydrophobicContact CB-CG 4.05Å; A642-V707 VanDerWaalsContact CA-CG2 3.5Å
643	A	98.2	Very high	94.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.9	-178.7	0	0	0	0	0	113.7	L600 L601 N645 E710	L600-A643 WeakPolarHBondContact CB-O 3.36Å; L600-A643 PolarHBondContact N-O 3.43Å; L601-A643 HydrophobicContact CB-CB 4.17Å; L601-A643 PolarHBondContact N-O 3.45Å; A643-N645 VanDerWaalsContact C-N 3.33Å; A643-E710 HydrophobicContact CB-CB 3.91Å; A643-E710 VanDerWaalsContact CB-CD 3.46Å; A643-E710 HydrophobicContact CB-CG 4.31Å; A643-E710 WeakPolarHBondContact CB-OE2 3.39Å; A643-E710 PolarHBondContact N-OE2 2.89Å
644	R	95.5	Very high	94.4	Very high	42 Å²	42	28.8 Å²	28.8	16%	0.158	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.7	169.9	60.4	169.7	-164.1	-74.1	-4.5	114.1	S599 L601 D640 A642	S599-R644 VanDerWaalsContact CB-O 3.24Å; S599-R644 WeakPolarHBondContact CB-O 3.31Å; L601-R644 HydrophobicContact CB-CB 4.3Å; L601-R644 HydrophobicContact CD2-CB 3.93Å; D640-R644 IonicContact OD1-CZ 3.23Å; D640-R644 IonicContact OD1-NH2 2.68Å; D640-R644 PolarHBondContact OD1-NH2 2.72Å; D640-R644 IonicContact OD2-CZ 2.76Å; D640-R644 IonicContact OD2-NH2 3.17Å; D640-R644 PolarHBondContact OD2-NH2 3.18Å; A642-R644 HydrophobicContact CB-CG 3.87Å; A642-R644 VanDerWaalsContact CB-NH1 3.25Å; A642-R644 PolarHBondContact O-N 3.44Å
645	N	96.1	Very high	94.7	Very high	13 Å²	13	27 Å²	27	7%	0.07	14%	0.135	C	C	.	.	S	Bend	trans	-103.7	6.2	-179.3	-63.9	-2.5	0	0	0	111.7	D640 A642 A643 A657 D658	D640-N645 PolarHBondContact O-ND2 2.91Å; D640-N645 PolarHBondContact OD2-ND2 2.89Å; A642-N645 CarbonylContact O-C 3.53Å; A642-N645 WeakPolarHBondContact O-CA 3.19Å; A642-N645 PolarHBondContact O-N 3.29Å; A643-N645 VanDerWaalsContact C-N 3.33Å; N645-A657 WeakPolarHBondContact O-CA 3.48Å; N645-A657 WeakPolarHBondContact O-CB 3.48Å; N645-A657 PolarHBondContact O-N 2.98Å; N645-D658 HydrophobicContact CB-CB 4.41Å
646	I	98.3	Very high	95	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.7	162.4	-54.1	-54.9	0	0	0	107.5	S599 L600 I624 L641 A642 V654 K655 V656	S599-I646 CarbonylContact C-O 3.57Å; S599-I646 VanDerWaalsContact CA-O 3.28Å; S599-I646 WeakPolarHBondContact CA-O 3.44Å; L600-I646 HydrophobicContact CB-CB 3.92Å; L600-I646 HydrophobicContact CB-CG2 4.04Å; L600-I646 HydrophobicContact CD2-CB 4.11Å; L600-I646 HydrophobicContact CD2-CG2 3.89Å; L600-I646 PolarHBondContact N-O 3.25Å; I624-I646 HydrophobicContact CD1-CD1 4.38Å; I624-I646 HydrophobicContact CD1-CG1 3.99Å; I624-I646 HydrophobicContact CD1-CG2 4.04Å; I624-I646 HydrophobicContact CG1-CD1 4.09Å; I624-I646 HydrophobicContact CG1-CG1 4.21Å; I624-I646 HydrophobicContact CG1-CG2 4.02Å; I624-I646 HydrophobicContact CG2-CD1 3.98Å; L641-I646 HydrophobicContact CD1-CD1 3.84Å; A642-I646 PolarHBondContact O-N 3.25Å; I646-V654 HydrophobicContact CG2-CB 3.83Å; I646-V654 HydrophobicContact CG2-CG1 4.35Å; I646-K655 WeakPolarHBondContact CA-O 3.12Å; I646-V656 HydrophobicContact CD1-CB 4.16Å; I646-V656 HydrophobicContact CD1-CG1 4.13Å; I646-V656 HydrophobicContact CD1-CG2 3.88Å
647	L	97.9	Very high	95.1	Very high	43 Å²	43	22.3 Å²	22.3	23%	0.225	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	149.3	175.3	-58.2	-171.3	0	0	0	111.6	V577 M595 G598 V654 K655 A657	V577-L647 HydrophobicContact CG2-CB 4.42Å; V577-L647 HydrophobicContact CG2-CD1 4.07Å; V577-L647 HydrophobicContact CG2-CG 4.42Å; M595-L647 HydrophobicContact CB-CB 3.62Å; M595-L647 HydrophobicContact CB-CD1 3.96Å; M595-L647 HydrophobicContact CB-CG 4.42Å; M595-L647 HydrophobicContact CE-CB 4.07Å; M595-L647 VanDerWaalsContact CE-O 3.28Å; M595-L647 WeakPolarHBondContact CE-O 3.32Å; M595-L647 HydrophobicContact CG-CB 3.68Å; M595-L647 HydrophobicContact CG-CD1 3.92Å; M595-L647 HydrophobicContact CG-CG 4.47Å; G598-L647 CarbonylContact O-C 3.6Å; G598-L647 VanDerWaalsContact O-CA 3.31Å; G598-L647 WeakPolarHBondContact O-CA 3.35Å; L647-V654 WeakPolarHBondContact O-CA 3.38Å; L647-K655 PolarHBondContact N-O 3.22Å; L647-K655 PolarHBondContact O-N 2.64Å; L647-A657 HydrophobicContact CD1-CB 4.07Å; L647-A657 HydrophobicContact CG-CB 3.86Å
648	V	97.8	Very high	94.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.8	-176.4	-167.2	0	0	0	0	110	M595 N597 G598 L600 Y603 V654	M595-V648 CarbonylContact C-O 3.29Å; N597-V648 WeakPolarHBondContact CA-O 2.97Å; N597-V648 HydrophobicContact CB-CB 3.77Å; N597-V648 HydrophobicContact CB-CG1 3.89Å; N597-V648 WeakPolarHBondContact CB-O 3.38Å; N597-V648 PolarHBondContact N-O 3.22Å; G598-V648 PolarHBondContact O-N 3.46Å; L600-V648 HydrophobicContact CB-CG2 3.87Å; L600-V648 HydrophobicContact CD1-CG2 3.88Å; Y603-V648 HydrophobicContact CD1-CG1 4.13Å; Y603-V648 HydrophobicContact CD1-CG2 4.2Å; Y603-V648 HydrophobicContact CD2-CB 4.49Å; Y603-V648 HydrophobicContact CD2-CG1 4.21Å; Y603-V648 HydrophobicContact CE1-CG1 4.17Å; Y603-V648 HydrophobicContact CE2-CG1 4.24Å; Y603-V648 HydrophobicContact CG-CB 4.33Å; Y603-V648 HydrophobicContact CG-CG1 4.15Å; Y603-V648 HydrophobicContact CG-CG2 3.99Å; V648-V654 HydrophobicContact CG1-CG1 4.38Å; V648-V654 HydrophobicContact CG2-CG1 4.17Å
649	G	93.8	Very high	94.1	Very high	8 Å²	8	25.3 Å²	25.3	8%	0.082	13%	0.131	C	C	.	.			trans	-97.6	-153.7	173.9	0	0	0	0	0	111.3	M595 N597 S653	M595-G649 VanDerWaalsContact CE-N 3.32Å; N597-G649 PolarHBondContact ND2-O 3.18Å; G649-S653 PolarHBondContact N-O 2.85Å
650	E	90.2	Very high	92.7	Very high	108 Å²	108	25.5 Å²	25.5	51%	0.505	14%	0.138	S	C	.	.	S	Bend	trans	-73.9	159.3	173.2	-67.1	173.8	-172.7	0	0	111.5	K596 N652 S653	K596-E650 HydrophobicContact CD-CG 4.39Å; K596-E650 WeakPolarHBondContact CD-OE1 3.26Å; K596-E650 WeakPolarHBondContact CE-OE1 3.44Å; K596-E650 IonicContact NZ-OE1 2.82Å; K596-E650 PolarHBondContact NZ-OE1 3.24Å; E650-N652 VanDerWaalsContact C-N 3.3Å; E650-N652 PolarHBondContact O-N 3.16Å; E650-S653 WeakPolarHBondContact O-CB 3.46Å; E650-S653 PolarHBondContact O-N 2.89Å
651	N	89.2	Confident	91.3	Very high	118 Å²	118	27.7 Å²	27.7	63%	0.631	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.9	173.1	-61.1	-40.4	0	0	0	115.5	L414 S653	L414-N651 HydrophobicContact CD2-CB 3.75Å; N651-S653 PolarHBondContact O-N 2.87Å; N651-S653 VanDerWaalsContact O-N 3.16Å
652	N	93.2	Very high	89.9	Confident	34 Å²	34	27.7 Å²	27.7	18%	0.182	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	20	-174.9	-65.7	-28.6	0	0	0	114.7	Y603 M620 Q623 E650 V654	Y603-N652 PolarHBondContact OH-OD1 3.39Å; M620-N652 HydrophobicContact CE-CB 3.64Å; Q623-N652 PolarHBondContact NE2-O 2.7Å; Q623-N652 VanDerWaalsContact NE2-O 3.13Å; E650-N652 VanDerWaalsContact C-N 3.3Å; E650-N652 PolarHBondContact O-N 3.16Å; N652-V654 PolarHBondContact O-N 2.93Å
653	S	94	Very high	88.7	Confident	35 Å²	35	30.4 Å²	30.4	25%	0.245	16%	0.16	C	C	.	.			trans	-68.5	125.4	172.1	-169.3	0	0	0	0	109.9	R575 G649 E650 N651	R575-S653 PolarHBondContact NH1-OG 2.82Å; R575-S653 VanDerWaalsContact NH1-OG 3.09Å; G649-S653 PolarHBondContact N-O 2.85Å; E650-S653 WeakPolarHBondContact O-CB 3.46Å; E650-S653 PolarHBondContact O-N 2.89Å; N651-S653 PolarHBondContact O-N 2.87Å; N651-S653 VanDerWaalsContact O-N 3.16Å
654	V	98	Very high	87.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.1	-179.4	-64.7	0	0	0	0	112	L600 M620 Q623 I624 I646 L647 V648 N652	L600-V654 HydrophobicContact CD1-CG1 4.46Å; M620-V654 HydrophobicContact CB-CG1 4.45Å; M620-V654 HydrophobicContact CB-CG2 4.2Å; M620-V654 HydrophobicContact CE-CG1 4.42Å; M620-V654 HydrophobicContact CG-CG1 3.94Å; M620-V654 HydrophobicContact CG-CG2 4.36Å; M620-V654 HydrophobicContact SD-CG1 4.26Å; Q623-V654 HydrophobicContact CB-CG2 3.47Å; Q623-V654 VanDerWaalsContact CB-CG2 3.47Å; Q623-V654 HydrophobicContact CG-CG2 4.33Å; I624-V654 HydrophobicContact CD1-CG2 4.41Å; I624-V654 HydrophobicContact CG1-CG2 3.89Å; I646-V654 HydrophobicContact CG2-CB 3.83Å; I646-V654 HydrophobicContact CG2-CG1 4.35Å; L647-V654 WeakPolarHBondContact O-CA 3.38Å; V648-V654 HydrophobicContact CG1-CG1 4.38Å; V648-V654 HydrophobicContact CG2-CG1 4.17Å; N652-V654 PolarHBondContact O-N 2.93Å
655	K	98	Very high	86.2	Confident	30 Å²	30	33.7 Å²	33.7	13%	0.13	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.9	-179.8	-58.7	-176	172.4	-168.7	0	112	P574 R575 V577 E593 M595 I646 L647	P574-K655 WeakPolarHBondContact O-CE 3.48Å; R575-K655 CarbonylContact O-C 3.59Å; R575-K655 VanDerWaalsContact O-CA 3.3Å; R575-K655 WeakPolarHBondContact O-CA 3.47Å; V577-K655 HydrophobicContact CG2-CB 3.75Å; V577-K655 HydrophobicContact CG2-CD 4.47Å; E593-K655 WeakPolarHBondContact OE1-CD 3.42Å; E593-K655 IonicContact OE1-NZ 2.77Å; E593-K655 PolarHBondContact OE1-NZ 2.8Å; E593-K655 IonicContact OE2-NZ 3.43Å; E593-K655 PolarHBondContact OE2-NZ 3.49Å; M595-K655 HydrophobicContact CE-CB 3.89Å; M595-K655 HydrophobicContact CE-CD 3.81Å; M595-K655 HydrophobicContact CE-CG 3.68Å; M595-K655 HydrophobicContact SD-CD 3.87Å; M595-K655 HydrophobicContact SD-CG 4.42Å; I646-K655 WeakPolarHBondContact CA-O 3.12Å; L647-K655 PolarHBondContact N-O 3.22Å; L647-K655 PolarHBondContact O-N 2.64Å
656	V	97.8	Very high	84.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.7	174.3	-168.7	0	0	0	0	110.4	R575 L576 V577 I624 M628 H638 L641 I646	R575-V656 PolarHBondContact O-N 3.32Å; L576-V656 HydrophobicContact CD2-CB 3.73Å; L576-V656 HydrophobicContact CD2-CG2 4.07Å; V577-V656 PolarHBondContact N-O 2.94Å; I624-V656 HydrophobicContact CG2-CG2 4.41Å; M628-V656 HydrophobicContact SD-CG1 4.24Å; M628-V656 HydrophobicContact SD-CG2 4.36Å; H638-V656 WeakPolarHBondContact NE2-CG1 3.49Å; L641-V656 HydrophobicContact CD1-CG1 4.11Å; I646-V656 HydrophobicContact CD1-CB 4.16Å; I646-V656 HydrophobicContact CD1-CG1 4.13Å; I646-V656 HydrophobicContact CD1-CG2 3.88Å
657	A	93.8	Very high	82.8	Confident	8 Å²	8	43.6 Å²	43.6	7%	0.066	24%	0.24	C	C	.	.			trans	-146.2	176.2	-172.6	0	0	0	0	0	113.2	V577 H638 N645 L647	V577-A657 HydrophobicContact CB-CB 4.15Å; V577-A657 HydrophobicContact CG2-CB 3.66Å; H638-A657 PolarHBondContact CE1-O 2.94Å; H638-A657 VanDerWaalsContact CE1-O 3.26Å; H638-A657 PolarHBondContact NE2-O 3.04Å; H638-A657 VanDerWaalsContact NE2-O 3.13Å; N645-A657 WeakPolarHBondContact O-CA 3.48Å; N645-A657 WeakPolarHBondContact O-CB 3.48Å; N645-A657 PolarHBondContact O-N 2.98Å; L647-A657 HydrophobicContact CD1-CB 4.07Å; L647-A657 HydrophobicContact CG-CB 3.86Å
658	D	84.6	Confident	80.7	Confident	60 Å²	60	44.9 Å²	44.9	32%	0.321	26%	0.264	S	S	.	.			trans	63.5	53.6	-179.8	-156.1	16.5	0	0	0	114.9	K549 N645 G660	K549-D658 IonicContact NZ-OD1 3.22Å; K549-D658 PolarHBondContact NZ-OD1 2.92Å; N645-D658 HydrophobicContact CB-CB 4.41Å; D658-G660 PolarHBondContact O-N 3.33Å
659	F	78	Confident	79	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.013	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-65.7	9.3	175.4	-53.2	-84.8	0	0	0	114.4	E564 I567 M568 L571 L576 L631 H638 L661 A662	E564-F659 HydrophobicContact CG-CB 4.27Å; I567-F659 HydrophobicContact CG2-CB 3.97Å; I567-F659 HydrophobicContact CG2-CD1 4.43Å; I567-F659 HydrophobicContact CG2-CG 4.34Å; M568-F659 HydrophobicContact CE-CD2 4.16Å; M568-F659 HydrophobicContact CE-CE2 4.19Å; M568-F659 HydrophobicContact CG-CB 4.41Å; M568-F659 HydrophobicContact CG-CD2 3.5Å; M568-F659 HydrophobicContact CG-CE2 4.09Å; M568-F659 HydrophobicContact CG-CG 4.2Å; M568-F659 HydrophobicContact SD-CD2 3.97Å; L571-F659 HydrophobicContact CD1-CD1 4.17Å; L571-F659 HydrophobicContact CD1-CE1 4.06Å; L576-F659 HydrophobicContact CB-CZ 4.16Å; L576-F659 HydrophobicContact CD1-CZ 4.25Å; L576-F659 HydrophobicContact CD2-CE1 4.36Å; L576-F659 HydrophobicContact CD2-CZ 4.07Å; L576-F659 HydrophobicContact CG-CZ 4.39Å; L631-F659 HydrophobicContact CD1-CE1 4.22Å; L631-F659 HydrophobicContact CD2-CE1 4.35Å; H638-F659 AromaticContact CD2-CD1 3.83Å; H638-F659 AromaticContact CD2-CE1 3.9Å; H638-F659 AromaticContact NE2-CD1 3.97Å; F659-L661 PolarHBondContact O-N 2.91Å; F659-A662 HydrophobicContact CB-CB 4.02Å; F659-A662 HydrophobicContact CD1-CB 4.45Å; F659-A662 VanDerWaalsContact O-CB 3.24Å; F659-A662 WeakPolarHBondContact O-CB 3.41Å; F659-A662 PolarHBondContact O-N 3.1Å
660	G	63.6	Low	77.8	Confident	19 Å²	19	57.2 Å²	57.2	20%	0.196	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-60.5	-25.8	-178.4	0	0	0	0	0	114	D658	D658-G660 PolarHBondContact O-N 3.33Å
661	L	64.5	Low	76.7	Confident	60 Å²	60	54.8 Å²	54.8	31%	0.314	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-94.4	-9.9	172.8	-70	174.5	0	0	0	114	R639 D640 F659	R639-L661 HydrophobicContact CB-CB 4.5Å; R639-L661 WeakPolarHBondContact CD-O 3.38Å; R639-L661 PolarHBondContact NH1-O 3.07Å; D640-L661 HydrophobicContact CB-CD1 3.76Å; F659-L661 PolarHBondContact O-N 2.91Å
662	A	67	Low	76	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	30%	0.297	C	S	.	.			trans	-65.7	159.1	-172.5	0	0	0	0	0	113.3	I567 I637 F659	I567-A662 HydrophobicContact CD1-CB 3.98Å; I567-A662 WeakPolarHBondContact CD1-O 3.37Å; I567-A662 HydrophobicContact CG2-CB 4.44Å; I637-A662 WeakPolarHBondContact O-CA 3.42Å; I637-A662 WeakPolarHBondContact O-CB 3.31Å; F659-A662 HydrophobicContact CB-CB 4.02Å; F659-A662 HydrophobicContact CD1-CB 4.45Å; F659-A662 VanDerWaalsContact O-CB 3.24Å; F659-A662 WeakPolarHBondContact O-CB 3.41Å; F659-A662 PolarHBondContact O-N 3.1Å
663	R	73.2	Confident	75.1	Confident	57 Å²	57	55.2 Å²	55.2	22%	0.215	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	134.2	179.6	-63.5	-69.7	130	142.7	-1.9	110.2	I637 Y672	I637-R663 PolarHBondContact N-O 3.49Å; I637-R663 PolarHBondContact O-N 3.3Å; R663-Y672 HydrophobicContact CB-CD2 4.42Å; R663-Y672 HydrophobicContact CG-CD1 4.28Å; R663-Y672 HydrophobicContact CG-CD2 3.99Å; R663-Y672 HydrophobicContact CG-CE1 4.23Å; R663-Y672 HydrophobicContact CG-CE2 3.94Å; R663-Y672 HydrophobicContact CG-CG 4.16Å
664	I	70.5	Confident	74	Confident	84 Å²	84	54.3 Å²	54.3	43%	0.431	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139.7	159.3	-60.6	164.5	0	0	0	107.5	Y636	Y636-I664 HydrophobicContact CD1-CG1 4.19Å; Y636-I664 HydrophobicContact CE1-CB 4.46Å; Y636-I664 HydrophobicContact CE1-CD1 4.38Å; Y636-I664 HydrophobicContact CE1-CG1 3.4Å; Y636-I664 VanDerWaalsContact CE1-CG1 3.4Å; Y636-I664 HydrophobicContact CE2-CG1 4.41Å
665	I	70.1	Confident	72.7	Confident	26 Å²	26	63 Å²	63	13%	0.133	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-101.6	133.7	165.9	-58.6	162	0	0	0	108.9	H635 I637 N669	H635-I665 HydrophobicContact CB-CB 4.42Å; H635-I665 WeakPolarHBondContact O-CB 3.4Å; H635-I665 PolarHBondContact O-N 3.49Å; I637-I665 HydrophobicContact CD1-CD1 3.82Å; I637-I665 HydrophobicContact CD1-CG1 3.78Å; I637-I665 HydrophobicContact CG1-CD1 3.46Å; I637-I665 VanDerWaalsContact CG1-CD1 3.46Å; I637-I665 HydrophobicContact CG1-CG1 3.73Å; I665-N669 WeakPolarHBondContact CG2-O 3.43Å
666	D	62.6	Low	71.1	Confident	123 Å²	123	71.2 Å²	71.2	66%	0.658	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-69.3	128.8	164.6	-61.5	-49.6	0	0	0	108.8	G668 N669	D666-G668 PolarHBondContact O-N 3.41Å; D666-N669 PolarHBondContact O-N 3.43Å
667	S	60.2	Low	69.5	Low	98 Å²	98	75.1 Å²	75.1	69%	0.685	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-5.8	-170.4	-51	0	0	0	0	116.8
668	G	55.6	Low	68	Low	71 Å²	71	77 Å²	77	73%	0.732	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-4.2	171.7	0	0	0	0	0	115.8	D666	D666-G668 PolarHBondContact O-N 3.41Å
669	N	60.9	Low	67.4	Low	109 Å²	109	83.5 Å²	83.5	58%	0.583	47%	0.47	S	S	*	.			trans	-135.3	76.2	-172.5	-80.3	-39.8	0	0	0	111.6	I665 D666 T671	I665-N669 WeakPolarHBondContact CG2-O 3.43Å; D666-N669 PolarHBondContact O-N 3.43Å; N669-T671 PolarHBondContact O-N 3.43Å
670	E	68.3	Low	67.3	Low	158 Å²	158	85.2 Å²	85.2	74%	0.738	48%	0.477	S	S	*	.			trans	-55.7	3.5	-173.4	-57.8	-174.9	158.6	0	0	117.8
671	T	68.3	Low	68.6	Low	56 Å²	56	85.6 Å²	85.6	34%	0.344	48%	0.476	S	S	.	.			trans	-134.6	134.6	-169.3	66.5	0	0	0	0	112.2	N669 R694 T696	N669-T671 PolarHBondContact O-N 3.43Å; T671-R694 HydrophobicContact CG2-CG 4.33Å; T671-T696 HydrophobicContact CG2-CG2 3.88Å
672	Y	73.5	Confident	69.9	Low	64 Å²	64	84.5 Å²	84.5	25%	0.251	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116	169.8	173.1	-93.6	0	0	0	110.3	R663 A674 G693 F695	R663-Y672 HydrophobicContact CB-CD2 4.42Å; R663-Y672 HydrophobicContact CG-CD1 4.28Å; R663-Y672 HydrophobicContact CG-CD2 3.99Å; R663-Y672 HydrophobicContact CG-CE1 4.23Å; R663-Y672 HydrophobicContact CG-CE2 3.94Å; R663-Y672 HydrophobicContact CG-CG 4.16Å; Y672-A674 HydrophobicContact CE1-CB 4.07Å; Y672-G693 VanDerWaalsContact O-O 3.09Å; Y672-F695 HydrophobicContact CD1-CB 4.24Å; Y672-F695 HydrophobicContact CD1-CD2 4.16Å; Y672-F695 PolarHBondContact N-O 2.8Å; Y672-F695 PolarHBondContact O-N 3.08Å
673	T	75.5	Confident	71.4	Confident	98 Å²	98	84.9 Å²	84.9	60%	0.601	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.4	172.8	-53.3	0	0	0	0	110.4	G693	T673-G693 CarbonylContact C-O 3.53Å; T673-G693 WeakPolarHBondContact CA-O 3.45Å
674	A	71	Confident	72.5	Confident	16 Å²	16	83.5 Å²	83.5	13%	0.132	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-73.7	153.8	175.8	0	0	0	0	0	112.7	Y672 F680 G693 F695	Y672-A674 HydrophobicContact CE1-CB 4.07Å; A674-F680 HydrophobicContact CB-CE2 4.45Å; A674-F680 HydrophobicContact CB-CZ 3.77Å; A674-G693 PolarHBondContact N-O 2.88Å; A674-F695 HydrophobicContact CB-CD2 4.16Å; A674-F695 HydrophobicContact CB-CE2 3.8Å
675	K	70.8	Confident	73.7	Confident	183 Å²	183	80 Å²	80	80%	0.796	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-66.8	142.3	171.4	-63.1	-176.2	-179.9	-179.2	0	110.3	A678	K675-A678 WeakPolarHBondContact O-CB 3.31Å; K675-A678 PolarHBondContact O-N 3.4Å
676	Q	64.4	Low	75	Confident	202 Å²	202	78.9 Å²	78.9	94%	0.944	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	145	173.1	-69.2	179.2	-16.2	0	0	111.5	A678	Q676-A678 VanDerWaalsContact C-N 3.3Å; Q676-A678 PolarHBondContact O-N 3.1Å
677	G	62.2	Low	76.6	Confident	81 Å²	81	73.7 Å²	73.7	84%	0.835	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	0.3	179.7	0	0	0	0	0	115.8
678	A	63.7	Low	78.2	Confident	49 Å²	49	70 Å²	70	41%	0.405	39%	0.388	S	S	.	.			trans	-64.3	139.1	171	0	0	0	0	0	111.5	K675 Q676 F680	K675-A678 WeakPolarHBondContact O-CB 3.31Å; K675-A678 PolarHBondContact O-N 3.4Å; Q676-A678 VanDerWaalsContact C-N 3.3Å; Q676-A678 PolarHBondContact O-N 3.1Å; A678-F680 HydrophobicContact CB-CE1 3.92Å; A678-F680 HydrophobicContact CB-CE2 3.91Å; A678-F680 HydrophobicContact CB-CZ 3.36Å
679	K	71.1	Confident	80	Confident	195 Å²	195	66.6 Å²	66.6	85%	0.848	35%	0.354	S	S	*	.			trans	-93.4	135.1	179.6	-64.6	-177.1	179.7	-178.6	0	110.4
680	F	75.6	Confident	81.5	Confident	39 Å²	39	62.6 Å²	62.6	17%	0.171	34%	0.336	C	S	.	.			trans	-132.9	154.5	-177.8	-56.3	-55.1	0	0	0	111.8	A674 A678 I682 T685 F695	A674-F680 HydrophobicContact CB-CE2 4.45Å; A674-F680 HydrophobicContact CB-CZ 3.77Å; A678-F680 HydrophobicContact CB-CE1 3.92Å; A678-F680 HydrophobicContact CB-CE2 3.91Å; A678-F680 HydrophobicContact CB-CZ 3.36Å; F680-I682 VanDerWaalsContact C-N 3.26Å; F680-I682 HydrophobicContact CB-CD1 4.38Å; F680-I682 PolarHBondContact O-N 3.28Å; F680-T685 HydrophobicContact CB-CG2 4.46Å; F680-F695 AromaticContact CD1-CZ 3.81Å; F680-F695 HydrophobicContact CD1-CZ 3.81Å; F680-F695 HydrophobicContact CD2-CZ 4.19Å; F680-F695 HydrophobicContact CE1-CE2 4Å; F680-F695 AromaticContact CE1-CZ 3.6Å; F680-F695 HydrophobicContact CE1-CZ 3.6Å; F680-F695 HydrophobicContact CE2-CE2 4.06Å; F680-F695 AromaticContact CE2-CZ 3.97Å; F680-F695 HydrophobicContact CE2-CZ 3.97Å; F680-F695 HydrophobicContact CG-CZ 4.11Å; F680-F695 AromaticContact CZ-CE2 3.68Å; F680-F695 HydrophobicContact CZ-CE2 3.68Å; F680-F695 AromaticContact CZ-CZ 3.67Å; F680-F695 HydrophobicContact CZ-CZ 3.67Å
681	P	90.8	Very high	82.6	Confident	28 Å²	28	58.8 Å²	58.8	18%	0.182	32%	0.32	C	S	.	.			trans	-77.2	79.8	173.3	31.3	-30.1	0	0	0	109.2	D640 K683 W684 T685	D640-P681 VanDerWaalsContact OD1-CG 3.24Å; D640-P681 WeakPolarHBondContact OD1-CG 3.37Å; P681-K683 PolarHBondContact O-N 3.34Å; P681-W684 HydrophobicContact CB-CE3 4.01Å; P681-W684 PolarHBondContact O-N 3.49Å; P681-T685 VanDerWaalsContact C-OG1 3.31Å; P681-T685 PolarHBondContact O-N 2.69Å; P681-T685 PolarHBondContact O-OG1 2.94Å
682	I	93.5	Very high	83.6	Confident	37 Å²	37	62.7 Å²	62.7	19%	0.19	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-44.2	-43.8	-168.5	-57.7	-57.9	0	0	0	113.5	F680 W684 T685 N724 L728	F680-I682 VanDerWaalsContact C-N 3.26Å; F680-I682 HydrophobicContact CB-CD1 4.38Å; F680-I682 PolarHBondContact O-N 3.28Å; I682-W684 PolarHBondContact O-N 3.41Å; I682-T685 PolarHBondContact O-N 3.01Å; I682-N724 HydrophobicContact CB-CB 4.14Å; I682-N724 HydrophobicContact CG1-CB 4.13Å; I682-N724 HydrophobicContact CG2-CB 4.4Å; I682-L728 HydrophobicContact CG2-CB 4.13Å
683	K	97.2	Very high	84.3	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.035	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-65.5	-16.5	-178.3	-59.8	-158.1	165.5	-170.3	0	116	M207 P681 P718 F719 M722 T727	M207-K683 HydrophobicContact CE-CD 4.34Å; P681-K683 PolarHBondContact O-N 3.34Å; K683-P718 HydrophobicContact CB-CB 4.41Å; K683-P718 WeakPolarHBondContact CD-O 3.21Å; K683-P718 PolarHBondContact NZ-O 3.34Å; K683-F719 HydrophobicContact CB-CD2 4.18Å; K683-F719 HydrophobicContact CD-CB 4.24Å; K683-F719 HydrophobicContact CD-CD2 4.39Å; K683-F719 HydrophobicContact CG-CD2 4.42Å; K683-F719 PolarHBondContact NZ-O 3.27Å; K683-M722 WeakPolarHBondContact CE-O 3.43Å; K683-M722 PolarHBondContact NZ-O 3.24Å; K683-T727 WeakPolarHBondContact CE-OG1 3.43Å; K683-T727 HydrophobicContact CG-CG2 4.21Å
684	W	97.6	Very high	85.1	Confident	29 Å²	29	61.1 Å²	61.1	11%	0.11	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-103.2	-14.9	171.4	-68.5	-101.6	0	0	0	112.1	A642 P681 I682 S703 I706 E710 P718	A642-W684 VanDerWaalsContact CB-CD1 3.49Å; A642-W684 HydrophobicContact CB-CD2 4.33Å; A642-W684 HydrophobicContact CB-CG 4.05Å; P681-W684 HydrophobicContact CB-CE3 4.01Å; P681-W684 PolarHBondContact O-N 3.49Å; I682-W684 PolarHBondContact O-N 3.41Å; W684-S703 WeakPolarHBondContact O-CA 3.34Å; W684-S703 WeakPolarHBondContact O-CB 3.39Å; W684-S703 PolarHBondContact O-OG 3.31Å; W684-I706 VanDerWaalsContact CD1-CG2 3.43Å; W684-I706 HydrophobicContact CD2-CG2 4.31Å; W684-I706 HydrophobicContact CG-CB 4.48Å; W684-I706 HydrophobicContact CG-CG2 3.91Å; W684-E710 WeakPolarHBondContact CZ2-OE1 3.47Å; W684-E710 PolarHBondContact NE1-OE2 2.95Å; W684-P718 HydrophobicContact CH2-CG 4.39Å; W684-P718 HydrophobicContact CZ2-CG 3.9Å
685	T	95.8	Very high	86.1	Confident	11 Å²	11	60.6 Å²	60.6	7%	0.067	32%	0.317	C	S	.	.	S	Bend	trans	-84.2	130.7	-171	-49.7	0	0	0	0	110.4	F680 P681 I682 A689 A690 F695	F680-T685 HydrophobicContact CB-CG2 4.46Å; P681-T685 VanDerWaalsContact C-OG1 3.31Å; P681-T685 PolarHBondContact O-N 2.69Å; P681-T685 PolarHBondContact O-OG1 2.94Å; I682-T685 PolarHBondContact O-N 3.01Å; T685-A689 HydrophobicContact CG2-CB 3.81Å; T685-A690 HydrophobicContact CG2-CB 3.89Å; T685-F695 HydrophobicContact CG2-CE1 4.46Å
686	A	97.1	Very high	87.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.008	28%	0.283	C	S	.	.			trans	-61.5	147.6	174.5	0	0	0	0	0	111.7	E688 A689 A690 W702	A686-E688 VanDerWaalsContact C-N 3.31Å; A686-E688 WeakPolarHBondContact CB-OE1 3.5Å; A686-E688 WeakPolarHBondContact CB-OE2 3.24Å; A686-E688 PolarHBondContact O-N 2.63Å; A686-A689 HydrophobicContact CB-CB 4.31Å; A686-A689 CarbonylContact O-C 3.32Å; A686-A689 WeakPolarHBondContact O-CA 3.46Å; A686-A689 WeakPolarHBondContact O-CB 3.32Å; A686-A689 PolarHBondContact O-N 2.74Å; A686-A690 PolarHBondContact O-N 2.78Å; A686-W702 HydrophobicContact CB-CB 3.71Å; A686-W702 HydrophobicContact CB-CD2 4.06Å; A686-W702 HydrophobicContact CB-CG 3.64Å
687	P	95.1	Very high	88.7	Confident	15 Å²	15	44.3 Å²	44.3	10%	0.097	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-40	-175	20.9	-31.8	0	0	0	113	A689 A690 L691 W702 V731	P687-A689 VanDerWaalsContact C-N 3.31Å; P687-A689 PolarHBondContact O-N 2.94Å; P687-A690 PolarHBondContact O-N 2.84Å; P687-L691 HydrophobicContact CB-CD1 4.4Å; P687-L691 VanDerWaalsContact O-CB 3.29Å; P687-L691 WeakPolarHBondContact O-CB 3.36Å; P687-L691 WeakPolarHBondContact O-CG 3.27Å; P687-L691 PolarHBondContact O-N 3.48Å; P687-W702 HydrophobicContact CG-CH2 4.26Å; P687-W702 HydrophobicContact CG-CZ3 4.11Å; P687-V731 HydrophobicContact CB-CG1 4.17Å; P687-V731 HydrophobicContact CG-CG1 4.21Å
688	E	94.7	Very high	90.4	Very high	19 Å²	19	42.4 Å²	42.4	9%	0.089	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-30.6	176.7	74.7	-71.5	172.7	0	0	113.2	A686 M692 G693 R694 S699 P759 R762	A686-E688 VanDerWaalsContact C-N 3.31Å; A686-E688 WeakPolarHBondContact CB-OE1 3.5Å; A686-E688 WeakPolarHBondContact CB-OE2 3.24Å; A686-E688 PolarHBondContact O-N 2.63Å; E688-M692 WeakPolarHBondContact O-CA 3.24Å; E688-M692 WeakPolarHBondContact O-CB 3.46Å; E688-M692 PolarHBondContact O-N 2.96Å; E688-M692 VanDerWaalsContact O-N 3.12Å; E688-G693 PolarHBondContact O-N 2.86Å; E688-R694 PolarHBondContact O-N 3.09Å; E688-S699 WeakPolarHBondContact OE1-CB 3.5Å; E688-P759 HydrophobicContact CG-CG 3.87Å; E688-R762 IonicContact OE1-CZ 3.59Å; E688-R762 IonicContact OE1-NH1 3.56Å; E688-R762 PolarHBondContact OE1-NH1 3.3Å; E688-R762 IonicContact OE1-NH2 3Å; E688-R762 IonicContact OE2-CZ 2.67Å; E688-R762 IonicContact OE2-NH1 3.5Å; E688-R762 PolarHBondContact OE2-NH1 3.04Å; E688-R762 IonicContact OE2-NH2 2.7Å; E688-R762 PolarHBondContact OE2-NH2 3.08Å
689	A	94	Very high	92	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-78.5	-31.9	175.8	0	0	0	0	0	112.2	T685 A686 P687 G693 R694 F695	T685-A689 HydrophobicContact CG2-CB 3.81Å; A686-A689 HydrophobicContact CB-CB 4.31Å; A686-A689 CarbonylContact O-C 3.32Å; A686-A689 WeakPolarHBondContact O-CA 3.46Å; A686-A689 WeakPolarHBondContact O-CB 3.32Å; A686-A689 PolarHBondContact O-N 2.74Å; P687-A689 VanDerWaalsContact C-N 3.31Å; P687-A689 PolarHBondContact O-N 2.94Å; A689-G693 VanDerWaalsContact O-CA 3.23Å; A689-G693 WeakPolarHBondContact O-CA 3.45Å; A689-G693 PolarHBondContact O-N 3.18Å; A689-R694 WeakPolarHBondContact CA-O 3.39Å; A689-F695 HydrophobicContact CB-CD1 3.96Å; A689-F695 HydrophobicContact CB-CD2 4.42Å; A689-F695 HydrophobicContact CB-CE1 3.93Å; A689-F695 HydrophobicContact CB-CE2 4.35Å; A689-F695 HydrophobicContact CB-CG 4.21Å; A689-F695 HydrophobicContact CB-CZ 4.1Å
690	A	92.1	Very high	93.3	Very high	24 Å²	24	31 Å²	31	20%	0.198	16%	0.155	C	C	.	.	H	α-helix	trans	-78.3	-44.4	177.5	0	0	0	0	0	112.9	T685 A686 P687 L728	T685-A690 HydrophobicContact CG2-CB 3.89Å; A686-A690 PolarHBondContact O-N 2.78Å; P687-A690 PolarHBondContact O-N 2.84Å; A690-L728 HydrophobicContact CB-CD1 3.73Å; A690-L728 HydrophobicContact CB-CD2 4.45Å
691	L	90.8	Very high	94.4	Very high	78 Å²	78	29.1 Å²	29.1	41%	0.408	15%	0.147	S	C	.	.	H	α-helix	trans	-85.2	-45.3	-175.1	-64.1	165.9	0	0	0	112.6	P687 L728 E732	P687-L691 HydrophobicContact CB-CD1 4.4Å; P687-L691 VanDerWaalsContact O-CB 3.29Å; P687-L691 WeakPolarHBondContact O-CB 3.36Å; P687-L691 WeakPolarHBondContact O-CG 3.27Å; P687-L691 PolarHBondContact O-N 3.48Å; L691-L728 HydrophobicContact CD2-CD1 4.22Å; L691-L728 HydrophobicContact CD2-CD2 3.87Å; L691-L728 HydrophobicContact CD2-CG 4.08Å; L691-L728 HydrophobicContact CG-CD1 4.15Å; L691-E732 HydrophobicContact CD1-CG 4.22Å; L691-E732 WeakPolarHBondContact CD1-OE1 3.48Å
692	M	90	Very high	94.7	Very high	139 Å²	139	27.9 Å²	27.9	69%	0.685	14%	0.139	S	C	*	.	S	Bend	trans	-103.8	-3.2	-174	-47.5	-175.5	-175.6	0	0	112.9	E688 R694	E688-M692 WeakPolarHBondContact O-CA 3.24Å; E688-M692 WeakPolarHBondContact O-CB 3.46Å; E688-M692 PolarHBondContact O-N 2.96Å; E688-M692 VanDerWaalsContact O-N 3.12Å; M692-R694 HydrophobicContact CB-CB 4.38Å; M692-R694 PolarHBondContact O-N 3.24Å
693	G	88	Confident	95	Very high	11 Å²	11	26.5 Å²	26.5	11%	0.113	13%	0.132	C	C	.	.			trans	66.9	11.8	-173.4	0	0	0	0	0	114.1	Y672 T673 A674 E688 A689 F695	Y672-G693 VanDerWaalsContact O-O 3.09Å; T673-G693 CarbonylContact C-O 3.53Å; T673-G693 WeakPolarHBondContact CA-O 3.45Å; A674-G693 PolarHBondContact N-O 2.88Å; E688-G693 PolarHBondContact O-N 2.86Å; A689-G693 VanDerWaalsContact O-CA 3.23Å; A689-G693 WeakPolarHBondContact O-CA 3.45Å; A689-G693 PolarHBondContact O-N 3.18Å; G693-F695 VanDerWaalsContact O-CD2 3.26Å; G693-F695 WeakPolarHBondContact O-CD2 3.34Å; G693-F695 PolarHBondContact O-N 3.11Å
694	R	91.3	Very high	95.1	Very high	118 Å²	118	26.1 Å²	26.1	45%	0.445	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	94.6	-173.8	-177.1	-176.5	175.3	175.7	-0.6	110.9	T671 E688 A689 M692 T696	T671-R694 HydrophobicContact CG2-CG 4.33Å; E688-R694 PolarHBondContact O-N 3.09Å; A689-R694 WeakPolarHBondContact CA-O 3.39Å; M692-R694 HydrophobicContact CB-CB 4.38Å; M692-R694 PolarHBondContact O-N 3.24Å; R694-T696 HydrophobicContact CG-CG2 4.37Å
695	F	91.6	Very high	95.1	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.018	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.3	172.5	-65.9	-96.9	0	0	0	110.9	I637 R639 Y672 A674 F680 T685 A689 G693	I637-F695 HydrophobicContact CD1-CB 4.17Å; I637-F695 WeakPolarHBondContact CD1-O 3.29Å; I637-F695 HydrophobicContact CG2-CB 4.37Å; R639-F695 HydrophobicContact CB-CD1 3.79Å; R639-F695 HydrophobicContact CB-CE1 4.09Å; R639-F695 HydrophobicContact CG-CB 4.09Å; R639-F695 HydrophobicContact CG-CD1 3.71Å; R639-F695 HydrophobicContact CG-CE1 4.47Å; R639-F695 HydrophobicContact CG-CG 4.06Å; R639-F695 VanDerWaalsContact NH2-CZ 3.33Å; Y672-F695 HydrophobicContact CD1-CB 4.24Å; Y672-F695 HydrophobicContact CD1-CD2 4.16Å; Y672-F695 PolarHBondContact N-O 2.8Å; Y672-F695 PolarHBondContact O-N 3.08Å; A674-F695 HydrophobicContact CB-CD2 4.16Å; A674-F695 HydrophobicContact CB-CE2 3.8Å; F680-F695 AromaticContact CD1-CZ 3.81Å; F680-F695 HydrophobicContact CD1-CZ 3.81Å; F680-F695 HydrophobicContact CD2-CZ 4.19Å; F680-F695 HydrophobicContact CE1-CE2 4Å; F680-F695 AromaticContact CE1-CZ 3.6Å; F680-F695 HydrophobicContact CE1-CZ 3.6Å; F680-F695 HydrophobicContact CE2-CE2 4.06Å; F680-F695 AromaticContact CE2-CZ 3.97Å; F680-F695 HydrophobicContact CE2-CZ 3.97Å; F680-F695 HydrophobicContact CG-CZ 4.11Å; F680-F695 AromaticContact CZ-CE2 3.68Å; F680-F695 HydrophobicContact CZ-CE2 3.68Å; F680-F695 AromaticContact CZ-CZ 3.67Å; F680-F695 HydrophobicContact CZ-CZ 3.67Å; T685-F695 HydrophobicContact CG2-CE1 4.46Å; A689-F695 HydrophobicContact CB-CD1 3.96Å; A689-F695 HydrophobicContact CB-CD2 4.42Å; A689-F695 HydrophobicContact CB-CE1 3.93Å; A689-F695 HydrophobicContact CB-CE2 4.35Å; A689-F695 HydrophobicContact CB-CG 4.21Å; A689-F695 HydrophobicContact CB-CZ 4.1Å; G693-F695 VanDerWaalsContact O-CD2 3.26Å; G693-F695 WeakPolarHBondContact O-CD2 3.34Å; G693-F695 PolarHBondContact O-N 3.11Å
696	T	94.7	Very high	95.3	Very high	13 Å²	13	24.2 Å²	24.2	8%	0.08	12%	0.122	C	C	.	.			trans	-150.3	169	176.3	64.9	0	0	0	0	109.1	I637 T671 R694 K698 S699 D700	I637-T696 WeakPolarHBondContact CG2-O 3.11Å; T671-T696 HydrophobicContact CG2-CG2 3.88Å; R694-T696 HydrophobicContact CG-CG2 4.37Å; T696-K698 PolarHBondContact O-N 3.41Å; T696-K698 PolarHBondContact OG1-N 2.64Å; T696-S699 PolarHBondContact N-OG 3.32Å; T696-S699 WeakPolarHBondContact O-CB 3.47Å; T696-S699 PolarHBondContact O-N 2.96Å; T696-S699 PolarHBondContact O-OG 3.41Å; T696-S699 PolarHBondContact OG1-N 2.72Å; T696-S699 VanDerWaalsContact OG1-N 3.15Å; T696-D700 PolarHBondContact O-N 2.67Å
697	I	95.9	Very high	95.3	Very high	31 Å²	31	24.1 Å²	24.1	16%	0.159	12%	0.122	C	C	.	.	H	α-helix	trans	-57.7	-31.9	169.7	-168.2	66.6	0	0	0	111.9	M628 E632 S699 D700 V701 F765	M628-I697 HydrophobicContact CE-CD1 4.22Å; E632-I697 HydrophobicContact CB-CD1 4.02Å; E632-I697 HydrophobicContact CB-CG1 3.84Å; E632-I697 HydrophobicContact CG-CG1 3.98Å; I697-S699 VanDerWaalsContact C-N 3.26Å; I697-S699 PolarHBondContact O-N 3.3Å; I697-D700 HydrophobicContact CD1-CB 4.44Å; I697-D700 CarbonylContact O-C 3.44Å; I697-D700 WeakPolarHBondContact O-CA 3.45Å; I697-D700 WeakPolarHBondContact O-CB 3.35Å; I697-D700 PolarHBondContact O-N 3.3Å; I697-V701 WeakPolarHBondContact O-CG2 3.25Å; I697-V701 PolarHBondContact O-N 3.37Å; I697-F765 HydrophobicContact CD1-CD2 3.8Å; I697-F765 HydrophobicContact CD1-CE2 3.7Å; I697-F765 HydrophobicContact CG1-CD2 3.86Å; I697-F765 HydrophobicContact CG1-CE2 3.97Å
698	K	98	Very high	95.5	Very high	41 Å²	41	23.4 Å²	23.4	18%	0.178	12%	0.117	C	C	.	.	H	α-helix	trans	-67.9	-21.4	174.1	-60	-63.5	-171	170.6	0	113.8	T696 W702 P759 R762 P763	T696-K698 PolarHBondContact O-N 3.41Å; T696-K698 PolarHBondContact OG1-N 2.64Å; K698-W702 PolarHBondContact O-N 2.78Å; K698-P759 HydrophobicContact CB-CB 3.84Å; K698-P759 WeakPolarHBondContact CB-O 3.43Å; K698-P759 VanDerWaalsContact CD-O 3.29Å; K698-P759 WeakPolarHBondContact CD-O 3.29Å; K698-P759 VanDerWaalsContact CG-O 3.24Å; K698-P759 WeakPolarHBondContact CG-O 3.29Å; K698-R762 HydrophobicContact CD-CB 4.41Å; K698-R762 PolarHBondContact NZ-O 3.3Å; K698-R762 WeakPolarHBondContact O-CD 3.27Å; K698-R762 PolarHBondContact O-NH1 3.43Å; K698-P763 PolarHBondContact NZ-O 3.26Å
699	S	97.2	Very high	95.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	12%	0.115	C	C	.	.	H	α-helix	trans	-78.3	-28.2	169	71.4	0	0	0	0	112.4	E688 T696 I697 S703	E688-S699 WeakPolarHBondContact OE1-CB 3.5Å; T696-S699 PolarHBondContact N-OG 3.32Å; T696-S699 WeakPolarHBondContact O-CB 3.47Å; T696-S699 PolarHBondContact O-N 2.96Å; T696-S699 PolarHBondContact O-OG 3.41Å; T696-S699 PolarHBondContact OG1-N 2.72Å; T696-S699 VanDerWaalsContact OG1-N 3.15Å; I697-S699 VanDerWaalsContact C-N 3.26Å; I697-S699 PolarHBondContact O-N 3.3Å; S699-S703 PolarHBondContact O-N 3.19Å; S699-S703 PolarHBondContact O-OG 3.48Å
700	D	97.9	Very high	95.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-73.1	-33.5	168.4	-66.8	-33.2	0	0	0	111.4	M628 I637 H638 R639 T696 I697 W702 S703 F704 F765	M628-D700 HydrophobicContact CE-CB 3.77Å; I637-D700 WeakPolarHBondContact CA-OD2 3.27Å; I637-D700 WeakPolarHBondContact CG2-OD2 3.41Å; H638-D700 PolarHBondContact N-OD2 2.89Å; R639-D700 WeakPolarHBondContact CA-OD1 3.42Å; R639-D700 PolarHBondContact N-OD1 3.19Å; T696-D700 PolarHBondContact O-N 2.67Å; I697-D700 HydrophobicContact CD1-CB 4.44Å; I697-D700 CarbonylContact O-C 3.44Å; I697-D700 WeakPolarHBondContact O-CA 3.45Å; I697-D700 WeakPolarHBondContact O-CB 3.35Å; I697-D700 PolarHBondContact O-N 3.3Å; D700-W702 VanDerWaalsContact C-N 3.32Å; D700-W702 PolarHBondContact O-N 3.18Å; D700-S703 CarbonylContact O-C 3.49Å; D700-S703 WeakPolarHBondContact O-CA 3.49Å; D700-S703 VanDerWaalsContact O-CB 3.31Å; D700-S703 WeakPolarHBondContact O-CB 3.23Å; D700-S703 PolarHBondContact O-N 2.87Å; D700-S703 VanDerWaalsContact O-N 3.08Å; D700-F704 PolarHBondContact O-N 2.87Å; D700-F765 HydrophobicContact CB-CE2 4.01Å; D700-F765 HydrophobicContact CB-CZ 4.13Å
701	V	98.7	Very high	96.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-42.3	173.6	173.1	0	0	0	0	111.4	I697 S703 F704 G705 T754 R762 P763 F765 L768	I697-V701 WeakPolarHBondContact O-CG2 3.25Å; I697-V701 PolarHBondContact O-N 3.37Å; V701-S703 VanDerWaalsContact C-N 3.34Å; V701-S703 PolarHBondContact O-N 3.31Å; V701-F704 WeakPolarHBondContact O-CB 3.33Å; V701-F704 PolarHBondContact O-N 3.15Å; V701-G705 PolarHBondContact O-N 2.73Å; V701-G705 VanDerWaalsContact O-N 3.09Å; V701-T754 HydrophobicContact CG1-CG2 3.81Å; V701-T754 WeakPolarHBondContact O-CB 3.49Å; V701-R762 HydrophobicContact CG1-CB 3.93Å; V701-P763 HydrophobicContact CG1-CG 4.15Å; V701-F765 HydrophobicContact CB-CE2 4.36Å; V701-F765 HydrophobicContact CB-CZ 4.35Å; V701-F765 HydrophobicContact CG2-CD2 3.73Å; V701-F765 HydrophobicContact CG2-CE1 4.39Å; V701-F765 HydrophobicContact CG2-CE2 3.42Å; V701-F765 VanDerWaalsContact CG2-CE2 3.42Å; V701-F765 HydrophobicContact CG2-CG 4.35Å; V701-F765 HydrophobicContact CG2-CZ 3.8Å; V701-L768 HydrophobicContact CG1-CD1 4.14Å
702	W	98.7	Very high	96.5	Very high	3 Å²	3	19 Å²	19	1%	0.011	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-47.1	170.8	174.4	-73.7	0	0	0	112	A686 P687 K698 D700 F704 G705 I706 V731 T754 W755	A686-W702 HydrophobicContact CB-CB 3.71Å; A686-W702 HydrophobicContact CB-CD2 4.06Å; A686-W702 HydrophobicContact CB-CG 3.64Å; P687-W702 HydrophobicContact CG-CH2 4.26Å; P687-W702 HydrophobicContact CG-CZ3 4.11Å; K698-W702 PolarHBondContact O-N 2.78Å; D700-W702 VanDerWaalsContact C-N 3.32Å; D700-W702 PolarHBondContact O-N 3.18Å; W702-F704 VanDerWaalsContact C-N 3.26Å; W702-F704 PolarHBondContact O-N 3.36Å; W702-G705 WeakPolarHBondContact O-CA 3.2Å; W702-G705 PolarHBondContact O-N 3.18Å; W702-G705 VanDerWaalsContact O-N 3.09Å; W702-I706 PolarHBondContact O-N 3.12Å; W702-V731 HydrophobicContact CH2-CG1 3.53Å; W702-V731 HydrophobicContact CZ2-CG1 3.61Å; W702-V731 HydrophobicContact CZ2-CG2 4.41Å; W702-T754 WeakPolarHBondContact CA-O 3.48Å; W702-W755 AromaticContact CD2-CD1 3.83Å; W702-W755 AromaticContact CE2-CD1 3.96Å; W702-W755 HydrophobicContact CE3-CB 4.06Å; W702-W755 HydrophobicContact CE3-CG 4.49Å; W702-W755 HydrophobicContact CH2-CB 4.05Å; W702-W755 HydrophobicContact CH2-CG 4.49Å; W702-W755 HydrophobicContact CZ3-CB 3.8Å; W702-W755 HydrophobicContact CZ3-CG 4.49Å; W702-W755 VanDerWaalsContact CZ3-O 3.25Å; W702-W755 WeakPolarHBondContact CZ3-O 3.29Å; W702-W755 PolarHBondContact O-NE1 3.17Å
703	S	98.6	Very high	96.9	Very high	7 Å²	7	13.4 Å²	13.4	5%	0.049	6%	0.064	C	C	.	.	H	α-helix	trans	-60.9	-36.8	178.8	-51.2	0	0	0	0	111.2	L641 W684 S699 D700 V701 I706 V707	L641-S703 WeakPolarHBondContact O-CB 3.24Å; W684-S703 WeakPolarHBondContact O-CA 3.34Å; W684-S703 WeakPolarHBondContact O-CB 3.39Å; W684-S703 PolarHBondContact O-OG 3.31Å; S699-S703 PolarHBondContact O-N 3.19Å; S699-S703 PolarHBondContact O-OG 3.48Å; D700-S703 CarbonylContact O-C 3.49Å; D700-S703 WeakPolarHBondContact O-CA 3.49Å; D700-S703 VanDerWaalsContact O-CB 3.31Å; D700-S703 WeakPolarHBondContact O-CB 3.23Å; D700-S703 PolarHBondContact O-N 2.87Å; D700-S703 VanDerWaalsContact O-N 3.08Å; V701-S703 VanDerWaalsContact C-N 3.34Å; V701-S703 PolarHBondContact O-N 3.31Å; S703-I706 WeakPolarHBondContact O-CB 3.45Å; S703-I706 PolarHBondContact O-N 3.15Å; S703-I706 VanDerWaalsContact O-N 3.15Å; S703-V707 PolarHBondContact O-N 3.06Å
704	F	98.8	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-36.3	173.9	-178.1	-116.1	0	0	0	112.9	M621 I624 A625 L641 D700 V701 W702 I706 V707 I708 F765 L768 F772	M621-F704 HydrophobicContact CB-CZ 4.38Å; M621-F704 WeakPolarHBondContact O-CZ 3.48Å; I624-F704 HydrophobicContact CB-CE2 3.97Å; I624-F704 HydrophobicContact CG2-CD2 3.82Å; I624-F704 HydrophobicContact CG2-CE2 3.62Å; A625-F704 HydrophobicContact CB-CE1 4.18Å; A625-F704 HydrophobicContact CB-CE2 4.47Å; A625-F704 HydrophobicContact CB-CZ 3.8Å; L641-F704 HydrophobicContact CD2-CB 3.73Å; L641-F704 HydrophobicContact CD2-CD2 4.33Å; L641-F704 HydrophobicContact CD2-CG 4.48Å; D700-F704 PolarHBondContact O-N 2.87Å; V701-F704 WeakPolarHBondContact O-CB 3.33Å; V701-F704 PolarHBondContact O-N 3.15Å; W702-F704 VanDerWaalsContact C-N 3.26Å; W702-F704 PolarHBondContact O-N 3.36Å; F704-I706 VanDerWaalsContact C-N 3.25Å; F704-I706 PolarHBondContact O-N 3.21Å; F704-V707 HydrophobicContact CD2-CB 4.38Å; F704-V707 CarbonylContact O-C 3.51Å; F704-V707 WeakPolarHBondContact O-CA 3.41Å; F704-V707 WeakPolarHBondContact O-CB 3.48Å; F704-V707 PolarHBondContact O-N 3.42Å; F704-I708 HydrophobicContact CD1-CD1 3.86Å; F704-I708 HydrophobicContact CD1-CG1 4.38Å; F704-I708 HydrophobicContact CE1-CD1 3.63Å; F704-I708 HydrophobicContact CE1-CG1 4.07Å; F704-I708 HydrophobicContact CE2-CG1 4.43Å; F704-I708 HydrophobicContact CZ-CD1 4.14Å; F704-I708 HydrophobicContact CZ-CG1 4.08Å; F704-I708 WeakPolarHBondContact O-CG1 3.47Å; F704-I708 PolarHBondContact O-N 3.24Å; F704-F765 HydrophobicContact CB-CE1 3.63Å; F704-F765 HydrophobicContact CB-CZ 3.96Å; F704-F765 HydrophobicContact CD1-CD1 4.48Å; F704-F765 AromaticContact CD1-CE1 3.92Å; F704-F765 HydrophobicContact CD1-CE1 3.92Å; F704-F765 HydrophobicContact CD2-CE1 4.33Å; F704-F765 AromaticContact CG-CE1 3.7Å; F704-F765 HydrophobicContact CG-CE1 3.7Å; F704-L768 HydrophobicContact CD1-CD1 3.76Å; F704-L768 HydrophobicContact CE1-CB 4.14Å; F704-L768 HydrophobicContact CE1-CD1 4Å; F704-L768 HydrophobicContact CE1-CD2 4.27Å; F704-L768 HydrophobicContact CE1-CG 4.37Å; F704-F772 HydrophobicContact CE1-CD2 4.43Å; F704-F772 AromaticContact CE1-CE2 3.94Å; F704-F772 HydrophobicContact CE1-CE2 3.94Å; F704-F772 HydrophobicContact CZ-CD2 4.37Å; F704-F772 HydrophobicContact CZ-CE2 4.15Å
705	G	98.8	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-55	-42.1	168.3	0	0	0	0	0	112.8	V701 W702 I708 Y709 T754 W755	V701-G705 PolarHBondContact O-N 2.73Å; V701-G705 VanDerWaalsContact O-N 3.09Å; W702-G705 WeakPolarHBondContact O-CA 3.2Å; W702-G705 PolarHBondContact O-N 3.18Å; W702-G705 VanDerWaalsContact O-N 3.09Å; G705-I708 PolarHBondContact O-N 3.44Å; G705-Y709 PolarHBondContact O-N 3.3Å; G705-Y709 VanDerWaalsContact O-N 3.1Å; G705-T754 WeakPolarHBondContact CA-OG1 3.44Å; G705-W755 WeakPolarHBondContact O-CZ2 3.33Å
706	I	98.7	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.2	-34.3	174.6	-54.3	-67.3	0	0	0	111.4	W684 W702 S703 F704 Y709 E710 P718 F719 M737 W755	W684-I706 VanDerWaalsContact CD1-CG2 3.43Å; W684-I706 HydrophobicContact CD2-CG2 4.31Å; W684-I706 HydrophobicContact CG-CB 4.48Å; W684-I706 HydrophobicContact CG-CG2 3.91Å; W702-I706 PolarHBondContact O-N 3.12Å; S703-I706 WeakPolarHBondContact O-CB 3.45Å; S703-I706 PolarHBondContact O-N 3.15Å; S703-I706 VanDerWaalsContact O-N 3.15Å; F704-I706 VanDerWaalsContact C-N 3.25Å; F704-I706 PolarHBondContact O-N 3.21Å; I706-Y709 WeakPolarHBondContact O-CB 3.45Å; I706-Y709 PolarHBondContact O-N 2.73Å; I706-E710 PolarHBondContact O-N 2.85Å; I706-P718 HydrophobicContact CG2-CB 3.85Å; I706-P718 HydrophobicContact CG2-CG 3.38Å; I706-F719 HydrophobicContact CD1-CE2 3.79Å; I706-F719 HydrophobicContact CD1-CZ 4.24Å; I706-M737 HydrophobicContact CD1-CE 3.68Å; I706-W755 HydrophobicContact CD1-CZ2 3.74Å
707	V	98.7	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.1	-37.7	172.2	173.5	0	0	0	0	112.3	I624 L641 A642 S703 F704 Y709 E710 I711	I624-V707 HydrophobicContact CD1-CG1 4.09Å; L641-V707 HydrophobicContact CG-CG2 4.24Å; A642-V707 VanDerWaalsContact CA-CG2 3.5Å; S703-V707 PolarHBondContact O-N 3.06Å; F704-V707 HydrophobicContact CD2-CB 4.38Å; F704-V707 CarbonylContact O-C 3.51Å; F704-V707 WeakPolarHBondContact O-CA 3.41Å; F704-V707 WeakPolarHBondContact O-CB 3.48Å; F704-V707 PolarHBondContact O-N 3.42Å; V707-Y709 VanDerWaalsContact C-N 3.32Å; V707-Y709 PolarHBondContact O-N 2.71Å; V707-E710 PolarHBondContact O-N 3.21Å; V707-I711 HydrophobicContact CG1-CD1 3.78Å; V707-I711 HydrophobicContact CG1-CG1 4.31Å; V707-I711 VanDerWaalsContact O-CG1 3.27Å; V707-I711 WeakPolarHBondContact O-CG1 3.47Å; V707-I711 PolarHBondContact O-N 3.26Å
708	I	98.8	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.8	-43.7	172.6	-65.8	160.9	0	0	0	110	M621 F704 G705 I711 I712 I747 I750 M751 F772	M621-I708 HydrophobicContact CE-CG2 4.1Å; M621-I708 HydrophobicContact CG-CG1 4.34Å; M621-I708 HydrophobicContact SD-CG1 4.27Å; M621-I708 HydrophobicContact SD-CG2 3.97Å; F704-I708 HydrophobicContact CD1-CD1 3.86Å; F704-I708 HydrophobicContact CD1-CG1 4.38Å; F704-I708 HydrophobicContact CE1-CD1 3.63Å; F704-I708 HydrophobicContact CE1-CG1 4.07Å; F704-I708 HydrophobicContact CE2-CG1 4.43Å; F704-I708 HydrophobicContact CZ-CD1 4.14Å; F704-I708 HydrophobicContact CZ-CG1 4.08Å; F704-I708 WeakPolarHBondContact O-CG1 3.47Å; F704-I708 PolarHBondContact O-N 3.24Å; G705-I708 PolarHBondContact O-N 3.44Å; I708-I711 PolarHBondContact O-N 3.11Å; I708-I712 HydrophobicContact CG2-CG1 4.46Å; I708-I712 PolarHBondContact O-N 2.88Å; I708-I747 HydrophobicContact CG2-CG2 3.59Å; I708-I750 HydrophobicContact CD1-CG2 4.16Å; I708-M751 HydrophobicContact CB-CG 4.01Å; I708-M751 HydrophobicContact CB-SD 4.43Å; I708-M751 HydrophobicContact CG2-CE 3.96Å; I708-M751 HydrophobicContact CG2-CG 3.6Å; I708-M751 HydrophobicContact CG2-SD 3.95Å; I708-F772 HydrophobicContact CD1-CE2 3.8Å; I708-F772 HydrophobicContact CD1-CZ 3.73Å; I708-F772 HydrophobicContact CG1-CE2 4.38Å; I708-F772 HydrophobicContact CG1-CZ 4.24Å
709	Y	98.5	Very high	98	Very high	13 Å²	13	15.1 Å²	15.1	5%	0.051	8%	0.075	C	C	.	.	H	α-helix	trans	-59.7	-48	173	179.5	-84.4	0	0	0	111.5	G705 I706 V707 I711 I712 T713 Q716 P718 M737 P740 W755	G705-Y709 PolarHBondContact O-N 3.3Å; G705-Y709 VanDerWaalsContact O-N 3.1Å; I706-Y709 WeakPolarHBondContact O-CB 3.45Å; I706-Y709 PolarHBondContact O-N 2.73Å; V707-Y709 VanDerWaalsContact C-N 3.32Å; V707-Y709 PolarHBondContact O-N 2.71Å; Y709-I711 VanDerWaalsContact C-N 3.3Å; Y709-I711 PolarHBondContact O-N 3.28Å; Y709-I712 PolarHBondContact O-N 3.26Å; Y709-T713 HydrophobicContact CD1-CG2 4.35Å; Y709-T713 HydrophobicContact CD2-CG2 4.43Å; Y709-T713 HydrophobicContact CE1-CG2 4.08Å; Y709-T713 HydrophobicContact CE2-CG2 4.18Å; Y709-T713 WeakPolarHBondContact O-CB 3.38Å; Y709-T713 WeakPolarHBondContact O-CG2 3.41Å; Y709-T713 PolarHBondContact O-N 3.49Å; Y709-T713 PolarHBondContact O-OG1 2.85Å; Y709-Q716 HydrophobicContact CE1-CB 4.46Å; Y709-P718 HydrophobicContact CD1-CB 4.5Å; Y709-P718 HydrophobicContact CD1-CG 4.38Å; Y709-M737 HydrophobicContact CD1-CE 3.89Å; Y709-M737 HydrophobicContact CD1-SD 4.22Å; Y709-M737 HydrophobicContact CD2-CB 4.49Å; Y709-M737 HydrophobicContact CD2-CE 3.59Å; Y709-M737 HydrophobicContact CD2-SD 3.99Å; Y709-M737 HydrophobicContact CE1-CE 4.28Å; Y709-M737 HydrophobicContact CE1-SD 3.98Å; Y709-M737 HydrophobicContact CE2-CB 4.21Å; Y709-M737 HydrophobicContact CE2-CE 3.99Å; Y709-M737 HydrophobicContact CE2-SD 3.73Å; Y709-M737 HydrophobicContact CG-CE 3.54Å; Y709-M737 HydrophobicContact CG-SD 4.23Å; Y709-P740 HydrophobicContact CD2-CG 3.79Å; Y709-P740 HydrophobicContact CE2-CG 3.86Å; Y709-W755 HydrophobicContact CD2-CH2 4.48Å
710	E	98.5	Very high	97.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-57	-42	175	-74.3	-175.7	105.5	0	0	111.5	A643 W684 I706 V707 T713 Y714 G715 P718	A643-E710 HydrophobicContact CB-CB 3.91Å; A643-E710 VanDerWaalsContact CB-CD 3.46Å; A643-E710 HydrophobicContact CB-CG 4.31Å; A643-E710 WeakPolarHBondContact CB-OE2 3.39Å; A643-E710 PolarHBondContact N-OE2 2.89Å; W684-E710 WeakPolarHBondContact CZ2-OE1 3.47Å; W684-E710 PolarHBondContact NE1-OE2 2.95Å; I706-E710 PolarHBondContact O-N 2.85Å; V707-E710 PolarHBondContact O-N 3.21Å; E710-T713 PolarHBondContact O-OG1 2.98Å; E710-Y714 PolarHBondContact O-N 3.4Å; E710-G715 WeakPolarHBondContact O-CA 3.46Å; E710-G715 PolarHBondContact O-N 3.26Å; E710-P718 HydrophobicContact CG-CG 4.21Å
711	I	98.5	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-49.4	-178.9	-69.7	167.4	0	0	0	111.7	L600 L604 L617 M621 I624 V707 I708 Y709 T713 Y714	L600-I711 HydrophobicContact CD2-CD1 4.06Å; L600-I711 HydrophobicContact CD2-CG1 3.99Å; L604-I711 HydrophobicContact CD1-CG1 4.28Å; L617-I711 HydrophobicContact CB-CG2 3.81Å; L617-I711 HydrophobicContact CD2-CG2 3.96Å; L617-I711 HydrophobicContact CG-CG2 4.38Å; M621-I711 HydrophobicContact CE-CB 4Å; M621-I711 HydrophobicContact CE-CG2 3.49Å; M621-I711 VanDerWaalsContact CE-CG2 3.49Å; M621-I711 HydrophobicContact CG-CD1 3.87Å; M621-I711 HydrophobicContact CG-CG2 4.28Å; I624-I711 HydrophobicContact CD1-CD1 3.74Å; V707-I711 HydrophobicContact CG1-CD1 3.78Å; V707-I711 HydrophobicContact CG1-CG1 4.31Å; V707-I711 VanDerWaalsContact O-CG1 3.27Å; V707-I711 WeakPolarHBondContact O-CG1 3.47Å; V707-I711 PolarHBondContact O-N 3.26Å; I708-I711 PolarHBondContact O-N 3.11Å; Y709-I711 VanDerWaalsContact C-N 3.3Å; Y709-I711 PolarHBondContact O-N 3.28Å; I711-T713 PolarHBondContact O-N 3.38Å; I711-Y714 PolarHBondContact O-N 3.09Å
712	I	97.6	Very high	97.5	Very high	15 Å²	15	25.4 Å²	25.4	8%	0.077	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-30.8	179.4	-72.2	-65	0	0	0	112.3	L614 M621 I708 Y709 P740 C743 I747 M751	L614-I712 HydrophobicContact CD1-CD1 3.88Å; M621-I712 HydrophobicContact CE-CD1 3.68Å; M621-I712 HydrophobicContact CE-CG1 3.68Å; I708-I712 HydrophobicContact CG2-CG1 4.46Å; I708-I712 PolarHBondContact O-N 2.88Å; Y709-I712 PolarHBondContact O-N 3.26Å; I712-P740 HydrophobicContact CG2-CB 3.94Å; I712-P740 HydrophobicContact CG2-CG 4.13Å; I712-C743 HydrophobicContact CG2-CB 3.84Å; I712-I747 HydrophobicContact CD1-CD1 4.17Å; I712-I747 HydrophobicContact CD1-CG2 4.48Å; I712-I747 HydrophobicContact CG1-CG2 4.31Å; I712-M751 HydrophobicContact CG1-CE 4.44Å
713	T	97.3	Very high	97.3	Very high	22 Å²	22	27.2 Å²	27.2	14%	0.135	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	14.9	-177.6	61.8	0	0	0	0	114.1	Y709 E710 I711 G715 Q716 P740	Y709-T713 HydrophobicContact CD1-CG2 4.35Å; Y709-T713 HydrophobicContact CD2-CG2 4.43Å; Y709-T713 HydrophobicContact CE1-CG2 4.08Å; Y709-T713 HydrophobicContact CE2-CG2 4.18Å; Y709-T713 WeakPolarHBondContact O-CB 3.38Å; Y709-T713 WeakPolarHBondContact O-CG2 3.41Å; Y709-T713 PolarHBondContact O-N 3.49Å; Y709-T713 PolarHBondContact O-OG1 2.85Å; E710-T713 PolarHBondContact O-OG1 2.98Å; I711-T713 PolarHBondContact O-N 3.38Å; T713-G715 PolarHBondContact O-N 3.48Å; T713-Q716 VanDerWaalsContact CB-CB 3.46Å; T713-Q716 HydrophobicContact CG2-CB 4.29Å; T713-Q716 PolarHBondContact O-N 3.17Å; T713-Q716 VanDerWaalsContact OG1-CB 3.27Å; T713-Q716 WeakPolarHBondContact OG1-CB 3.49Å; T713-Q716 PolarHBondContact OG1-N 2.94Å; T713-P740 HydrophobicContact CG2-CB 3.82Å; T713-P740 HydrophobicContact CG2-CG 4.09Å
714	Y	97.8	Very high	97	Very high	90 Å²	90	29.5 Å²	29.5	35%	0.353	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	36.7	-177.8	-55	-92.9	0	0	0	113.3	L604 R605 L612 L617 E710 I711	L604-Y714 HydrophobicContact CD2-CD1 4.45Å; R605-Y714 VanDerWaalsContact CG-O 3.27Å; R605-Y714 WeakPolarHBondContact CG-O 3.27Å; L612-Y714 WeakPolarHBondContact O-CE1 3.43Å; L612-Y714 PolarHBondContact O-OH 3.48Å; L612-Y714 VanDerWaalsContact O-OH 3.06Å; L617-Y714 HydrophobicContact CD1-CE1 3.9Å; L617-Y714 HydrophobicContact CD2-CE1 4.48Å; E710-Y714 PolarHBondContact O-N 3.4Å; I711-Y714 PolarHBondContact O-N 3.09Å
715	G	97.2	Very high	96.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	19%	0.188	C	C	.	.	S	Bend	trans	88.6	24.6	178.1	0	0	0	0	0	114.8	R605 E710 T713	R605-G715 PolarHBondContact NE-O 2.9Å; R605-G715 PolarHBondContact NH2-O 2.71Å; E710-G715 WeakPolarHBondContact O-CA 3.46Å; E710-G715 PolarHBondContact O-N 3.26Å; T713-G715 PolarHBondContact O-N 3.48Å
716	Q	96.7	Very high	96.6	Very high	89 Å²	89	37.4 Å²	37.4	42%	0.416	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-58.2	141.9	174.7	-172.5	176.1	-14.9	0	0	110.7	Y709 T713 P718	Y709-Q716 HydrophobicContact CE1-CB 4.46Å; T713-Q716 VanDerWaalsContact CB-CB 3.46Å; T713-Q716 HydrophobicContact CG2-CB 4.29Å; T713-Q716 PolarHBondContact O-N 3.17Å; T713-Q716 VanDerWaalsContact OG1-CB 3.27Å; T713-Q716 WeakPolarHBondContact OG1-CB 3.49Å; T713-Q716 PolarHBondContact OG1-N 2.94Å; Q716-P718 WeakPolarHBondContact O-CD 3.1Å
717	V	95.8	Very high	96.5	Very high	70 Å²	70	37.6 Å²	37.6	42%	0.424	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-64.5	124.1	176.3	-179.7	0	0	0	0	109.1
718	P	97.7	Very high	96.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-56.6	154.6	176.8	-26	34.9	0	0	0	112.6	K683 W684 I706 Y709 E710 Q716 M737	K683-P718 HydrophobicContact CB-CB 4.41Å; K683-P718 WeakPolarHBondContact CD-O 3.21Å; K683-P718 PolarHBondContact NZ-O 3.34Å; W684-P718 HydrophobicContact CH2-CG 4.39Å; W684-P718 HydrophobicContact CZ2-CG 3.9Å; I706-P718 HydrophobicContact CG2-CB 3.85Å; I706-P718 HydrophobicContact CG2-CG 3.38Å; Y709-P718 HydrophobicContact CD1-CB 4.5Å; Y709-P718 HydrophobicContact CD1-CG 4.38Å; E710-P718 HydrophobicContact CG-CG 4.21Å; Q716-P718 WeakPolarHBondContact O-CD 3.1Å; P718-M737 HydrophobicContact CB-CE 4.2Å; P718-M737 HydrophobicContact CB-SD 4.11Å
719	F	97.5	Very high	96.1	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.018	24%	0.24	C	C	.	.	S	Bend	trans	46.2	62.8	-177	-56.3	-90	0	0	0	111.3	K683 I706 M722 T727 V731 Y735 M737	K683-F719 HydrophobicContact CB-CD2 4.18Å; K683-F719 HydrophobicContact CD-CB 4.24Å; K683-F719 HydrophobicContact CD-CD2 4.39Å; K683-F719 HydrophobicContact CG-CD2 4.42Å; K683-F719 PolarHBondContact NZ-O 3.27Å; I706-F719 HydrophobicContact CD1-CE2 3.79Å; I706-F719 HydrophobicContact CD1-CZ 4.24Å; F719-M722 HydrophobicContact CB-CB 4.24Å; F719-M722 HydrophobicContact CB-SD 4.18Å; F719-M722 HydrophobicContact CD1-SD 4.18Å; F719-M722 PolarHBondContact O-N 3.24Å; F719-T727 HydrophobicContact CB-CG2 3.98Å; F719-T727 HydrophobicContact CD1-CG2 3.78Å; F719-T727 HydrophobicContact CD2-CG2 3.52Å; F719-T727 HydrophobicContact CE1-CG2 4.12Å; F719-T727 HydrophobicContact CE2-CG2 3.88Å; F719-T727 HydrophobicContact CG-CG2 3.47Å; F719-T727 VanDerWaalsContact CG-CG2 3.47Å; F719-T727 HydrophobicContact CZ-CG2 4.17Å; F719-V731 HydrophobicContact CE1-CG2 3.56Å; F719-V731 HydrophobicContact CZ-CG2 3.65Å; F719-Y735 HydrophobicContact CD1-CD1 4.25Å; F719-Y735 AromaticContact CD1-CE1 3.83Å; F719-Y735 HydrophobicContact CD1-CE1 3.83Å; F719-Y735 HydrophobicContact CE1-CD1 4.06Å; F719-Y735 AromaticContact CE1-CE1 3.95Å; F719-Y735 HydrophobicContact CE1-CE1 3.95Å; F719-M737 HydrophobicContact CD1-CG 3.71Å; F719-M737 HydrophobicContact CD1-SD 4.25Å; F719-M737 HydrophobicContact CD2-CG 4.49Å; F719-M737 HydrophobicContact CD2-SD 4.05Å; F719-M737 HydrophobicContact CE1-CG 3.68Å; F719-M737 HydrophobicContact CE1-SD 4.43Å; F719-M737 HydrophobicContact CE2-CE 4.22Å; F719-M737 HydrophobicContact CE2-CG 4.48Å; F719-M737 HydrophobicContact CE2-SD 4.24Å; F719-M737 HydrophobicContact CG-CG 4.12Å; F719-M737 HydrophobicContact CG-SD 4.05Å; F719-M737 HydrophobicContact CZ-CE 4.39Å; F719-M737 HydrophobicContact CZ-CG 4.08Å; F719-M737 HydrophobicContact CZ-SD 4.42Å; F719-M737 PolarHBondContact N-SD 2.98Å
720	P	94.3	Very high	96	Very high	58 Å²	58	48 Å²	48	38%	0.377	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	153	179.5	24.3	-34.5	0	0	0	111.3	M722	P720-M722 PolarHBondContact O-N 3.15Å
721	S	93.3	Very high	96	Very high	120 Å²	120	48.3 Å²	48.3	84%	0.839	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	-23.8	-168.2	68.1	0	0	0	0	118.2
722	M	95.3	Very high	95.8	Very high	40 Å²	40	54 Å²	54	20%	0.197	29%	0.285	C	S	.	.			trans	-75.7	141.4	178.3	-58.8	-177.9	-178.1	0	0	112.9	K683 F719 P720 E726 Q730 Y735	K683-M722 WeakPolarHBondContact CE-O 3.43Å; K683-M722 PolarHBondContact NZ-O 3.24Å; F719-M722 HydrophobicContact CB-CB 4.24Å; F719-M722 HydrophobicContact CB-SD 4.18Å; F719-M722 HydrophobicContact CD1-SD 4.18Å; F719-M722 PolarHBondContact O-N 3.24Å; P720-M722 PolarHBondContact O-N 3.15Å; M722-E726 WeakPolarHBondContact CA-OE2 3.43Å; M722-E726 HydrophobicContact CB-CB 4.28Å; M722-Q730 HydrophobicContact CE-CG 4.26Å; M722-Q730 HydrophobicContact SD-CB 4.43Å; M722-Q730 HydrophobicContact SD-CG 4.34Å; M722-Y735 HydrophobicContact CE-CD1 4.19Å; M722-Y735 HydrophobicContact CE-CE1 3.76Å; M722-Y735 HydrophobicContact CE-CE2 4.25Å; M722-Y735 HydrophobicContact SD-CE1 4.37Å
723	N	94.5	Very high	95.7	Very high	42 Å²	42	59.4 Å²	59.4	23%	0.225	32%	0.315	C	S	.	.			trans	-83	173.7	165.4	83.3	57.7	0	0	0	111.5	T725 E726 T727	N723-T725 PolarHBondContact O-N 3.38Å; N723-T725 WeakPolarHBondContact OD1-CA 3.38Å; N723-T725 WeakPolarHBondContact OD1-CB 3.44Å; N723-T725 PolarHBondContact OD1-N 2.83Å; N723-E726 PolarHBondContact N-OE2 3.36Å; N723-E726 WeakPolarHBondContact ND2-CG 3.46Å; N723-E726 PolarHBondContact ND2-OE1 3.09Å; N723-E726 PolarHBondContact ND2-OE2 3.37Å; N723-E726 VanDerWaalsContact ND2-OE2 3.13Å; N723-E726 PolarHBondContact O-N 3.03Å; N723-E726 PolarHBondContact OD1-N 3Å; N723-T727 WeakPolarHBondContact O-CB 3.26Å; N723-T727 PolarHBondContact O-N 3.05Å; N723-T727 PolarHBondContact O-OG1 2.89Å
724	N	93.2	Very high	95.7	Very high	55 Å²	55	60.7 Å²	60.7	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-39.2	-176.1	-77.6	-7	0	0	0	113.9	M207 I682 L728	M207-N724 VanDerWaalsContact CE-OD1 3.26Å; M207-N724 WeakPolarHBondContact CE-OD1 3.38Å; I682-N724 HydrophobicContact CB-CB 4.14Å; I682-N724 HydrophobicContact CG1-CB 4.13Å; I682-N724 HydrophobicContact CG2-CB 4.4Å; N724-L728 PolarHBondContact O-N 2.98Å; N724-L728 VanDerWaalsContact O-N 3.14Å
725	T	93.2	Very high	95.7	Very high	87 Å²	87	60 Å²	60	53%	0.534	33%	0.329	S	S	.	.	H	α-helix	trans	-69.3	-47.2	179.6	-51.6	0	0	0	0	110.6	N723 T727 L728 Q729	N723-T725 PolarHBondContact O-N 3.38Å; N723-T725 WeakPolarHBondContact OD1-CA 3.38Å; N723-T725 WeakPolarHBondContact OD1-CB 3.44Å; N723-T725 PolarHBondContact OD1-N 2.83Å; T725-T727 VanDerWaalsContact C-N 3.33Å; T725-T727 PolarHBondContact O-N 3.15Å; T725-L728 PolarHBondContact O-N 2.82Å; T725-Q729 WeakPolarHBondContact O-CG 3.43Å; T725-Q729 PolarHBondContact O-N 2.88Å
726	E	96	Very high	95.7	Very high	79 Å²	79	62 Å²	62	37%	0.369	34%	0.337	S	S	.	.	H	α-helix	trans	-58.6	-44.4	174.7	-71.4	160.3	-177.7	0	0	111.4	M722 N723 L728 Q729 Q730	M722-E726 WeakPolarHBondContact CA-OE2 3.43Å; M722-E726 HydrophobicContact CB-CB 4.28Å; N723-E726 PolarHBondContact N-OE2 3.36Å; N723-E726 WeakPolarHBondContact ND2-CG 3.46Å; N723-E726 PolarHBondContact ND2-OE1 3.09Å; N723-E726 PolarHBondContact ND2-OE2 3.37Å; N723-E726 VanDerWaalsContact ND2-OE2 3.13Å; N723-E726 PolarHBondContact O-N 3.03Å; N723-E726 PolarHBondContact OD1-N 3Å; E726-L728 VanDerWaalsContact C-N 3.34Å; E726-L728 PolarHBondContact O-N 3.46Å; E726-Q729 PolarHBondContact O-N 2.89Å; E726-Q730 WeakPolarHBondContact O-CB 3.2Å; E726-Q730 WeakPolarHBondContact O-CG 3.35Å; E726-Q730 PolarHBondContact O-N 2.96Å
727	T	96.1	Very high	95.8	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-48	178.4	-57.6	0	0	0	0	110.9	K683 F719 N723 T725 Q730 V731	K683-T727 WeakPolarHBondContact CE-OG1 3.43Å; K683-T727 HydrophobicContact CG-CG2 4.21Å; F719-T727 HydrophobicContact CB-CG2 3.98Å; F719-T727 HydrophobicContact CD1-CG2 3.78Å; F719-T727 HydrophobicContact CD2-CG2 3.52Å; F719-T727 HydrophobicContact CE1-CG2 4.12Å; F719-T727 HydrophobicContact CE2-CG2 3.88Å; F719-T727 HydrophobicContact CG-CG2 3.47Å; F719-T727 VanDerWaalsContact CG-CG2 3.47Å; F719-T727 HydrophobicContact CZ-CG2 4.17Å; N723-T727 WeakPolarHBondContact O-CB 3.26Å; N723-T727 PolarHBondContact O-N 3.05Å; N723-T727 PolarHBondContact O-OG1 2.89Å; T725-T727 VanDerWaalsContact C-N 3.33Å; T725-T727 PolarHBondContact O-N 3.15Å; T727-Q730 PolarHBondContact O-N 3.26Å; T727-V731 HydrophobicContact CG2-CG2 4.37Å; T727-V731 VanDerWaalsContact O-CB 3.29Å; T727-V731 WeakPolarHBondContact O-CB 3.27Å; T727-V731 VanDerWaalsContact O-CG2 3.26Å; T727-V731 WeakPolarHBondContact O-CG2 3.34Å; T727-V731 PolarHBondContact O-N 3Å
728	L	93.9	Very high	95.9	Very high	37 Å²	37	58.4 Å²	58.4	19%	0.194	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-47	-178	-174.1	57.4	0	0	0	111.6	I682 A690 L691 N724 T725 E726 Q730 V731 E732	I682-L728 HydrophobicContact CG2-CB 4.13Å; A690-L728 HydrophobicContact CB-CD1 3.73Å; A690-L728 HydrophobicContact CB-CD2 4.45Å; L691-L728 HydrophobicContact CD2-CD1 4.22Å; L691-L728 HydrophobicContact CD2-CD2 3.87Å; L691-L728 HydrophobicContact CD2-CG 4.08Å; L691-L728 HydrophobicContact CG-CD1 4.15Å; N724-L728 PolarHBondContact O-N 2.98Å; N724-L728 VanDerWaalsContact O-N 3.14Å; T725-L728 PolarHBondContact O-N 2.82Å; E726-L728 VanDerWaalsContact C-N 3.34Å; E726-L728 PolarHBondContact O-N 3.46Å; L728-Q730 PolarHBondContact O-N 2.99Å; L728-V731 PolarHBondContact O-N 2.64Å; L728-E732 WeakPolarHBondContact O-CB 3.37Å; L728-E732 PolarHBondContact O-N 3.06Å
729	Q	95.3	Very high	95.9	Very high	107 Å²	107	60.6 Å²	60.6	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-43.5	177.8	-71.4	172.9	-26.8	0	0	112.5	T725 E726 N733	T725-Q729 WeakPolarHBondContact O-CG 3.43Å; T725-Q729 PolarHBondContact O-N 2.88Å; E726-Q729 PolarHBondContact O-N 2.89Å; Q729-N733 WeakPolarHBondContact O-CB 3.35Å; Q729-N733 VanDerWaalsContact O-CG 3.24Å; Q729-N733 PolarHBondContact O-N 3.34Å; Q729-N733 PolarHBondContact O-ND2 3.1Å; Q729-N733 VanDerWaalsContact O-ND2 3.11Å
730	Q	97.3	Very high	95.8	Very high	87 Å²	87	61.1 Å²	61.1	41%	0.407	34%	0.341	S	S	.	.	H	α-helix	trans	-66.6	-44.4	178.2	-69.5	-67.2	-8.9	0	0	111.2	M722 E726 T727 L728 E732 N733 G734 Y735	M722-Q730 HydrophobicContact CE-CG 4.26Å; M722-Q730 HydrophobicContact SD-CB 4.43Å; M722-Q730 HydrophobicContact SD-CG 4.34Å; E726-Q730 WeakPolarHBondContact O-CB 3.2Å; E726-Q730 WeakPolarHBondContact O-CG 3.35Å; E726-Q730 PolarHBondContact O-N 2.96Å; T727-Q730 PolarHBondContact O-N 3.26Å; L728-Q730 PolarHBondContact O-N 2.99Å; Q730-E732 VanDerWaalsContact C-N 3.33Å; Q730-E732 PolarHBondContact O-N 3.47Å; Q730-N733 CarbonylContact O-C 3.49Å; Q730-N733 PolarHBondContact O-N 3.33Å; Q730-G734 PolarHBondContact O-N 3.23Å; Q730-Y735 HydrophobicContact CB-CD1 4.28Å; Q730-Y735 HydrophobicContact CB-CG 4.19Å; Q730-Y735 WeakPolarHBondContact O-CB 3.19Å; Q730-Y735 PolarHBondContact O-N 2.68Å
731	V	97.1	Very high	95.7	Very high	9 Å²	9	65.7 Å²	65.7	6%	0.055	36%	0.36	C	S	.	.	H	α-helix	trans	-61.7	-39.6	177.8	162.4	0	0	0	0	112.4	P687 W702 F719 T727 L728 G734 R736	P687-V731 HydrophobicContact CB-CG1 4.17Å; P687-V731 HydrophobicContact CG-CG1 4.21Å; W702-V731 HydrophobicContact CH2-CG1 3.53Å; W702-V731 HydrophobicContact CZ2-CG1 3.61Å; W702-V731 HydrophobicContact CZ2-CG2 4.41Å; F719-V731 HydrophobicContact CE1-CG2 3.56Å; F719-V731 HydrophobicContact CZ-CG2 3.65Å; T727-V731 HydrophobicContact CG2-CG2 4.37Å; T727-V731 VanDerWaalsContact O-CB 3.29Å; T727-V731 WeakPolarHBondContact O-CB 3.27Å; T727-V731 VanDerWaalsContact O-CG2 3.26Å; T727-V731 WeakPolarHBondContact O-CG2 3.34Å; T727-V731 PolarHBondContact O-N 3Å; L728-V731 PolarHBondContact O-N 2.64Å; V731-G734 PolarHBondContact O-N 3.19Å; V731-G734 VanDerWaalsContact O-N 3.16Å; V731-R736 PolarHBondContact O-NH1 3.49Å
732	E	94.4	Very high	95.5	Very high	118 Å²	118	67.4 Å²	67.4	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-64	-42.3	173.5	-175.6	170	-150.5	0	0	111.6	L691 L728 Q730 G734	L691-E732 HydrophobicContact CD1-CG 4.22Å; L691-E732 WeakPolarHBondContact CD1-OE1 3.48Å; L728-E732 WeakPolarHBondContact O-CB 3.37Å; L728-E732 PolarHBondContact O-N 3.06Å; Q730-E732 VanDerWaalsContact C-N 3.33Å; Q730-E732 PolarHBondContact O-N 3.47Å; E732-G734 PolarHBondContact O-N 3.22Å
733	N	96.5	Very high	95.6	Very high	130 Å²	130	66.1 Å²	66.1	70%	0.695	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	9.5	171.4	-68.7	-31.2	0	0	0	114.4	Q729 Q730	Q729-N733 WeakPolarHBondContact O-CB 3.35Å; Q729-N733 VanDerWaalsContact O-CG 3.24Å; Q729-N733 PolarHBondContact O-N 3.34Å; Q729-N733 PolarHBondContact O-ND2 3.1Å; Q729-N733 VanDerWaalsContact O-ND2 3.11Å; Q730-N733 CarbonylContact O-C 3.49Å; Q730-N733 PolarHBondContact O-N 3.33Å
734	G	96.7	Very high	95.6	Very high	48 Å²	48	65.6 Å²	65.6	50%	0.495	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	0	175.3	0	0	0	0	0	115.9	Q730 V731 E732	Q730-G734 PolarHBondContact O-N 3.23Å; V731-G734 PolarHBondContact O-N 3.19Å; V731-G734 VanDerWaalsContact O-N 3.16Å; E732-G734 PolarHBondContact O-N 3.22Å
735	Y	97.9	Very high	95.8	Very high	75 Å²	75	68.3 Å²	68.3	29%	0.294	37%	0.369	S	S	.	.			trans	-60.1	139.7	174.9	175.8	-92.5	0	0	0	111.3	F719 M722 Q730 M737 P738	F719-Y735 HydrophobicContact CD1-CD1 4.25Å; F719-Y735 AromaticContact CD1-CE1 3.83Å; F719-Y735 HydrophobicContact CD1-CE1 3.83Å; F719-Y735 HydrophobicContact CE1-CD1 4.06Å; F719-Y735 AromaticContact CE1-CE1 3.95Å; F719-Y735 HydrophobicContact CE1-CE1 3.95Å; M722-Y735 HydrophobicContact CE-CD1 4.19Å; M722-Y735 HydrophobicContact CE-CE1 3.76Å; M722-Y735 HydrophobicContact CE-CE2 4.25Å; M722-Y735 HydrophobicContact SD-CE1 4.37Å; Q730-Y735 HydrophobicContact CB-CD1 4.28Å; Q730-Y735 HydrophobicContact CB-CG 4.19Å; Q730-Y735 WeakPolarHBondContact O-CB 3.19Å; Q730-Y735 PolarHBondContact O-N 2.68Å; Y735-M737 HydrophobicContact CE1-CG 4.43Å; Y735-P738 WeakPolarHBondContact OH-CD 3.47Å
736	R	98	Very high	95.9	Very high	44 Å²	44	66 Å²	66	17%	0.166	36%	0.356	C	S	.	.			trans	-130	151.3	168.8	-59.7	-61.4	178.9	-97.5	4.2	108.8	V731 L752 W755	V731-R736 PolarHBondContact O-NH1 3.49Å; R736-L752 HydrophobicContact CB-CD2 4.05Å; R736-L752 HydrophobicContact CG-CD2 4.29Å; R736-W755 HydrophobicContact CB-CE3 4.3Å; R736-W755 VanDerWaalsContact CZ-O 3.3Å; R736-W755 PolarHBondContact NE-O 3.46Å; R736-W755 PolarHBondContact NH2-O 3.07Å
737	M	97.7	Very high	96	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-62.2	138.1	176.2	-66.6	-173.2	-69.9	0	0	109.7	I706 Y709 P718 F719 Y735 Y748 W755	I706-M737 HydrophobicContact CD1-CE 3.68Å; Y709-M737 HydrophobicContact CD1-CE 3.89Å; Y709-M737 HydrophobicContact CD1-SD 4.22Å; Y709-M737 HydrophobicContact CD2-CB 4.49Å; Y709-M737 HydrophobicContact CD2-CE 3.59Å; Y709-M737 HydrophobicContact CD2-SD 3.99Å; Y709-M737 HydrophobicContact CE1-CE 4.28Å; Y709-M737 HydrophobicContact CE1-SD 3.98Å; Y709-M737 HydrophobicContact CE2-CB 4.21Å; Y709-M737 HydrophobicContact CE2-CE 3.99Å; Y709-M737 HydrophobicContact CE2-SD 3.73Å; Y709-M737 HydrophobicContact CG-CE 3.54Å; Y709-M737 HydrophobicContact CG-SD 4.23Å; P718-M737 HydrophobicContact CB-CE 4.2Å; P718-M737 HydrophobicContact CB-SD 4.11Å; F719-M737 HydrophobicContact CD1-CG 3.71Å; F719-M737 HydrophobicContact CD1-SD 4.25Å; F719-M737 HydrophobicContact CD2-CG 4.49Å; F719-M737 HydrophobicContact CD2-SD 4.05Å; F719-M737 HydrophobicContact CE1-CG 3.68Å; F719-M737 HydrophobicContact CE1-SD 4.43Å; F719-M737 HydrophobicContact CE2-CE 4.22Å; F719-M737 HydrophobicContact CE2-CG 4.48Å; F719-M737 HydrophobicContact CE2-SD 4.24Å; F719-M737 HydrophobicContact CG-CG 4.12Å; F719-M737 HydrophobicContact CG-SD 4.05Å; F719-M737 HydrophobicContact CZ-CE 4.39Å; F719-M737 HydrophobicContact CZ-CG 4.08Å; F719-M737 HydrophobicContact CZ-SD 4.42Å; F719-M737 PolarHBondContact N-SD 2.98Å; Y735-M737 HydrophobicContact CE1-CG 4.43Å; M737-Y748 WeakPolarHBondContact O-CE2 3.34Å; M737-Y748 PolarHBondContact O-OH 3.19Å; M737-W755 HydrophobicContact CB-CH2 4.35Å; M737-W755 HydrophobicContact CB-CZ3 4.32Å; M737-W755 HydrophobicContact CE-CH2 3.58Å; M737-W755 HydrophobicContact CE-CZ2 3.67Å; M737-W755 HydrophobicContact CE-CZ3 4.47Å
738	P	97.3	Very high	96.1	Very high	82 Å²	82	64.3 Å²	64.3	53%	0.532	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-67.4	162.5	177.2	30	-36.5	0	0	0	111.6	Y735 P740	Y735-P738 WeakPolarHBondContact OH-CD 3.47Å; P738-P740 WeakPolarHBondContact O-CD 3.29Å
739	C	98	Very high	96.3	Very high	46 Å²	46	67.9 Å²	67.9	31%	0.311	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-53.4	123.1	175.6	-169.2	0	0	0	0	110.7	Y748	C739-Y748 HydrophobicContact CB-CD1 3.7Å; C739-Y748 HydrophobicContact CB-CD2 3.91Å; C739-Y748 HydrophobicContact CB-CE1 3.85Å; C739-Y748 HydrophobicContact CB-CE2 4.06Å; C739-Y748 HydrophobicContact CB-CG 3.71Å; C739-Y748 VanDerWaalsContact N-CE2 3.29Å
740	P	96.6	Very high	96.4	Very high	16 Å²	16	63.1 Å²	63.1	10%	0.104	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-63.4	151.6	178.3	-21.2	31.4	0	0	0	112.6	Y709 I712 T713 P738 N742 C743 M751	Y709-P740 HydrophobicContact CD2-CG 3.79Å; Y709-P740 HydrophobicContact CE2-CG 3.86Å; I712-P740 HydrophobicContact CG2-CB 3.94Å; I712-P740 HydrophobicContact CG2-CG 4.13Å; T713-P740 HydrophobicContact CG2-CB 3.82Å; T713-P740 HydrophobicContact CG2-CG 4.09Å; P738-P740 WeakPolarHBondContact O-CD 3.29Å; P740-N742 PolarHBondContact O-N 3.44Å; P740-C743 HydrophobicContact CB-CB 4.01Å; P740-C743 HydrophobicContact CG-CB 4.19Å; P740-C743 WeakPolarHBondContact O-CB 3.25Å; P740-C743 PolarHBondContact O-N 2.87Å; P740-M751 HydrophobicContact CG-CE 4.26Å
741	I	92.7	Very high	96.5	Very high	153 Å²	153	59 Å²	59	79%	0.785	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	132.1	174.1	-57.3	175.2	0	0	0	108.9	C743	I741-C743 PolarHBondContact O-N 2.82Å
742	N	88.5	Confident	96.5	Very high	156 Å²	156	61.5 Å²	61.5	83%	0.834	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	11	-174.8	-51.3	-32.5	0	0	0	116	P740	P740-N742 PolarHBondContact O-N 3.44Å
743	C	96.1	Very high	96.7	Very high	13 Å²	13	59.9 Å²	59.9	9%	0.088	33%	0.328	C	S	.	.			trans	-74.2	131.1	168.9	-171.6	0	0	0	0	110.7	I712 P740 I741 M751	I712-C743 HydrophobicContact CG2-CB 3.84Å; P740-C743 HydrophobicContact CB-CB 4.01Å; P740-C743 HydrophobicContact CG-CB 4.19Å; P740-C743 WeakPolarHBondContact O-CB 3.25Å; P740-C743 PolarHBondContact O-N 2.87Å; I741-C743 PolarHBondContact O-N 2.82Å; C743-M751 WeakPolarHBondContact SG-CE 3.48Å
744	P	96.2	Very high	96.8	Very high	31 Å²	31	53.7 Å²	53.7	20%	0.201	30%	0.295	C	S	.	.			trans	-61.7	138	165.5	-19.3	31.3	0	0	0	111.2	L614 S746 I747 Y748 Y775	L614-P744 HydrophobicContact CD1-CG 4.35Å; L614-P744 HydrophobicContact CD2-CG 3.72Å; P744-S746 PolarHBondContact O-N 3.04Å; P744-I747 HydrophobicContact CB-CD1 4.36Å; P744-I747 HydrophobicContact CB-CG1 4.22Å; P744-I747 HydrophobicContact CG-CD1 3.87Å; P744-I747 HydrophobicContact CG-CG1 4.27Å; P744-I747 PolarHBondContact O-N 2.84Å; P744-I747 VanDerWaalsContact O-N 3.08Å; P744-Y748 PolarHBondContact O-N 3.03Å; P744-Y775 VanDerWaalsContact CB-OH 3.31Å; P744-Y775 WeakPolarHBondContact CB-OH 3.38Å
745	N	95.9	Very high	96.9	Very high	113 Å²	113	51.6 Å²	51.6	60%	0.604	27%	0.272	S	S	*	.	H	α-helix	trans	-56.4	-39.2	179.2	-71.7	-7.4	0	0	0	112.5	I747 Y748 E749	N745-I747 VanDerWaalsContact C-N 3.32Å; N745-I747 PolarHBondContact O-N 2.98Å; N745-Y748 CarbonylContact O-C 3.52Å; N745-Y748 WeakPolarHBondContact O-CA 3.31Å; N745-Y748 WeakPolarHBondContact O-CB 3.34Å; N745-Y748 PolarHBondContact O-N 3.47Å; N745-E749 WeakPolarHBondContact O-CG 3.42Å; N745-E749 PolarHBondContact O-N 3.41Å
746	S	96	Very high	97	Very high	38 Å²	38	50.8 Å²	50.8	27%	0.266	27%	0.273	S	S	.	.	H	α-helix	trans	-56.1	-39.3	175.8	47	0	0	0	0	113.6	P744 I750 Y771 Y775	P744-S746 PolarHBondContact O-N 3.04Å; S746-I750 PolarHBondContact O-N 3.23Å; S746-Y771 WeakPolarHBondContact CB-OH 3.29Å; S746-Y771 PolarHBondContact O-OH 3.44Å; S746-Y771 VanDerWaalsContact O-OH 3.12Å; S746-Y775 PolarHBondContact OG-OH 2.9Å
747	I	97.3	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-74	-35.4	175.5	-56.7	-177.4	0	0	0	110.6	L614 I618 M621 I708 I712 P744 N745 I750 M751 F772 Y775	L614-I747 HydrophobicContact CD1-CD1 4.11Å; I618-I747 HydrophobicContact CD1-CD1 3.65Å; I618-I747 HydrophobicContact CG1-CD1 3.88Å; M621-I747 HydrophobicContact SD-CG2 4.49Å; I708-I747 HydrophobicContact CG2-CG2 3.59Å; I712-I747 HydrophobicContact CD1-CD1 4.17Å; I712-I747 HydrophobicContact CD1-CG2 4.48Å; I712-I747 HydrophobicContact CG1-CG2 4.31Å; P744-I747 HydrophobicContact CB-CD1 4.36Å; P744-I747 HydrophobicContact CB-CG1 4.22Å; P744-I747 HydrophobicContact CG-CD1 3.87Å; P744-I747 HydrophobicContact CG-CG1 4.27Å; P744-I747 PolarHBondContact O-N 2.84Å; P744-I747 VanDerWaalsContact O-N 3.08Å; N745-I747 VanDerWaalsContact C-N 3.32Å; N745-I747 PolarHBondContact O-N 2.98Å; I747-I750 PolarHBondContact O-N 2.89Å; I747-M751 HydrophobicContact CG2-CE 4.1Å; I747-M751 PolarHBondContact O-N 3.25Å; I747-F772 HydrophobicContact CG2-CE1 4.32Å; I747-Y775 HydrophobicContact CD1-CE2 4.08Å; I747-Y775 HydrophobicContact CG1-CE2 3.57Å
748	Y	98.3	Very high	96.9	Very high	47 Å²	47	57.4 Å²	57.4	18%	0.184	32%	0.316	C	S	.	.	H	α-helix	trans	-69	-36.2	175.9	178.8	-115.2	0	0	0	113	M737 C739 P744 N745 I750 M751 L752	M737-Y748 WeakPolarHBondContact O-CE2 3.34Å; M737-Y748 PolarHBondContact O-OH 3.19Å; C739-Y748 HydrophobicContact CB-CD1 3.7Å; C739-Y748 HydrophobicContact CB-CD2 3.91Å; C739-Y748 HydrophobicContact CB-CE1 3.85Å; C739-Y748 HydrophobicContact CB-CE2 4.06Å; C739-Y748 HydrophobicContact CB-CG 3.71Å; C739-Y748 VanDerWaalsContact N-CE2 3.29Å; P744-Y748 PolarHBondContact O-N 3.03Å; N745-Y748 CarbonylContact O-C 3.52Å; N745-Y748 WeakPolarHBondContact O-CA 3.31Å; N745-Y748 WeakPolarHBondContact O-CB 3.34Å; N745-Y748 PolarHBondContact O-N 3.47Å; Y748-I750 VanDerWaalsContact C-N 3.31Å; Y748-I750 PolarHBondContact O-N 2.7Å; Y748-M751 HydrophobicContact CD2-CE 4.5Å; Y748-M751 WeakPolarHBondContact O-CB 3.46Å; Y748-M751 PolarHBondContact O-N 3.45Å; Y748-M751 VanDerWaalsContact O-N 3.14Å; Y748-L752 HydrophobicContact CD1-CD1 4.12Å; Y748-L752 HydrophobicContact CE1-CD1 3.65Å; Y748-L752 HydrophobicContact CE1-CG 4.14Å; Y748-L752 HydrophobicContact CE2-CD2 4.29Å; Y748-L752 HydrophobicContact CE2-CG 4.24Å; Y748-L752 WeakPolarHBondContact O-CG 3.39Å; Y748-L752 PolarHBondContact O-N 2.88Å
749	E	98	Very high	96.9	Very high	112 Å²	112	54.8 Å²	54.8	52%	0.523	30%	0.299	S	S	.	.	H	α-helix	trans	-59.4	-41.7	169.8	-73.6	161.9	-162	0	0	111.1	N745 L752 N753	N745-E749 WeakPolarHBondContact O-CG 3.42Å; N745-E749 PolarHBondContact O-N 3.41Å; E749-L752 PolarHBondContact O-N 3.35Å; E749-N753 WeakPolarHBondContact O-CB 3.5Å; E749-N753 PolarHBondContact O-N 2.94Å; E749-N753 PolarHBondContact O-ND2 3.46Å
750	I	98.2	Very high	96.8	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-41.7	171.6	-66.4	-60.8	0	0	0	112.1	I708 S746 I747 Y748 L752 N753 T754 F767 L768 Y771 F772	I708-I750 HydrophobicContact CD1-CG2 4.16Å; S746-I750 PolarHBondContact O-N 3.23Å; I747-I750 PolarHBondContact O-N 2.89Å; Y748-I750 VanDerWaalsContact C-N 3.31Å; Y748-I750 PolarHBondContact O-N 2.7Å; I750-L752 VanDerWaalsContact C-N 3.34Å; I750-L752 PolarHBondContact O-N 3.14Å; I750-N753 PolarHBondContact O-N 3.29Å; I750-T754 HydrophobicContact CG2-CG2 4.48Å; I750-T754 WeakPolarHBondContact O-CG2 3.34Å; I750-T754 PolarHBondContact O-N 3.12Å; I750-T754 PolarHBondContact O-OG1 3.5Å; I750-F767 HydrophobicContact CD1-CE1 4.05Å; I750-L768 HydrophobicContact CG2-CD2 3.54Å; I750-Y771 HydrophobicContact CD1-CD1 4.29Å; I750-Y771 HydrophobicContact CD1-CD2 3.99Å; I750-Y771 HydrophobicContact CD1-CE1 4.23Å; I750-Y771 HydrophobicContact CD1-CE2 3.89Å; I750-Y771 HydrophobicContact CD1-CG 4.2Å; I750-Y771 HydrophobicContact CG1-CD1 3.92Å; I750-Y771 HydrophobicContact CG1-CD2 4.32Å; I750-Y771 HydrophobicContact CG1-CE1 3.51Å; I750-Y771 HydrophobicContact CG1-CE2 3.91Å; I750-Y771 HydrophobicContact CG1-CG 4.32Å; I750-Y771 VanDerWaalsContact CG1-CZ 3.49Å; I750-F772 HydrophobicContact CB-CZ 4.43Å; I750-F772 HydrophobicContact CG2-CE2 4.07Å; I750-F772 HydrophobicContact CG2-CZ 3.79Å
751	M	98.7	Very high	96.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57.5	-46.6	173.6	-72	-170.8	-109.8	0	0	111.4	I708 I712 P740 C743 I747 Y748 N753 T754 W755	I708-M751 HydrophobicContact CB-CG 4.01Å; I708-M751 HydrophobicContact CB-SD 4.43Å; I708-M751 HydrophobicContact CG2-CE 3.96Å; I708-M751 HydrophobicContact CG2-CG 3.6Å; I708-M751 HydrophobicContact CG2-SD 3.95Å; I712-M751 HydrophobicContact CG1-CE 4.44Å; P740-M751 HydrophobicContact CG-CE 4.26Å; C743-M751 WeakPolarHBondContact SG-CE 3.48Å; I747-M751 HydrophobicContact CG2-CE 4.1Å; I747-M751 PolarHBondContact O-N 3.25Å; Y748-M751 HydrophobicContact CD2-CE 4.5Å; Y748-M751 WeakPolarHBondContact O-CB 3.46Å; Y748-M751 PolarHBondContact O-N 3.45Å; Y748-M751 VanDerWaalsContact O-N 3.14Å; M751-N753 PolarHBondContact O-N 3.3Å; M751-T754 WeakPolarHBondContact CA-OG1 3.35Å; M751-T754 PolarHBondContact O-N 3.3Å; M751-T754 PolarHBondContact O-OG1 3.37Å; M751-W755 HydrophobicContact CB-CE3 4.23Å; M751-W755 HydrophobicContact CB-CH2 3.8Å; M751-W755 HydrophobicContact CB-CZ2 4.16Å; M751-W755 HydrophobicContact CB-CZ3 3.85Å; M751-W755 HydrophobicContact CG-CH2 4.23Å; M751-W755 HydrophobicContact CG-CZ2 4.44Å; M751-W755 VanDerWaalsContact O-CD2 3.25Å; M751-W755 VanDerWaalsContact O-CG 3.28Å; M751-W755 PolarHBondContact O-N 3.42Å; M751-W755 HydrophobicContact SD-CH2 3.82Å; M751-W755 HydrophobicContact SD-CZ2 4.32Å
752	L	98.6	Very high	97.2	Very high	62 Å²	62	54.2 Å²	54.2	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-44.7	175.5	-69.2	175.9	0	0	0	112.2	R736 Y748 E749 I750 T754 W755 D756	R736-L752 HydrophobicContact CB-CD2 4.05Å; R736-L752 HydrophobicContact CG-CD2 4.29Å; Y748-L752 HydrophobicContact CD1-CD1 4.12Å; Y748-L752 HydrophobicContact CE1-CD1 3.65Å; Y748-L752 HydrophobicContact CE1-CG 4.14Å; Y748-L752 HydrophobicContact CE2-CD2 4.29Å; Y748-L752 HydrophobicContact CE2-CG 4.24Å; Y748-L752 WeakPolarHBondContact O-CG 3.39Å; Y748-L752 PolarHBondContact O-N 2.88Å; E749-L752 PolarHBondContact O-N 3.35Å; I750-L752 VanDerWaalsContact C-N 3.34Å; I750-L752 PolarHBondContact O-N 3.14Å; L752-T754 VanDerWaalsContact C-N 3.32Å; L752-T754 PolarHBondContact O-N 3.23Å; L752-W755 HydrophobicContact CD2-CE3 4.5Å; L752-W755 CarbonylContact O-C 3.42Å; L752-W755 VanDerWaalsContact O-C 3.32Å; L752-W755 WeakPolarHBondContact O-CA 3.33Å; L752-W755 PolarHBondContact O-N 3.32Å; L752-D756 PolarHBondContact O-N 2.83Å
753	N	98.4	Very high	97.7	Very high	84 Å²	84	47.8 Å²	47.8	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-36.5	176.3	-67.7	-25.2	0	0	0	112.2	E749 I750 M751 W755 R762 P763	E749-N753 WeakPolarHBondContact O-CB 3.5Å; E749-N753 PolarHBondContact O-N 2.94Å; E749-N753 PolarHBondContact O-ND2 3.46Å; I750-N753 PolarHBondContact O-N 3.29Å; M751-N753 PolarHBondContact O-N 3.3Å; N753-W755 VanDerWaalsContact C-N 3.27Å; N753-W755 PolarHBondContact O-N 3.34Å; N753-R762 WeakPolarHBondContact O-CA 3.44Å; N753-P763 WeakPolarHBondContact O-CD 3.43Å
754	T	98.8	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-70.6	-22.2	172.3	55.8	0	0	0	0	113.5	V701 W702 G705 I750 M751 L752 R762 P763 L768	V701-T754 HydrophobicContact CG1-CG2 3.81Å; V701-T754 WeakPolarHBondContact O-CB 3.49Å; W702-T754 WeakPolarHBondContact CA-O 3.48Å; G705-T754 WeakPolarHBondContact CA-OG1 3.44Å; I750-T754 HydrophobicContact CG2-CG2 4.48Å; I750-T754 WeakPolarHBondContact O-CG2 3.34Å; I750-T754 PolarHBondContact O-N 3.12Å; I750-T754 PolarHBondContact O-OG1 3.5Å; M751-T754 WeakPolarHBondContact CA-OG1 3.35Å; M751-T754 PolarHBondContact O-N 3.3Å; M751-T754 PolarHBondContact O-OG1 3.37Å; L752-T754 VanDerWaalsContact C-N 3.32Å; L752-T754 PolarHBondContact O-N 3.23Å; T754-R762 VanDerWaalsContact O-CD 3.31Å; T754-R762 WeakPolarHBondContact O-CD 3.33Å; T754-P763 HydrophobicContact CG2-CG 4.05Å; T754-L768 HydrophobicContact CG2-CD1 4.19Å; T754-L768 HydrophobicContact CG2-CD2 4.02Å
755	W	98.7	Very high	97.9	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.015	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	23.4	178.1	-55.9	-34.3	0	0	0	114.1	W702 G705 I706 Y709 R736 M737 M751 L752 N753 A757	W702-W755 AromaticContact CD2-CD1 3.83Å; W702-W755 AromaticContact CE2-CD1 3.96Å; W702-W755 HydrophobicContact CE3-CB 4.06Å; W702-W755 HydrophobicContact CE3-CG 4.49Å; W702-W755 HydrophobicContact CH2-CB 4.05Å; W702-W755 HydrophobicContact CH2-CG 4.49Å; W702-W755 HydrophobicContact CZ3-CB 3.8Å; W702-W755 HydrophobicContact CZ3-CG 4.49Å; W702-W755 VanDerWaalsContact CZ3-O 3.25Å; W702-W755 WeakPolarHBondContact CZ3-O 3.29Å; W702-W755 PolarHBondContact O-NE1 3.17Å; G705-W755 WeakPolarHBondContact O-CZ2 3.33Å; I706-W755 HydrophobicContact CD1-CZ2 3.74Å; Y709-W755 HydrophobicContact CD2-CH2 4.48Å; R736-W755 HydrophobicContact CB-CE3 4.3Å; R736-W755 VanDerWaalsContact CZ-O 3.3Å; R736-W755 PolarHBondContact NE-O 3.46Å; R736-W755 PolarHBondContact NH2-O 3.07Å; M737-W755 HydrophobicContact CB-CH2 4.35Å; M737-W755 HydrophobicContact CB-CZ3 4.32Å; M737-W755 HydrophobicContact CE-CH2 3.58Å; M737-W755 HydrophobicContact CE-CZ2 3.67Å; M737-W755 HydrophobicContact CE-CZ3 4.47Å; M751-W755 HydrophobicContact CB-CE3 4.23Å; M751-W755 HydrophobicContact CB-CH2 3.8Å; M751-W755 HydrophobicContact CB-CZ2 4.16Å; M751-W755 HydrophobicContact CB-CZ3 3.85Å; M751-W755 HydrophobicContact CG-CH2 4.23Å; M751-W755 HydrophobicContact CG-CZ2 4.44Å; M751-W755 VanDerWaalsContact O-CD2 3.25Å; M751-W755 VanDerWaalsContact O-CG 3.28Å; M751-W755 PolarHBondContact O-N 3.42Å; M751-W755 HydrophobicContact SD-CH2 3.82Å; M751-W755 HydrophobicContact SD-CZ2 4.32Å; L752-W755 HydrophobicContact CD2-CE3 4.5Å; L752-W755 CarbonylContact O-C 3.42Å; L752-W755 VanDerWaalsContact O-C 3.32Å; L752-W755 WeakPolarHBondContact O-CA 3.33Å; L752-W755 PolarHBondContact O-N 3.32Å; N753-W755 VanDerWaalsContact C-N 3.27Å; N753-W755 PolarHBondContact O-N 3.34Å; W755-A757 PolarHBondContact O-N 3.43Å
756	D	98.3	Very high	97.9	Very high	58 Å²	58	45.2 Å²	45.2	31%	0.31	25%	0.253	S	S	.	.			trans	-56.7	138.9	171.5	-161.3	-48.3	0	0	0	110.1	L752 K758 C761 R762	L752-D756 PolarHBondContact O-N 2.83Å; D756-K758 PolarHBondContact O-N 3.14Å; D756-K758 WeakPolarHBondContact OD1-CB 3.45Å; D756-K758 PolarHBondContact OD1-N 3.43Å; D756-C761 HydrophobicContact CB-CB 4.12Å; D756-C761 WeakPolarHBondContact OD2-CB 3.48Å; D756-R762 HydrophobicContact CB-CG 3.93Å; D756-R762 PolarHBondContact O-NE 3.19Å; D756-R762 PolarHBondContact O-NH2 3.34Å
757	A	97.1	Very high	98	Very high	69 Å²	69	48.3 Å²	48.3	57%	0.57	26%	0.262	S	S	*	.	S	Bend	trans	-61.8	-30.5	175.1	0	0	0	0	0	111.8	W755 P759	W755-A757 PolarHBondContact O-N 3.43Å; A757-P759 WeakPolarHBondContact O-CD 3.31Å
758	K	97.1	Very high	98.1	Very high	116 Å²	116	48.3 Å²	48.3	50%	0.504	26%	0.262	S	S	.	.	S	Bend	trans	-88.7	114.1	174.2	-72.7	-179.2	179.3	-176	0	110.8	D756 E760 C761	D756-K758 PolarHBondContact O-N 3.14Å; D756-K758 WeakPolarHBondContact OD1-CB 3.45Å; D756-K758 PolarHBondContact OD1-N 3.43Å; K758-E760 HydrophobicContact CB-CG 4.42Å; K758-E760 PolarHBondContact O-N 2.69Å; K758-C761 HydrophobicContact CB-CB 3.95Å; K758-C761 PolarHBondContact O-N 2.89Å; K758-C761 VanDerWaalsContact O-N 3.07Å
759	P	97.5	Very high	98	Very high	26 Å²	26	46.7 Å²	46.7	17%	0.169	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.8	179	-24.6	34.9	0	0	0	113.5	E688 K698 A757 C761 R762	E688-P759 HydrophobicContact CG-CG 3.87Å; K698-P759 HydrophobicContact CB-CB 3.84Å; K698-P759 WeakPolarHBondContact CB-O 3.43Å; K698-P759 VanDerWaalsContact CD-O 3.29Å; K698-P759 WeakPolarHBondContact CD-O 3.29Å; K698-P759 VanDerWaalsContact CG-O 3.24Å; K698-P759 WeakPolarHBondContact CG-O 3.29Å; A757-P759 WeakPolarHBondContact O-CD 3.31Å; P759-C761 VanDerWaalsContact C-N 3.33Å; P759-C761 PolarHBondContact O-N 3.45Å; P759-R762 PolarHBondContact O-N 3.29Å
760	E	96.7	Very high	97.8	Very high	131 Å²	131	46.4 Å²	46.4	61%	0.612	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-27	178	67.5	-82.3	-167.3	0	0	114	K758	K758-E760 HydrophobicContact CB-CG 4.42Å; K758-E760 PolarHBondContact O-N 2.69Å
761	C	98	Very high	97.8	Very high	69 Å²	69	49 Å²	49	47%	0.466	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.9	178.9	-67.3	0	0	0	0	113.1	D756 K758 P759	D756-C761 HydrophobicContact CB-CB 4.12Å; D756-C761 WeakPolarHBondContact OD2-CB 3.48Å; K758-C761 HydrophobicContact CB-CB 3.95Å; K758-C761 PolarHBondContact O-N 2.89Å; K758-C761 VanDerWaalsContact O-N 3.07Å; P759-C761 VanDerWaalsContact C-N 3.33Å; P759-C761 PolarHBondContact O-N 3.45Å
762	R	98.6	Very high	97.6	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.011	27%	0.27	C	S	.	.	S	Bend	trans	-65.6	147.7	174.6	-56.3	174	-166.8	151.6	9.1	110.2	E688 K698 V701 N753 T754 D756 P759	E688-R762 IonicContact OE1-CZ 3.59Å; E688-R762 IonicContact OE1-NH1 3.56Å; E688-R762 PolarHBondContact OE1-NH1 3.3Å; E688-R762 IonicContact OE1-NH2 3Å; E688-R762 IonicContact OE2-CZ 2.67Å; E688-R762 IonicContact OE2-NH1 3.5Å; E688-R762 PolarHBondContact OE2-NH1 3.04Å; E688-R762 IonicContact OE2-NH2 2.7Å; E688-R762 PolarHBondContact OE2-NH2 3.08Å; K698-R762 HydrophobicContact CD-CB 4.41Å; K698-R762 PolarHBondContact NZ-O 3.3Å; K698-R762 WeakPolarHBondContact O-CD 3.27Å; K698-R762 PolarHBondContact O-NH1 3.43Å; V701-R762 HydrophobicContact CG1-CB 3.93Å; N753-R762 WeakPolarHBondContact O-CA 3.44Å; T754-R762 VanDerWaalsContact O-CD 3.31Å; T754-R762 WeakPolarHBondContact O-CD 3.33Å; D756-R762 HydrophobicContact CB-CG 3.93Å; D756-R762 PolarHBondContact O-NE 3.19Å; D756-R762 PolarHBondContact O-NH2 3.34Å; P759-R762 PolarHBondContact O-N 3.29Å
763	P	98.5	Very high	97.3	Very high	21 Å²	21	48.5 Å²	48.5	14%	0.136	27%	0.265	C	S	.	.			trans	-64	174.3	-179.5	25.2	-34.3	0	0	0	113.8	K698 V701 N753 T754 F767 L768	K698-P763 PolarHBondContact NZ-O 3.26Å; V701-P763 HydrophobicContact CG1-CG 4.15Å; N753-P763 WeakPolarHBondContact O-CD 3.43Å; T754-P763 HydrophobicContact CG2-CG 4.05Å; P763-F767 HydrophobicContact CB-CD1 3.68Å; P763-F767 HydrophobicContact CB-CE1 4.33Å; P763-F767 HydrophobicContact CB-CG 4.39Å; P763-L768 HydrophobicContact CB-CD2 4.48Å; P763-L768 HydrophobicContact CB-CG 4.2Å; P763-L768 HydrophobicContact CG-CD1 4.01Å; P763-L768 HydrophobicContact CG-CD2 3.89Å; P763-L768 HydrophobicContact CG-CG 3.95Å
764	T	98.5	Very high	96.9	Very high	59 Å²	59	47.4 Å²	47.4	36%	0.362	26%	0.259	S	S	.	.			trans	-88.5	158.2	165	54.6	0	0	0	0	110.3	E632 A766 F767 L768	E632-T764 WeakPolarHBondContact OE1-CA 3.22Å; E632-T764 WeakPolarHBondContact OE1-CB 3.29Å; T764-A766 VanDerWaalsContact C-N 3.28Å; T764-A766 PolarHBondContact O-N 2.75Å; T764-F767 PolarHBondContact O-N 3.32Å; T764-F767 WeakPolarHBondContact OG1-CB 3.2Å; T764-F767 PolarHBondContact OG1-N 3.14Å; T764-L768 WeakPolarHBondContact O-CG 3.44Å; T764-L768 PolarHBondContact O-N 2.93Å; T764-L768 VanDerWaalsContact O-N 3.11Å
765	F	98.6	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-32	172.6	-80	-70.3	0	0	0	112.3	M628 A629 E632 L641 I697 D700 V701 F704 F767 L768 C769	M628-F765 HydrophobicContact CB-CB 4.17Å; M628-F765 HydrophobicContact CB-CD1 3.3Å; M628-F765 HydrophobicContact CB-CD2 3.8Å; M628-F765 HydrophobicContact CB-CE1 3.41Å; M628-F765 VanDerWaalsContact CB-CE1 3.41Å; M628-F765 HydrophobicContact CB-CE2 3.9Å; M628-F765 HydrophobicContact CB-CG 3.49Å; M628-F765 VanDerWaalsContact CB-CG 3.49Å; M628-F765 HydrophobicContact CB-CZ 3.7Å; M628-F765 HydrophobicContact CE-CD2 4.45Å; M628-F765 HydrophobicContact CE-CE2 3.72Å; M628-F765 HydrophobicContact CE-CZ 3.76Å; M628-F765 HydrophobicContact CG-CD1 4.15Å; M628-F765 HydrophobicContact CG-CE1 3.75Å; M628-F765 HydrophobicContact CG-CE2 4.47Å; M628-F765 HydrophobicContact CG-CZ 3.92Å; A629-F765 HydrophobicContact CB-CB 3.89Å; E632-F765 HydrophobicContact CB-CB 4.5Å; E632-F765 HydrophobicContact CB-CD2 4.48Å; E632-F765 VanDerWaalsContact CD-N 3.35Å; E632-F765 PolarHBondContact OE1-N 3.13Å; E632-F765 WeakPolarHBondContact OE2-CA 3.17Å; E632-F765 WeakPolarHBondContact OE2-CB 3.5Å; E632-F765 PolarHBondContact OE2-N 2.88Å; L641-F765 HydrophobicContact CD2-CZ 4.2Å; I697-F765 HydrophobicContact CD1-CD2 3.8Å; I697-F765 HydrophobicContact CD1-CE2 3.7Å; I697-F765 HydrophobicContact CG1-CD2 3.86Å; I697-F765 HydrophobicContact CG1-CE2 3.97Å; D700-F765 HydrophobicContact CB-CE2 4.01Å; D700-F765 HydrophobicContact CB-CZ 4.13Å; V701-F765 HydrophobicContact CB-CE2 4.36Å; V701-F765 HydrophobicContact CB-CZ 4.35Å; V701-F765 HydrophobicContact CG2-CD2 3.73Å; V701-F765 HydrophobicContact CG2-CE1 4.39Å; V701-F765 HydrophobicContact CG2-CE2 3.42Å; V701-F765 VanDerWaalsContact CG2-CE2 3.42Å; V701-F765 HydrophobicContact CG2-CG 4.35Å; V701-F765 HydrophobicContact CG2-CZ 3.8Å; F704-F765 HydrophobicContact CB-CE1 3.63Å; F704-F765 HydrophobicContact CB-CZ 3.96Å; F704-F765 HydrophobicContact CD1-CD1 4.48Å; F704-F765 AromaticContact CD1-CE1 3.92Å; F704-F765 HydrophobicContact CD1-CE1 3.92Å; F704-F765 HydrophobicContact CD2-CE1 4.33Å; F704-F765 AromaticContact CG-CE1 3.7Å; F704-F765 HydrophobicContact CG-CE1 3.7Å; F765-F767 VanDerWaalsContact C-N 3.34Å; F765-F767 PolarHBondContact O-N 2.99Å; F765-L768 HydrophobicContact CD1-CD1 3.96Å; F765-L768 HydrophobicContact CE1-CD1 4.31Å; F765-L768 PolarHBondContact O-N 2.75Å; F765-C769 WeakPolarHBondContact O-CB 3.44Å; F765-C769 PolarHBondContact O-N 2.86Å
766	A	97	Very high	95.9	Very high	45 Å²	45	52.1 Å²	52.1	37%	0.372	28%	0.279	S	S	.	.	H	α-helix	trans	-57.2	-42.7	170.1	0	0	0	0	0	113	E632 T764 N770	E632-A766 PolarHBondContact OE2-N 3.05Å; E632-A766 VanDerWaalsContact OE2-N 3.1Å; T764-A766 VanDerWaalsContact C-N 3.28Å; T764-A766 PolarHBondContact O-N 2.75Å; A766-N770 PolarHBondContact O-N 2.7Å; A766-N770 PolarHBondContact O-OD1 2.93Å
767	F	97.9	Very high	95	Very high	103 Å²	103	51.8 Å²	51.8	45%	0.452	28%	0.279	S	S	.	.	H	α-helix	trans	-64.9	-46.9	174.6	172.4	-90.8	0	0	0	111.8	I750 P763 T764 F765 C769 N770 Y771	I750-F767 HydrophobicContact CD1-CE1 4.05Å; P763-F767 HydrophobicContact CB-CD1 3.68Å; P763-F767 HydrophobicContact CB-CE1 4.33Å; P763-F767 HydrophobicContact CB-CG 4.39Å; T764-F767 PolarHBondContact O-N 3.32Å; T764-F767 WeakPolarHBondContact OG1-CB 3.2Å; T764-F767 PolarHBondContact OG1-N 3.14Å; F765-F767 VanDerWaalsContact C-N 3.34Å; F765-F767 PolarHBondContact O-N 2.99Å; F767-C769 VanDerWaalsContact C-N 3.31Å; F767-C769 PolarHBondContact O-N 2.82Å; F767-N770 PolarHBondContact O-N 3.23Å; F767-Y771 HydrophobicContact CZ-CD2 4.49Å; F767-Y771 WeakPolarHBondContact O-CB 3.17Å; F767-Y771 PolarHBondContact O-N 2.91Å
768	L	98.4	Very high	93.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-38	-179.6	-70.5	162.8	0	0	0	112.3	A625 V701 F704 I750 T754 P763 T764 F765 F772	A625-L768 HydrophobicContact CB-CB 4.2Å; V701-L768 HydrophobicContact CG1-CD1 4.14Å; F704-L768 HydrophobicContact CD1-CD1 3.76Å; F704-L768 HydrophobicContact CE1-CB 4.14Å; F704-L768 HydrophobicContact CE1-CD1 4Å; F704-L768 HydrophobicContact CE1-CD2 4.27Å; F704-L768 HydrophobicContact CE1-CG 4.37Å; I750-L768 HydrophobicContact CG2-CD2 3.54Å; T754-L768 HydrophobicContact CG2-CD1 4.19Å; T754-L768 HydrophobicContact CG2-CD2 4.02Å; P763-L768 HydrophobicContact CB-CD2 4.48Å; P763-L768 HydrophobicContact CB-CG 4.2Å; P763-L768 HydrophobicContact CG-CD1 4.01Å; P763-L768 HydrophobicContact CG-CD2 3.89Å; P763-L768 HydrophobicContact CG-CG 3.95Å; T764-L768 WeakPolarHBondContact O-CG 3.44Å; T764-L768 PolarHBondContact O-N 2.93Å; T764-L768 VanDerWaalsContact O-N 3.11Å; F765-L768 HydrophobicContact CD1-CD1 3.96Å; F765-L768 HydrophobicContact CE1-CD1 4.31Å; F765-L768 PolarHBondContact O-N 2.75Å; L768-F772 HydrophobicContact CD2-CE2 4.33Å; L768-F772 WeakPolarHBondContact O-CD2 3.4Å; L768-F772 PolarHBondContact O-N 3.29Å; L768-F772 VanDerWaalsContact O-N 3.1Å
769	C	97	Very high	91.8	Very high	13 Å²	13	48.9 Å²	48.9	9%	0.088	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-56.6	175.1	-171.6	0	0	0	0	110.7	A625 F765 F767 Y771 F772 E773	A625-C769 HydrophobicContact CB-CB 4.1Å; F765-C769 WeakPolarHBondContact O-CB 3.44Å; F765-C769 PolarHBondContact O-N 2.86Å; F767-C769 VanDerWaalsContact C-N 3.31Å; F767-C769 PolarHBondContact O-N 2.82Å; C769-Y771 VanDerWaalsContact C-N 3.3Å; C769-Y771 PolarHBondContact O-N 3.37Å; C769-F772 PolarHBondContact O-N 2.95Å; C769-E773 WeakPolarHBondContact O-CG 3.35Å; C769-E773 PolarHBondContact O-N 3.41Å
770	N	94	Very high	89.8	Confident	105 Å²	105	51.1 Å²	51.1	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-58.6	-42.8	179.9	-63.9	-5.4	0	0	0	111.7	A766 F767 F772 E773 D774	A766-N770 PolarHBondContact O-N 2.7Å; A766-N770 PolarHBondContact O-OD1 2.93Å; F767-N770 PolarHBondContact O-N 3.23Å; N770-F772 PolarHBondContact O-N 2.79Å; N770-E773 PolarHBondContact O-N 3.48Å; N770-D774 PolarHBondContact O-N 3.25Å
771	Y	96.3	Very high	87.3	Confident	61 Å²	61	51.5 Å²	51.5	24%	0.239	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-48.6	178.5	178.6	-84.2	0	0	0	112.4	S746 I750 F767 C769 Y775	S746-Y771 WeakPolarHBondContact CB-OH 3.29Å; S746-Y771 PolarHBondContact O-OH 3.44Å; S746-Y771 VanDerWaalsContact O-OH 3.12Å; I750-Y771 HydrophobicContact CD1-CD1 4.29Å; I750-Y771 HydrophobicContact CD1-CD2 3.99Å; I750-Y771 HydrophobicContact CD1-CE1 4.23Å; I750-Y771 HydrophobicContact CD1-CE2 3.89Å; I750-Y771 HydrophobicContact CD1-CG 4.2Å; I750-Y771 HydrophobicContact CG1-CD1 3.92Å; I750-Y771 HydrophobicContact CG1-CD2 4.32Å; I750-Y771 HydrophobicContact CG1-CE1 3.51Å; I750-Y771 HydrophobicContact CG1-CE2 3.91Å; I750-Y771 HydrophobicContact CG1-CG 4.32Å; I750-Y771 VanDerWaalsContact CG1-CZ 3.49Å; F767-Y771 HydrophobicContact CZ-CD2 4.49Å; F767-Y771 WeakPolarHBondContact O-CB 3.17Å; F767-Y771 PolarHBondContact O-N 2.91Å; C769-Y771 VanDerWaalsContact C-N 3.3Å; C769-Y771 PolarHBondContact O-N 3.37Å; Y771-Y775 AromaticContact CE1-CD2 3.72Å; Y771-Y775 HydrophobicContact CE1-CD2 3.72Å; Y771-Y775 HydrophobicContact CE1-CE2 4.21Å; Y771-Y775 WeakPolarHBondContact O-CA 3.4Å; Y771-Y775 WeakPolarHBondContact O-CB 3.26Å; Y771-Y775 PolarHBondContact O-N 3.19Å
772	F	96.4	Very high	84.4	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-77.5	-28	-178.9	-71.5	-60.1	0	0	0	113.1	I618 M621 A622 F704 I708 I747 I750 L768 C769 N770	I618-F772 HydrophobicContact CG2-CB 4.34Å; I618-F772 HydrophobicContact CG2-CD1 4.1Å; I618-F772 WeakPolarHBondContact CG2-O 3.44Å; M621-F772 HydrophobicContact CB-CB 4.46Å; M621-F772 HydrophobicContact CB-CD1 4.23Å; M621-F772 HydrophobicContact CB-CD2 3.98Å; M621-F772 HydrophobicContact CB-CE1 4.5Å; M621-F772 HydrophobicContact CB-CE2 4.28Å; M621-F772 HydrophobicContact CB-CG 3.97Å; M621-F772 HydrophobicContact SD-CD1 4.06Å; M621-F772 HydrophobicContact SD-CE1 3.67Å; M621-F772 HydrophobicContact SD-CZ 3.98Å; A622-F772 HydrophobicContact CB-CB 3.72Å; F704-F772 HydrophobicContact CE1-CD2 4.43Å; F704-F772 AromaticContact CE1-CE2 3.94Å; F704-F772 HydrophobicContact CE1-CE2 3.94Å; F704-F772 HydrophobicContact CZ-CD2 4.37Å; F704-F772 HydrophobicContact CZ-CE2 4.15Å; I708-F772 HydrophobicContact CD1-CE2 3.8Å; I708-F772 HydrophobicContact CD1-CZ 3.73Å; I708-F772 HydrophobicContact CG1-CE2 4.38Å; I708-F772 HydrophobicContact CG1-CZ 4.24Å; I747-F772 HydrophobicContact CG2-CE1 4.32Å; I750-F772 HydrophobicContact CB-CZ 4.43Å; I750-F772 HydrophobicContact CG2-CE2 4.07Å; I750-F772 HydrophobicContact CG2-CZ 3.79Å; L768-F772 HydrophobicContact CD2-CE2 4.33Å; L768-F772 WeakPolarHBondContact O-CD2 3.4Å; L768-F772 PolarHBondContact O-N 3.29Å; L768-F772 VanDerWaalsContact O-N 3.1Å; C769-F772 PolarHBondContact O-N 2.95Å; N770-F772 PolarHBondContact O-N 2.79Å
773	E	91.5	Very high	81.2	Confident	48 Å²	48	62.7 Å²	62.7	22%	0.224	34%	0.335	C	S	.	.	H	α-helix	trans	-70.1	-39.4	174.1	-73.4	-153.8	129.5	0	0	113	K406 R410 A622 C769 N770	K406-E773 VanDerWaalsContact CB-OE1 3.27Å; K406-E773 WeakPolarHBondContact CB-OE1 3.39Å; K406-E773 HydrophobicContact CD-CB 4.11Å; K406-E773 WeakPolarHBondContact CE-O 3.43Å; K406-E773 HydrophobicContact CG-CB 4.06Å; K406-E773 HydrophobicContact CG-CG 4.22Å; K406-E773 PolarHBondContact NZ-O 3.05Å; R410-E773 IonicContact CZ-OE1 2.72Å; R410-E773 IonicContact NH1-OE1 3.4Å; R410-E773 PolarHBondContact NH1-OE1 3.43Å; R410-E773 VanDerWaalsContact NH1-OE1 3.09Å; R410-E773 IonicContact NH2-OE1 2.69Å; R410-E773 PolarHBondContact NH2-OE1 3.44Å; A622-E773 HydrophobicContact CB-CG 3.66Å; C769-E773 WeakPolarHBondContact O-CG 3.35Å; C769-E773 PolarHBondContact O-N 3.41Å; N770-E773 PolarHBondContact O-N 3.48Å
774	D	90.2	Very high	77.9	Confident	61 Å²	61	72.6 Å²	72.6	33%	0.326	37%	0.37	S	S	.	.	H	α-helix	trans	-96.5	0.4	179.2	-78.6	-31.8	0	0	0	114.8	K406 N770 F776 T777 S778	K406-D774 VanDerWaalsContact CE-OD1 3.24Å; K406-D774 WeakPolarHBondContact CE-OD1 3.22Å; K406-D774 IonicContact NZ-OD1 3.23Å; K406-D774 PolarHBondContact NZ-OD1 2.96Å; N770-D774 PolarHBondContact O-N 3.25Å; D774-F776 VanDerWaalsContact C-N 3.32Å; D774-F776 PolarHBondContact O-N 3.25Å; D774-T777 WeakPolarHBondContact O-CA 3.36Å; D774-T777 PolarHBondContact O-N 2.95Å; D774-S778 PolarHBondContact O-N 3.38Å; D774-S778 PolarHBondContact O-OG 3.49Å
775	Y	91.2	Very high	74.7	Confident	27 Å²	27	76 Å²	76	11%	0.106	39%	0.393	C	S	.	.	H	α-helix	trans	-38	-53	-177.1	-178.1	-89.3	0	0	0	114.8	I618 P744 S746 I747 Y771 A779	I618-Y775 HydrophobicContact CD1-CD1 3.47Å; I618-Y775 VanDerWaalsContact CD1-CD1 3.47Å; I618-Y775 HydrophobicContact CD1-CD2 4.4Å; I618-Y775 HydrophobicContact CD1-CE1 3.42Å; I618-Y775 VanDerWaalsContact CD1-CE1 3.42Å; I618-Y775 HydrophobicContact CD1-CE2 4.35Å; I618-Y775 HydrophobicContact CD1-CG 3.99Å; I618-Y775 HydrophobicContact CG2-CD1 4.48Å; I618-Y775 HydrophobicContact CG2-CG 4.26Å; P744-Y775 VanDerWaalsContact CB-OH 3.31Å; P744-Y775 WeakPolarHBondContact CB-OH 3.38Å; S746-Y775 PolarHBondContact OG-OH 2.9Å; I747-Y775 HydrophobicContact CD1-CE2 4.08Å; I747-Y775 HydrophobicContact CG1-CE2 3.57Å; Y771-Y775 AromaticContact CE1-CD2 3.72Å; Y771-Y775 HydrophobicContact CE1-CD2 3.72Å; Y771-Y775 HydrophobicContact CE1-CE2 4.21Å; Y771-Y775 WeakPolarHBondContact O-CA 3.4Å; Y771-Y775 WeakPolarHBondContact O-CB 3.26Å; Y771-Y775 PolarHBondContact O-N 3.19Å; Y775-A779 WeakPolarHBondContact O-CB 3.34Å; Y775-A779 PolarHBondContact O-N 3.19Å; Y775-A779 VanDerWaalsContact O-N 3.15Å
776	F	84.5	Confident	71.5	Confident	76 Å²	76	80.3 Å²	80.3	33%	0.333	43%	0.429	S	S	.	.	H	α-helix	trans	-73.6	-32.5	-179.1	-69.7	-77.6	0	0	0	113	K615 I618 D774 E780	K615-F776 HydrophobicContact CB-CE2 3.93Å; K615-F776 HydrophobicContact CB-CZ 3.79Å; K615-F776 HydrophobicContact CG-CD2 4.46Å; K615-F776 HydrophobicContact CG-CE2 3.88Å; K615-F776 HydrophobicContact CG-CZ 4.21Å; I618-F776 HydrophobicContact CB-CE2 4.27Å; I618-F776 HydrophobicContact CD1-CE2 3.88Å; I618-F776 HydrophobicContact CD1-CZ 3.78Å; I618-F776 HydrophobicContact CG2-CE2 4.26Å; D774-F776 VanDerWaalsContact C-N 3.32Å; D774-F776 PolarHBondContact O-N 3.25Å; F776-E780 WeakPolarHBondContact O-CG 3.44Å; F776-E780 PolarHBondContact O-N 3.16Å
777	T	79.1	Confident	68.5	Low	50 Å²	50	84 Å²	84	31%	0.307	44%	0.442	S	S	.	.	H	α-helix	trans	-74.4	-38	178.7	-55	0	0	0	0	111.8	D774 L781	D774-T777 WeakPolarHBondContact O-CA 3.36Å; D774-T777 PolarHBondContact O-N 2.95Å; T777-L781 PolarHBondContact O-N 3.11Å
778	S	69.8	Low	65.6	Low	70 Å²	70	88.3 Å²	88.3	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-70.1	-37.4	174.6	-58.9	0	0	0	0	112.4	D774 E780 L781 S782	D774-S778 PolarHBondContact O-N 3.38Å; D774-S778 PolarHBondContact O-OG 3.49Å; S778-E780 VanDerWaalsContact C-N 3.31Å; S778-E780 PolarHBondContact O-N 2.79Å; S778-L781 PolarHBondContact O-N 3.5Å; S778-S782 PolarHBondContact O-OG 3.01Å
779	A	58.9	Low	62.5	Low	54 Å²	54	96.6 Å²	96.6	45%	0.446	50%	0.501	S	S	.	.	H	α-helix	trans	-61.2	-38.8	175.3	0	0	0	0	0	112.3	Y775 L781 S782	Y775-A779 WeakPolarHBondContact O-CB 3.34Å; Y775-A779 PolarHBondContact O-N 3.19Å; Y775-A779 VanDerWaalsContact O-N 3.15Å; A779-L781 PolarHBondContact O-N 3.49Å; A779-S782 WeakPolarHBondContact O-CB 3.44Å; A779-S782 PolarHBondContact O-N 2.91Å; A779-S782 PolarHBondContact O-OG 2.9Å
780	E	53.7	Low	59.6	Low	73 Å²	73	104 Å²	104	34%	0.341	53%	0.534	S	S	.	.	H	α-helix	trans	-68	-32.4	179.6	-72.3	166.9	166.6	0	0	113.8	R445 F776 S778 S782	R445-E780 IonicContact CZ-OE1 3.53Å; R445-E780 IonicContact CZ-OE2 3.58Å; R445-E780 VanDerWaalsContact CZ-OE2 3.23Å; R445-E780 IonicContact NE-OE1 2.89Å; R445-E780 IonicContact NH1-OE1 3.36Å; R445-E780 PolarHBondContact NH1-OE1 3.44Å; R445-E780 IonicContact NH1-OE2 3.44Å; R445-E780 PolarHBondContact NH1-OE2 3.06Å; R445-E780 VanDerWaalsContact NH2-CD 3.25Å; R445-E780 IonicContact NH2-OE1 3.57Å; R445-E780 IonicContact NH2-OE2 2.82Å; R445-E780 PolarHBondContact NH2-OE2 3.23Å; F776-E780 WeakPolarHBondContact O-CG 3.44Å; F776-E780 PolarHBondContact O-N 3.16Å; S778-E780 VanDerWaalsContact C-N 3.31Å; S778-E780 PolarHBondContact O-N 2.79Å; E780-S782 PolarHBondContact O-N 3.26Å
781	L	44.8	Very low	56.9	Low	140 Å²	140	104 Å²	104	73%	0.733	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-4	177.2	-71.8	168.2	0	0	0	113.6	T777 S778 A779 Y783	T777-L781 PolarHBondContact O-N 3.11Å; S778-L781 PolarHBondContact O-N 3.5Å; A779-L781 PolarHBondContact O-N 3.49Å; L781-Y783 VanDerWaalsContact C-N 3.28Å; L781-Y783 PolarHBondContact O-N 3.33Å
782	S	37.2	Very low	53.8	Low	97 Å²	97	108.5 Å²	108.5	68%	0.678	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-3.5	178.5	-55.8	0	0	0	0	114.1	S778 A779 E780	S778-S782 PolarHBondContact O-OG 3.01Å; A779-S782 WeakPolarHBondContact O-CB 3.44Å; A779-S782 PolarHBondContact O-N 2.91Å; A779-S782 PolarHBondContact O-OG 2.9Å; E780-S782 PolarHBondContact O-N 3.26Å
783	Y	31.6	Very low	51.1	Low	210 Å²	210	116.1 Å²	116.1	82%	0.824	61%	0.609	S	S	*	*	S	Bend	trans	-75.9	127.6	175	-91.9	-97.2	0	0	0	111.4	L781	L781-Y783 VanDerWaalsContact C-N 3.28Å; L781-Y783 PolarHBondContact O-N 3.33Å
784	R	29.8	Very low	48.5	Very low	228 Å²	228	121 Å²	121	86%	0.86	64%	0.636	S	S	*	*			trans	-61.4	148.2	174.8	-69.6	178.1	176.1	162	-1.6	110.7	A786	R784-A786 PolarHBondContact O-N 3.48Å
785	P	31.3	Very low	46.2	Very low	131 Å²	131	124.6 Å²	124.6	85%	0.851	66%	0.655	S	S	*	*			trans	-64	111.4	173.4	27	-33.9	0	0	0	110.2	D787	P785-D787 PolarHBondContact O-N 3.15Å
786	A	31.1	Very low	43.8	Very low	91 Å²	91	130.9 Å²	130.9	75%	0.752	69%	0.686	S	S	*	*			trans	-77.6	103.3	159.8	0	0	0	0	0	107.7	R784	R784-A786 PolarHBondContact O-N 3.48Å
787	D	33.5	Very low	41.7	Very low	122 Å²	122	132.9 Å²	132.9	65%	0.652	70%	0.7	S	S	*	*			trans	178.8	77.9	147	-94.7	-23.2	0	0	0	111.1	P785 H789	P785-D787 PolarHBondContact O-N 3.15Å; D787-H789 IonicContact OD1-CD2 3.69Å
788	H	36.5	Very low	39.6	Very low	194 Å²	194	137.8 Å²	137.8	90%	0.898	72%	0.724	S	S	*	*			trans	-120.1	59.4	156.4	-83.2	9.1	0	0	0	108.9	H790	H788-H790 PolarHBondContact O-N 3.05Å
789	H	34.4	Very low	38.1	Very low	173 Å²	173	141.2 Å²	141.2	80%	0.801	74%	0.737	S	S	*	*			trans	-68.2	80	167.9	-88.7	-59.8	0	0	0	110.2	D787	D787-H789 IonicContact OD1-CD2 3.69Å
790	H	36.3	Very low	36.9	Very low	169 Å²	169	146.4 Å²	146.4	78%	0.782	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-69.8	126.9	166.2	-149.9	-71.2	0	0	0	108.4	H788	H788-H790 PolarHBondContact O-N 3.05Å
791	P	36.2	Very low	36	Very low	106 Å²	106	146.7 Å²	146.7	69%	0.688	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-67.2	145.3	178.8	27.3	-34.3	0	0	0	110.8
792	N	32.4	Very low	35.4	Very low	154 Å²	154	147.4 Å²	147.4	82%	0.824	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-56.6	135.2	-179.5	-59	-34.9	0	0	0	111.7
793	N	39.5	Very low	35.1	Very low	164 Å²	164	151 Å²	151	88%	0.877	79%	0.786	S	S	*	*			trans	-142.5	157.5	141.7	-100.1	-34.4	0	0	0	108.7
794	L	35.9	Very low	35.2	Very low	151 Å²	151	148.5 Å²	148.5	79%	0.791	78%	0.781	S	S	*	*			trans	-93.3	176.5	-163.2	-67.8	149.4	0	0	0	112.7
795	D	41.6	Very low	35.1	Very low	136 Å²	136	141.9 Å²	141.9	73%	0.727	77%	0.769	S	S	*	*			trans	91.1	93.9	157	-51.8	-26.6	0	0	0	119
796	E	41.6	Very low	35.3	Very low	159 Å²	159	143.9 Å²	143.9	74%	0.743	77%	0.767	S	S	*	*				76.9	119.5	118.5	-74.7	-161.4	-164.4	0	0	122.8
797	N	39.8	Very low	35.4	Very low	119 Å²	119	146.3 Å²	146.3	64%	0.636	77%	0.767	S	S	*	*			trans	81.5	96.8	136.8	-50	-18.1	0	0	0	120.7
798	D	36.6	Very low	35.4	Very low	153 Å²	153	147.4 Å²	147.4	82%	0.818	77%	0.773	S	S	*	*				74.8	142.4	121.3	-62.5	-12.1	0	0	0	124.9
799	D	38.3	Very low	35.3	Very low	141 Å²	141	143.1 Å²	143.1	75%	0.754	76%	0.76	S	S	*	*			trans	77.3	109.3	152.8	-95.9	-1.1	0	0	0	124.4
800	L	33.7	Very low	35.4	Very low	164 Å²	164	141.7 Å²	141.7	86%	0.859	76%	0.759	S	S	*	*				45.3	107.8	128.1	-66.5	171.5	0	0	0	120
801	G	34.2	Very low	35.3	Very low	79 Å²	79	140 Å²	140	81%	0.814	76%	0.755	S	S	*	*			trans	-168.5	61.7	171.3	0	0	0	0	0	117
802	I	31.8	Very low	35.5	Very low	155 Å²	155	143.3 Å²	143.3	80%	0.795	76%	0.762	S	S	*	*			trans	-71.2	129.9	165.6	-62.6	170.7	0	0	0	108.7
803	F	31.2	Very low	35.6	Very low	171 Å²	171	141.9 Å²	141.9	75%	0.75	75%	0.754	S	S	*	*				-178	127.8	124.8	-112.1	-84.7	0	0	0	116.1
804	H	33	Very low	35.6	Very low	158 Å²	158	142.6 Å²	142.6	73%	0.731	75%	0.751	S	S	*	*			trans	71.3	149	147.5	-92.7	19.7	0	0	0	124.6
805	C	29.2	Very low	35.7	Very low	90 Å²	90	143.3 Å²	143.3	61%	0.608	75%	0.75	S	S	*	*			trans	-88	175.3	-178.5	56.3	0	0	0	0	113.8
806	H	35	Very low	35.5	Very low	172 Å²	172	145.2 Å²	145.2	80%	0.796	75%	0.752	S	S	*	*				-160.5	151.5	119.7	-105.8	76.6	0	0	0	111.8
807	N	33.2	Very low	35.4	Very low	142 Å²	142	146 Å²	146	76%	0.759	76%	0.755	S	S	*	*			trans	-106.9	148.9	178.5	-75.7	-13.7	0	0	0	111.8
808	N	33.6	Very low	35	Very low	145 Å²	145	149.7 Å²	149.7	78%	0.775	77%	0.766	S	S	*	*			trans	167.1	114.1	134.9	-88.8	-2.1	0	0	0	110.2
809	T	33.6	Very low	34.9	Very low	104 Å²	104	147.5 Å²	147.5	64%	0.638	76%	0.76	S	S	*	*				62.2	109	82	66.5	0	0	0	0	115.8
810	N	36.8	Very low	34.5	Very low	144 Å²	144	145.7 Å²	145.7	77%	0.77	76%	0.758	S	S	*	*				172.7	141	108.6	-85.2	-31.1	0	0	0	115.4
811	N	34.9	Very low	34.6	Very low	132 Å²	132	147.4 Å²	147.4	71%	0.706	76%	0.762	S	S	*	*			trans	7.7	135.2	152.8	-50.7	-11.2	0	0	0	121.6
812	H	39.1	Very low	34.4	Very low	177 Å²	177	149 Å²	149	82%	0.819	76%	0.76	S	S	*	*				-167.1	175	97.1	-109.7	-60.3	0	0	0	114.2
813	D	35.3	Very low	34.4	Very low	124 Å²	124	149.5 Å²	149.5	66%	0.663	76%	0.764	S	S	*	*			trans	-86.5	156.6	-164.3	-46.4	-106.8	0	0	0	115.6
814	H	39.8	Very low	34.3	Very low	178 Å²	178	148.4 Å²	148.4	82%	0.824	77%	0.765	S	S	*	*				-173.8	162.2	109.5	-101	-22	0	0	0	115.7
815	H	38.2	Very low	34.1	Very low	166 Å²	166	145.4 Å²	145.4	77%	0.769	76%	0.762	S	S	*	*			trans	-54.2	165.6	175	-53.4	-73.9	0	0	0	114
816	K	37.3	Very low	34.2	Very low	176 Å²	176	148.8 Å²	148.8	77%	0.765	77%	0.769	S	S	*	*			cis	-177	164.7	40.7	-145.4	165.8	-172.2	176.2	0	112.5
817	H	38.3	Very low	34	Very low	175 Å²	175	148 Å²	148	81%	0.81	77%	0.771	S	S	*	*			trans	78.4	142.7	163.3	-72.6	-74.7	0	0	0	122.3
818	K	31.2	Very low	33.8	Very low	197 Å²	197	146 Å²	146	86%	0.857	77%	0.774	S	S	*	*			trans	-109.4	178.1	178.8	-106.3	-177.1	179.3	179.3	0	108.4
819	P	35.8	Very low	33.8	Very low	107 Å²	107	143.3 Å²	143.3	70%	0.695	77%	0.772	S	S	*	*			cis	-139.7	170.3	17.7	41.9	-23.3	0	0	0	118.3
820	S	29.7	Very low	33.8	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	78%	0.782	S	S	*	*			trans	48.1	110	143.9	62.6	0	0	0	0	121.6
821	Q	35.8	Very low	33.6	Very low	201 Å²	201	147.4 Å²	147.4	94%	0.939	79%	0.787	S	S	*	*				-150.3	163.6	124.7	-112	172.3	33	0	0	110.6
822	S	29.3	Very low	33.4	Very low	111 Å²	111	151 Å²	151	78%	0.776	79%	0.792	S	S	*	*			trans	-87	144.4	-173.1	54.4	0	0	0	0	113.4
823	L	32.7	Very low	33.1	Very low	167 Å²	167	148 Å²	148	87%	0.874	78%	0.782	S	S	*	*			trans	-157.4	-175.6	151.5	-113.2	167	0	0	0	112.2
824	L	29	Very low	32.9	Very low	147 Å²	147	150.2 Å²	150.2	77%	0.77	79%	0.788	S	S	*	*			trans	-100.3	161.2	-155.6	-74	157.6	0	0	0	115.5
825	S	28.8	Very low	32.7	Very low	95 Å²	95	151.7 Å²	151.7	66%	0.664	79%	0.787	S	S	*	*			trans	66.6	147.1	143.4	51.8	0	0	0	0	121.6
826	Q	30.7	Very low	32.4	Very low	162 Å²	162	150.3 Å²	150.3	76%	0.757	79%	0.785	S	S	*	*			trans	61.5	107.9	156.3	-72.3	161.2	-44.4	0	0	117.6
827	D	30.1	Very low	32.4	Very low	155 Å²	155	148 Å²	148	83%	0.829	79%	0.786	S	S	*	*				179.7	151.4	96.8	-94.2	-24.7	0	0	0	112.9
828	A	29.4	Very low	32	Very low	100 Å²	100	146.4 Å²	146.4	83%	0.826	78%	0.784	S	S	*	*			trans	-150.7	48.7	174.9	0	0	0	0	0	111.5
829	A	33.7	Very low	32.3	Very low	89 Å²	89	143.1 Å²	143.1	74%	0.736	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-70.1	131	173.5	0	0	0	0	0	110.8
830	I	34.8	Very low	32.1	Very low	165 Å²	165	145.3 Å²	145.3	85%	0.846	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-76.1	127.8	177.3	-63.6	176.3	0	0	0	109.4	Y832	I830-Y832 PolarHBondContact O-N 3.35Å
831	L	31.6	Very low	32.3	Very low	168 Å²	168	145.6 Å²	145.6	88%	0.88	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67.2	126.7	178.6	-76.3	161.7	0	0	0	111.9
832	Y	30.3	Very low	32.3	Very low	208 Å²	208	144.9 Å²	144.9	82%	0.816	78%	0.782	S	S	*	*			trans	-97.4	106.9	166.5	-129.8	-83.9	0	0	0	108.4	I830 Q834	I830-Y832 PolarHBondContact O-N 3.35Å; Y832-Q834 PolarHBondContact O-N 3.36Å; Y832-Q834 VanDerWaalsContact O-N 3.15Å
833	D	33.7	Very low	32.5	Very low	115 Å²	115	150.8 Å²	150.8	62%	0.615	79%	0.787	S	S	*	*			trans	-78.6	96.8	178.7	-170.5	5.3	0	0	0	110.7	R835	D833-R835 WeakPolarHBondContact OD1-CG 3.22Å; D833-R835 IonicContact OD1-NE 3.9Å; D833-R835 IonicContact OD2-CZ 3.5Å; D833-R835 IonicContact OD2-NE 2.8Å; D833-R835 PolarHBondContact OD2-NE 2.89Å; D833-R835 IonicContact OD2-NH2 2.68Å; D833-R835 PolarHBondContact OD2-NH2 2.86Å
834	Q	31.4	Very low	32.7	Very low	169 Å²	169	150.2 Å²	150.2	79%	0.79	79%	0.785	S	S	*	*			trans	-92.7	87.2	169	-73.7	-165.6	-1.2	0	0	111.2	Y832 N836	Y832-Q834 PolarHBondContact O-N 3.36Å; Y832-Q834 VanDerWaalsContact O-N 3.15Å; Q834-N836 PolarHBondContact O-N 3.16Å; Q834-N836 VanDerWaalsContact O-N 3.16Å
835	R	35.7	Very low	33	Very low	209 Å²	209	151.1 Å²	151.1	79%	0.789	79%	0.785	S	S	*	*			trans	-78.2	98.7	168.8	-61.7	-165.5	-173.8	-158.3	-3.5	111.2	D833	D833-R835 WeakPolarHBondContact OD1-CG 3.22Å; D833-R835 IonicContact OD1-NE 3.9Å; D833-R835 IonicContact OD2-CZ 3.5Å; D833-R835 IonicContact OD2-NE 2.8Å; D833-R835 PolarHBondContact OD2-NE 2.89Å; D833-R835 IonicContact OD2-NH2 2.68Å; D833-R835 PolarHBondContact OD2-NH2 2.86Å
836	N	30.1	Very low	33.5	Very low	138 Å²	138	155 Å²	155	74%	0.738	79%	0.793	S	S	*	*			trans	-95.4	114.4	174	-169.2	0.5	0	0	0	110.5	Q834	Q834-N836 PolarHBondContact O-N 3.16Å; Q834-N836 VanDerWaalsContact O-N 3.16Å
837	T	37.7	Very low	33.7	Very low	128 Å²	128	152.6 Å²	152.6	79%	0.785	79%	0.793	S	S	*	*			trans	-136.9	110.8	172.3	51.5	0	0	0	0	111
838	N	31.3	Very low	34.4	Very low	141 Å²	141	151.6 Å²	151.6	75%	0.754	80%	0.795	S	S	*	*			trans	-65.4	144.4	174.2	-74.8	-53.5	0	0	0	112.4
839	T	36.2	Very low	34.7	Very low	127 Å²	127	151.6 Å²	151.6	78%	0.779	79%	0.789	S	S	*	*				-172.8	118.5	119.9	18	0	0	0	0	114.6
840	N	33.2	Very low	35.1	Very low	154 Å²	154	156.1 Å²	156.1	82%	0.824	80%	0.795	S	S	*	*			trans	50	99.2	136.7	-69.7	-20.3	0	0	0	122.4
841	S	32.8	Very low	35.4	Very low	108 Å²	108	156.2 Å²	156.2	76%	0.755	79%	0.791	S	S	*	*				114.4	150	103.1	-148.8	0	0	0	0	120.4
842	K	36.4	Very low	35.5	Very low	187 Å²	187	156.1 Å²	156.1	81%	0.813	78%	0.784	S	S	*	*			trans	76.3	90	165.4	-61.3	-174.3	-178.7	176.5	0	120.6
843	R	32.9	Very low	36	Very low	234 Å²	234	154.1 Å²	154.1	88%	0.883	79%	0.787	S	S	*	*				28.9	128.2	123.4	-59	-178.1	-178	174.5	-1.3	119.1
844	N	37.4	Very low	36	Very low	155 Å²	155	155.9 Å²	155.9	83%	0.829	79%	0.792	S	S	*	*				-160.5	161	93.8	-104.2	1.8	0	0	0	112
845	E	35	Very low	36.1	Very low	167 Å²	167	154.2 Å²	154.2	78%	0.78	79%	0.794	S	S	*	*			trans	-97.3	157.2	-174.5	-57.1	154.4	144.4	0	0	111.3
846	H	38.9	Very low	36.1	Very low	177 Å²	177	150 Å²	150	82%	0.819	80%	0.796	S	S	*	*				-176.2	138.2	118	-100.9	62.1	0	0	0	111.9
847	S	36.3	Very low	36.3	Very low	110 Å²	110	151.8 Å²	151.8	77%	0.769	80%	0.802	S	S	*	*			trans	-126.9	172.2	163.2	-59.1	0	0	0	0	108.1
848	P	44	Very low	36.3	Very low	135 Å²	135	152.6 Å²	152.6	88%	0.877	81%	0.807	S	S	*	*				-147.3	-177.4	103.5	37.4	-20.3	0	0	0	114.9
849	S	36.1	Very low	36.4	Very low	99 Å²	99	151.6 Å²	151.6	69%	0.692	81%	0.806	S	S	*	*			trans	-122.5	163.7	-167.5	55.1	0	0	0	0	114
850	H	41.6	Very low	36.5	Very low	185 Å²	185	154.3 Å²	154.3	86%	0.856	81%	0.81	S	S	*	*			trans	-157.4	150.9	160.5	-85.5	-81.3	0	0	0	109.2
851	H	41.4	Very low	36.7	Very low	167 Å²	167	151.5 Å²	151.5	77%	0.773	80%	0.8	S	S	*	*			cis	-159.8	156.7	-36.1	-144.4	-81.3	0	0	0	108.8
852	F	33	Very low	36.8	Very low	165 Å²	165	153.6 Å²	153.6	72%	0.724	80%	0.802	S	S	*	*			trans	-77.1	160.8	-180	-102.5	-108.6	0	0	0	114.7	E854	F852-E854 HydrophobicContact CD1-CG 4.33Å
853	N	41.2	Very low	36.9	Very low	166 Å²	166	149.7 Å²	149.7	89%	0.888	80%	0.798	S	S	*	*			trans	-166.5	161	130.2	-100.5	-9.9	0	0	0	113
854	E	32.8	Very low	37.2	Very low	153 Å²	153	145.9 Å²	145.9	72%	0.715	80%	0.795	S	S	*	*			trans	-124.1	-178.7	-162.7	-54.8	-177.9	99.1	0	0	115.6	F852	F852-E854 HydrophobicContact CD1-CG 4.33Å
855	T	34.3	Very low	37.1	Very low	134 Å²	134	143 Å²	143	82%	0.822	79%	0.788	S	S	*	*			trans	67.4	120.2	152.5	50.2	0	0	0	0	121.7
856	S	36.2	Very low	37.3	Very low	120 Å²	120	139.4 Å²	139.4	84%	0.839	78%	0.781	S	S	*	*				-169.1	156.6	111.4	-168.8	0	0	0	0	111.4
857	M	34.4	Very low	37.3	Very low	176 Å²	176	138.3 Å²	138.3	87%	0.867	78%	0.776	S	S	*	*			trans	-111.3	145.7	176.8	-73.7	-171.7	171.7	0	0	112.3
858	T	36.9	Very low	37.2	Very low	144 Å²	144	140 Å²	140	88%	0.883	78%	0.775	S	S	*	*			trans	-152.9	150.3	142.7	-33.1	0	0	0	0	110.6
859	T	33.8	Very low	36.7	Very low	121 Å²	121	139.4 Å²	139.4	74%	0.742	77%	0.773	S	S	*	*			trans	-110	163.1	-178.2	52.2	0	0	0	0	111.8
860	Q	37.8	Very low	36.6	Very low	183 Å²	183	140.2 Å²	140.2	86%	0.855	77%	0.773	S	S	*	*			trans	171.7	155.7	141	-84.3	-96.2	-27.9	0	0	110
861	P	38.5	Very low	36.4	Very low	95 Å²	95	138.1 Å²	138.1	62%	0.617	77%	0.773	S	S	*	*			trans	-141.1	-170.3	-131.8	45.7	-29.2	0	0	0	118.4
862	L	34.1	Very low	36	Very low	152 Å²	152	137.2 Å²	137.2	80%	0.796	77%	0.769	S	S	*	*			trans	75.1	118.1	157	-67.4	168.2	0	0	0	120.2
863	S	39.2	Very low	35.7	Very low	105 Å²	105	137.3 Å²	137.3	73%	0.734	77%	0.774	S	S	*	*				-178	129.5	93	39.6	0	0	0	0	115.2
864	N	38.5	Very low	35.2	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	80%	0.799	S	S	*	*			trans	46.9	140.6	136.4	-62	-4.4	0	0	0	122.1
865	S	36.3	Very low	35.4	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	80%	0.803	S	S	*	*			cis	-171.5	169.3	-6	-172.8	0	0	0	0	111.4
866	S	38.5	Very low	35.4	Very low	92 Å²	92	138.8 Å²	138.8	64%	0.643	80%	0.802	S	S	*	*			trans	65.6	137.9	157.2	51.4	0	0	0	0	119.9
867	H	39	Very low	35.4	Very low	154 Å²	154	139.9 Å²	139.9	71%	0.713	80%	0.8	S	S	*	*			cis	-149.2	126.5	-14.1	-92.4	-49.3	0	0	0	108.7
868	I	33.6	Very low	35.4	Very low	145 Å²	145	137.8 Å²	137.8	74%	0.744	80%	0.796	S	S	*	*				56.3	105.7	100.3	-56.4	-179.6	0	0	0	114.8
869	C	34.8	Very low	35.3	Very low	123 Å²	123	137.4 Å²	137.4	83%	0.831	79%	0.79	S	S	*	*				-162.8	134	101.7	-139.7	0	0	0	0	111.6
870	T	31.9	Very low	35.5	Very low	116 Å²	116	138.5 Å²	138.5	71%	0.712	79%	0.793	S	S	*	*			trans	-140.3	123	-176.7	-53.5	0	0	0	0	111.1	Q872	T870-Q872 HydrophobicContact CG2-CB 4.49Å
871	V	39	Very low	35.3	Very low	141 Å²	141	135.3 Å²	135.3	86%	0.855	79%	0.789	S	S	*	*			trans	-149.5	111.3	155.6	-175.6	0	0	0	0	104.2
872	Q	31.6	Very low	35	Very low	147 Å²	147	138.4 Å²	138.4	69%	0.687	80%	0.802	S	S	*	*			cis	82.9	94.7	34.6	-164.4	169.5	-13.3	0	0	114.7	T870	T870-Q872 HydrophobicContact CG2-CB 4.49Å
873	M	27.4	Very low	35.1	Very low	167 Å²	167	137.3 Å²	137.3	82%	0.823	80%	0.803	S	S	*	*			trans	52.6	103.2	151	-67.8	171	168.8	0	0	118.6
874	C	31.8	Very low	34.7	Very low	208 Å²	208	140.2 Å²	140.2	100%	1.405	81%	0.809	S	S	*	*				-120.6	0	90.8	-75.5	0	0	0	0	108.8

Retrieved 874 of 874 residues in 1201.9 ms (Link to these results)

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