A0A3Q0KU18_SCHMA Loading...

MYCBP-associated protein

AlphaFold DB , UniProt , Accession A0A3Q0KU18, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 908 aa.

						>A0A3Q0KU18_SCHMA|A0A3Q0KU18
MSKANRSKGVKIKSDVSSDKLQLDLDSLANEQANVSNRPHIIYDNSIEQLRITEELIQERLKQFETKHLSQDLSDGLNSIQKLKHVVVRKTIPEKDRPKPMRNVAVLRKASEDSQLAEQITSISYNNKRLSFRRPSNINWHSAGLGPRFSPEGTFLKHSILGDPVIFYQTALTRGDISWNMVPREIQLQLQTTMVEMQNLNLPVALSCIPEQTSPGSHPSNGSHLTVNHSTISNYPSNEKSNKKLFNSETNNLHSNGDTASLENWKLKIGQQKLMQQKLSNLMKRKSNDLIMNSGENFYEIQLTREKIDRLIPLVNNGKGRRYMSEFWNQPEYIRNAESSDLCTTMTMKEKGIYKPIEFIKCPKVIEIEKGIISSECNNNDASKECITGIKCQNTYLMDRTQELSDLLNQMVPHEPIMDELAITGQKVLKNQTNESPDVQNNSKKLNENTTSEVSQLLESEKPTNLQSNSKINESYVNEPSLYLNGYHLNWQTISSNSSPRLGIDIHLNFENESPILQTEYIELFNNGNVLISYEWTRIPRKNHFELDDKDNNVFYFDSKPGIIQPGDIVHLPITLKSHHEGIYKEVWRFDTTPVFQGMLPICVHFHAISVWPEYHQFCSFLAKDIFIQLEQEANYRMVYQMLQNLIMNIQPEERPPSPILEPNTEEAIFTLTNPNFYYKHHVVQKLKQFYKEIKEREVKFLGNDYETILSNTDNWKYSITELRKMIYKYAPDMTKANAAAKREEEFNKFFQSVDQLVFPSKTSFTNTSVERYRIGYTLLSQTFAKLFDLCSNLRWLHGLPELTNSPIKSQRGGKIVNQTNDRTAVSAVTRNLTQTKPLDEVQIESDDKFSLIDQQILPEDTQESNELAEFIKTISPNSRLWKNKACSIVHATLSQLLDDLFTCWNDI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	33.3	Very low	249 Å²	249	162.9 Å²	162.9	100%	1.227	87%	0.87	S	S	*	*				0	125.6	0	-57.5	-161.7	178.8	0	0	106.1
2	S	38.2	Very low	33.3	Very low	114 Å²	114	162 Å²	162	80%	0.797	86%	0.863	S	S	*	*			cis	-149	122.6	22.5	42.4	0	0	0	0	107.9	A4	S2-A4 PolarHBondContact O-N 3.32Å
3	K	33	Very low	32.9	Very low	208 Å²	208	163.8 Å²	163.8	90%	0.904	86%	0.858	S	S	*	*			trans	-84.5	103.3	165.3	-84.4	-178.2	174.3	178.8	0	106.6	N5	K3-N5 PolarHBondContact O-N 3.39Å
4	A	36.8	Very low	32.8	Very low	95 Å²	95	159.3 Å²	159.3	79%	0.785	85%	0.847	S	S	*	*			trans	-83.5	97	177.1	0	0	0	0	0	109.9	S2	S2-A4 PolarHBondContact O-N 3.32Å
5	N	32.3	Very low	32.4	Very low	159 Å²	159	158.5 Å²	158.5	85%	0.85	84%	0.843	S	S	*	*			trans	-80.7	116.1	160.5	-82.9	-26.1	0	0	0	108.8	K3	K3-N5 PolarHBondContact O-N 3.39Å
6	R	32.5	Very low	32.5	Very low	232 Å²	232	157 Å²	157	88%	0.875	84%	0.842	S	S	*	*			trans	-139	96.7	160.8	-92.3	-174.5	169.7	178.2	-3.3	107.1
7	S	33.7	Very low	32.4	Very low	108 Å²	108	153.5 Å²	153.5	76%	0.755	83%	0.832	S	S	*	*				81	110.6	85.7	69.5	0	0	0	0	112.7
8	K	30.6	Very low	32	Very low	220 Å²	220	151.4 Å²	151.4	96%	0.957	83%	0.831	S	S	*	*			trans	-47.5	130	174.6	-64.7	168.5	174.1	174.7	0	112.7
9	G	30.4	Very low	32	Very low	72 Å²	72	150.9 Å²	150.9	74%	0.742	83%	0.827	S	S	*	*			trans	-113.9	104	169.7	0	0	0	0	0	111.4
10	V	31.9	Very low	31.8	Very low	129 Å²	129	153.3 Å²	153.3	78%	0.782	83%	0.829	S	S	*	*			trans	49.4	101	141.6	-166.6	0	0	0	0	118.8	I12	V10-I12 HydrophobicContact CG1-CG1 4.39Å
11	K	30.6	Very low	31.7	Very low	206 Å²	206	153.1 Å²	153.1	90%	0.896	83%	0.827	S	S	*	*			trans	-69.6	119.5	154.7	-78.2	-177.1	172.7	-175.4	0	109.2
12	I	33.4	Very low	31.3	Very low	152 Å²	152	150.5 Å²	150.5	78%	0.779	81%	0.811	S	S	*	*			trans	-84.9	113	166.5	-63.2	170.5	0	0	0	107	V10	V10-I12 HydrophobicContact CG1-CG1 4.39Å
13	K	28.3	Very low	30.9	Very low	185 Å²	185	152.7 Å²	152.7	80%	0.804	81%	0.814	S	S	*	*			trans	-82.7	121	164.5	-80.5	-178.4	170.2	-171.9	0	107.4
14	S	31.3	Very low	30.8	Very low	101 Å²	101	149.5 Å²	149.5	71%	0.706	81%	0.806	S	S	*	*			trans	-122.8	98.1	157.5	55.5	0	0	0	0	107	V16	S14-V16 PolarHBondContact O-N 3.1Å
15	D	27.3	Very low	30.5	Very low	148 Å²	148	152.4 Å²	152.4	79%	0.791	81%	0.808	S	S	*	*			trans	-65.6	116.6	164.8	-71.5	-46.2	0	0	0	107.8
16	V	34	Very low	30.6	Very low	134 Å²	134	151.6 Å²	151.6	81%	0.812	80%	0.803	S	S	*	*			trans	-129.8	120.3	159.8	-178.2	0	0	0	0	107.4	S14	S14-V16 PolarHBondContact O-N 3.1Å
17	S	30.4	Very low	30.6	Very low	97 Å²	97	145.9 Å²	145.9	68%	0.678	80%	0.799	S	S	*	*			trans	-61.4	135.8	-170.4	41.9	0	0	0	0	113.6	D19	S17-D19 PolarHBondContact O-N 3.48Å
18	S	26.1	Very low	30.5	Very low	116 Å²	116	148.4 Å²	148.4	81%	0.811	80%	0.804	S	S	*	*			trans	-71.2	97	167.9	48.5	0	0	0	0	111.2
19	D	32.1	Very low	30.7	Very low	143 Å²	143	142 Å²	142	77%	0.765	79%	0.791	S	S	*	*			trans	-94.4	104.6	163.1	-81.4	-28.1	0	0	0	109.6	S17 L21	S17-D19 PolarHBondContact O-N 3.48Å; D19-L21 PolarHBondContact O-N 3.24Å
20	K	28.1	Very low	30.9	Very low	197 Å²	197	145.9 Å²	145.9	86%	0.857	80%	0.795	S	S	*	*			trans	-60.9	105.6	166.4	-91	174.8	166.8	178.6	0	108.7
21	L	29.4	Very low	30.9	Very low	151 Å²	151	148.7 Å²	148.7	79%	0.791	80%	0.8	S	S	*	*			trans	-107.7	103.5	158	-73.5	175	0	0	0	108.5	D19 L23	D19-L21 PolarHBondContact O-N 3.24Å; L21-L23 PolarHBondContact O-N 3.17Å
22	Q	26.9	Very low	31	Very low	193 Å²	193	148.3 Å²	148.3	90%	0.902	80%	0.801	S	S	*	*			trans	-72.9	98.3	175.2	-167.2	163.8	-7	0	0	107
23	L	30	Very low	30.9	Very low	161 Å²	161	145.4 Å²	145.4	84%	0.843	80%	0.8	S	S	*	*			trans	-97.7	111.8	177.2	-98.8	144.3	0	0	0	108.7	L21 L25	L21-L23 PolarHBondContact O-N 3.17Å; L23-L25 PolarHBondContact O-N 3.18Å
24	D	29.9	Very low	31.1	Very low	140 Å²	140	144.3 Å²	144.3	75%	0.749	80%	0.803	S	S	*	*			trans	-50.1	123.5	176.1	-92.8	-32.6	0	0	0	111.8	D26	D24-D26 PolarHBondContact O-N 3.33Å
25	L	30.6	Very low	31.4	Very low	156 Å²	156	146.4 Å²	146.4	82%	0.817	81%	0.811	S	S	*	*	S	Bend	trans	-82.1	10.8	-178.1	-164.7	62.9	0	0	0	112.8	L23 S27	L23-L25 PolarHBondContact O-N 3.18Å; L25-S27 PolarHBondContact O-N 2.93Å
26	D	34.4	Very low	31.6	Very low	142 Å²	142	144.4 Å²	144.4	76%	0.759	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	0.3	-168.5	-78.2	-5	0	0	0	114.9	D24	D24-D26 PolarHBondContact O-N 3.33Å
27	S	33.7	Very low	31.7	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	5.5	-176.6	98.7	0	0	0	0	116.4	L25	L25-S27 PolarHBondContact O-N 2.93Å
28	L	31.8	Very low	31.6	Very low	161 Å²	161	151.3 Å²	151.3	84%	0.843	82%	0.817	S	S	*	*	S	Bend	trans	-113.2	22.9	176.5	-144	78	0	0	0	113.5
29	A	34.9	Very low	32	Very low	84 Å²	84	150.4 Å²	150.4	69%	0.694	81%	0.808	S	S	*	*	S	Bend	trans	-85.9	2.7	-179.8	0	0	0	0	0	114.9
30	N	33	Very low	32.2	Very low	154 Å²	154	152.1 Å²	152.1	82%	0.824	81%	0.812	S	S	*	*	S	Bend	trans	-115.3	7	-167.6	-94.2	-4.1	0	0	0	117.9
31	E	32.3	Very low	32.8	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	81%	0.805	S	S	*	*	S	Bend	trans	-119.9	8.9	-180	-81.2	-162.1	158.2	0	0	116.9
32	Q	32.6	Very low	33.4	Very low	198 Å²	198	149 Å²	149	93%	0.925	80%	0.802	S	S	*	*			trans	-121.3	45.4	172	-70.3	-173.7	-12.2	0	0	112.7
33	A	32.4	Very low	34.2	Very low	91 Å²	91	148.7 Å²	148.7	75%	0.752	79%	0.794	S	S	*	*			trans	-106.4	59.7	167.7	0	0	0	0	0	110.2
34	N	32.5	Very low	35.5	Very low	162 Å²	162	144.5 Å²	144.5	87%	0.866	77%	0.772	S	S	*	*			trans	-160.6	36.7	168.4	-115.6	-15.8	0	0	0	115.8
35	V	36.1	Very low	37.2	Very low	145 Å²	145	142.6 Å²	142.6	88%	0.879	76%	0.762	S	S	*	*	S	Bend	trans	-119.2	85.7	165.9	-172.5	0	0	0	0	109.4
36	S	33.1	Very low	38.7	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	74%	0.744	S	S	*	*			trans	30.3	103	138.3	169.4	0	0	0	0	116.4	R38	S36-R38 PolarHBondContact O-N 3.2Å
37	N	35.3	Very low	39.7	Very low	161 Å²	161	136.7 Å²	136.7	86%	0.861	74%	0.735	S	S	*	*			trans	-31.6	96.5	161.8	-73.4	-28.3	0	0	0	113.4
38	R	29.4	Very low	41.3	Very low	215 Å²	215	134.5 Å²	134.5	81%	0.811	71%	0.712	S	S	*	*			trans	-78.7	121.5	162.2	-161.9	174.5	-172.5	-178.9	1.7	107.5	S36 H40	S36-R38 PolarHBondContact O-N 3.2Å; R38-H40 PolarHBondContact O-N 3.47Å
39	P	33.1	Very low	42.8	Very low	97 Å²	97	133.9 Å²	133.9	63%	0.63	71%	0.705	S	S	*	*			trans	-68.7	125.4	-172.7	26.6	-32.5	0	0	0	110.7	I41	P39-I41 PolarHBondContact O-N 2.92Å; P39-I41 VanDerWaalsContact O-N 3.1Å
40	H	37.5	Very low	44	Very low	180 Å²	180	136.6 Å²	136.6	83%	0.833	71%	0.707	S	S	*	*			trans	33.2	66.5	146	-52.9	79.5	0	0	0	115.8	R38 I42	R38-H40 PolarHBondContact O-N 3.47Å; H40-I42 PolarHBondContact O-N 3.11Å; H40-I42 VanDerWaalsContact O-N 3.12Å
41	I	39.7	Very low	45.7	Very low	138 Å²	138	136.4 Å²	136.4	71%	0.708	70%	0.695	S	S	*	*			trans	-70.8	106.4	152.7	-63.6	172.3	0	0	0	104.6	P39 Y43	P39-I41 PolarHBondContact O-N 2.92Å; P39-I41 VanDerWaalsContact O-N 3.1Å; I41-Y43 PolarHBondContact O-N 3.15Å
42	I	43.3	Very low	47.4	Very low	143 Å²	143	134.4 Å²	134.4	73%	0.733	69%	0.689	S	S	*	*			trans	-54.9	105.9	173.1	-62.6	170	0	0	0	105.8	H40 D44	H40-I42 PolarHBondContact O-N 3.11Å; H40-I42 VanDerWaalsContact O-N 3.12Å; I42-D44 VanDerWaalsContact C-N 3.26Å; I42-D44 PolarHBondContact O-N 3.41Å
43	Y	43.4	Very low	49.6	Very low	188 Å²	188	127.6 Å²	127.6	74%	0.737	66%	0.661	S	S	*	*			trans	-71	90.3	177.3	-161.5	-83.7	0	0	0	107.1	I41	I41-Y43 PolarHBondContact O-N 3.15Å
44	D	56.7	Low	51.6	Low	72 Å²	72	130.5 Å²	130.5	39%	0.385	66%	0.659	S	S	.	*			trans	-91.3	111.7	174.1	-172.7	-3.7	0	0	0	108.3	I42 S46 I47	I42-D44 VanDerWaalsContact C-N 3.26Å; I42-D44 PolarHBondContact O-N 3.41Å; D44-S46 VanDerWaalsContact CG-OG 3.28Å; D44-S46 PolarHBondContact O-N 2.97Å; D44-S46 WeakPolarHBondContact OD1-CB 3.13Å; D44-S46 PolarHBondContact OD1-N 3.33Å; D44-S46 PolarHBondContact OD1-OG 2.83Å; D44-S46 PolarHBondContact OD2-OG 3.09Å; D44-I47 HydrophobicContact CB-CD1 3.98Å; D44-I47 HydrophobicContact CB-CG1 4.08Å; D44-I47 WeakPolarHBondContact O-CB 3.3Å; D44-I47 PolarHBondContact O-N 3.46Å
45	N	66.1	Low	53.8	Low	101 Å²	101	130.5 Å²	130.5	54%	0.54	65%	0.653	S	S	.	*	H	α-helix	trans	-59	-19.9	178.6	-154	43.9	0	0	0	111.7	I47 E48 Q49	N45-I47 VanDerWaalsContact C-N 3.26Å; N45-I47 PolarHBondContact O-N 3.36Å; N45-E48 PolarHBondContact O-N 2.89Å; N45-Q49 WeakPolarHBondContact O-CG 3.37Å; N45-Q49 PolarHBondContact O-N 3.11Å; N45-Q49 VanDerWaalsContact O-N 3.1Å
46	S	61.4	Low	55.7	Low	61 Å²	61	126.4 Å²	126.4	43%	0.427	63%	0.627	S	S	.	*	H	α-helix	trans	-61.6	-33.2	171.9	-40.3	0	0	0	0	112.6	D44 Q49 L50	D44-S46 VanDerWaalsContact CG-OG 3.28Å; D44-S46 PolarHBondContact O-N 2.97Å; D44-S46 WeakPolarHBondContact OD1-CB 3.13Å; D44-S46 PolarHBondContact OD1-N 3.33Å; D44-S46 PolarHBondContact OD1-OG 2.83Å; D44-S46 PolarHBondContact OD2-OG 3.09Å; S46-Q49 PolarHBondContact O-N 3.32Å; S46-L50 WeakPolarHBondContact O-CG 3.41Å; S46-L50 PolarHBondContact O-N 3.09Å
47	I	56.6	Low	57.7	Low	112 Å²	112	125.2 Å²	125.2	57%	0.574	61%	0.611	S	S	*	*	H	α-helix	trans	-76.3	-38.7	-178.5	-59.2	174.1	0	0	0	110.3	D44 N45 Q49 L50 R51	D44-I47 HydrophobicContact CB-CD1 3.98Å; D44-I47 HydrophobicContact CB-CG1 4.08Å; D44-I47 WeakPolarHBondContact O-CB 3.3Å; D44-I47 PolarHBondContact O-N 3.46Å; N45-I47 VanDerWaalsContact C-N 3.26Å; N45-I47 PolarHBondContact O-N 3.36Å; I47-Q49 VanDerWaalsContact C-N 3.31Å; I47-Q49 PolarHBondContact O-N 2.93Å; I47-L50 CarbonylContact O-C 3.41Å; I47-L50 PolarHBondContact O-N 3.36Å; I47-L50 VanDerWaalsContact O-N 3.1Å; I47-R51 PolarHBondContact O-N 2.99Å; I47-R51 VanDerWaalsContact O-N 3.15Å
48	E	65.6	Low	59.8	Low	67 Å²	67	123.5 Å²	123.5	31%	0.313	60%	0.598	S	S	.	*	H	α-helix	trans	-64.5	-35.8	171.4	-102.6	-66.8	164	0	0	111.5	N45 L50 R51	N45-E48 PolarHBondContact O-N 2.89Å; E48-L50 PolarHBondContact O-N 3.24Å; E48-R51 WeakPolarHBondContact O-CB 3.44Å; E48-R51 PolarHBondContact O-N 3.42Å; E48-R51 WeakPolarHBondContact OE1-CD 3.37Å; E48-R51 IonicContact OE1-CZ 3.65Å; E48-R51 IonicContact OE1-NE 3.65Å; E48-R51 IonicContact OE1-NH1 2.85Å; E48-R51 PolarHBondContact OE1-NH1 3.27Å
49	Q	63.3	Low	62.3	Low	148 Å²	148	118.7 Å²	118.7	69%	0.692	58%	0.584	S	S	*	*	H	α-helix	trans	-64.9	-21.6	172.5	-72.2	-170.9	1.8	0	0	114	N45 S46 I47	N45-Q49 WeakPolarHBondContact O-CG 3.37Å; N45-Q49 PolarHBondContact O-N 3.11Å; N45-Q49 VanDerWaalsContact O-N 3.1Å; S46-Q49 PolarHBondContact O-N 3.32Å; I47-Q49 VanDerWaalsContact C-N 3.31Å; I47-Q49 PolarHBondContact O-N 2.93Å
50	L	60.7	Low	64.4	Low	141 Å²	141	121.6 Å²	121.6	74%	0.738	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-7.3	172.7	-66.9	171.6	0	0	0	112.6	S46 I47 E48 I52	S46-L50 WeakPolarHBondContact O-CG 3.41Å; S46-L50 PolarHBondContact O-N 3.09Å; I47-L50 CarbonylContact O-C 3.41Å; I47-L50 PolarHBondContact O-N 3.36Å; I47-L50 VanDerWaalsContact O-N 3.1Å; E48-L50 PolarHBondContact O-N 3.24Å; L50-I52 PolarHBondContact O-N 3.46Å
51	R	68	Low	66.2	Low	151 Å²	151	117.7 Å²	117.7	57%	0.57	57%	0.568	S	S	*	*			trans	-72.8	112.5	-178.3	-163.5	176.2	-172.7	-169.6	-1.5	109.5	I47 E48 T53	I47-R51 PolarHBondContact O-N 2.99Å; I47-R51 VanDerWaalsContact O-N 3.15Å; E48-R51 WeakPolarHBondContact O-CB 3.44Å; E48-R51 PolarHBondContact O-N 3.42Å; E48-R51 WeakPolarHBondContact OE1-CD 3.37Å; E48-R51 IonicContact OE1-CZ 3.65Å; E48-R51 IonicContact OE1-NE 3.65Å; E48-R51 IonicContact OE1-NH1 2.85Å; E48-R51 PolarHBondContact OE1-NH1 3.27Å; R51-T53 PolarHBondContact O-N 2.82Å
52	I	70	Confident	68.2	Low	145 Å²	145	118.1 Å²	118.1	74%	0.744	56%	0.564	S	S	*	*			trans	-71.3	96.7	179.3	-57.9	171.8	0	0	0	108	L50 I57	L50-I52 PolarHBondContact O-N 3.46Å; I52-I57 HydrophobicContact CG2-CD1 3.61Å; I52-I57 HydrophobicContact CG2-CG1 3.8Å
53	T	77.4	Confident	69.8	Low	56 Å²	56	115.2 Å²	115.2	34%	0.344	55%	0.548	S	S	.	.			trans	-100.8	147	170.5	47.4	0	0	0	0	109.6	R51 E55 L56 I57	R51-T53 PolarHBondContact O-N 2.82Å; T53-E55 PolarHBondContact O-N 3.25Å; T53-L56 WeakPolarHBondContact O-CB 3.45Å; T53-L56 PolarHBondContact O-N 3.12Å; T53-L56 WeakPolarHBondContact OG1-CB 3.43Å; T53-I57 PolarHBondContact O-N 2.93Å
54	E	75.3	Confident	71	Confident	151 Å²	151	112.6 Å²	112.6	71%	0.706	54%	0.54	S	S	*	.	H	α-helix	trans	-61.7	-31.9	-176	-166.2	149.2	-171.4	0	0	112.5	I57 Q58	E54-I57 PolarHBondContact O-N 2.84Å; E54-Q58 WeakPolarHBondContact O-CG 3.26Å; E54-Q58 PolarHBondContact O-N 3.22Å
55	E	78.7	Confident	71.4	Confident	162 Å²	162	115.3 Å²	115.3	76%	0.757	55%	0.551	S	S	*	*	H	α-helix	trans	-62	-41.2	171.5	-66.6	179.3	169.4	0	0	112.2	T53 Q58 E59	T53-E55 PolarHBondContact O-N 3.25Å; E55-Q58 PolarHBondContact O-N 3.42Å; E55-E59 WeakPolarHBondContact O-CB 3.35Å; E55-E59 PolarHBondContact O-N 2.86Å
56	L	76.4	Confident	71.5	Confident	60 Å²	60	114.4 Å²	114.4	31%	0.314	55%	0.549	S	S	.	.	H	α-helix	trans	-74.3	-32.5	-179.9	-140.8	162.6	0	0	0	111.1	T53 E59 R60	T53-L56 WeakPolarHBondContact O-CB 3.45Å; T53-L56 PolarHBondContact O-N 3.12Å; T53-L56 WeakPolarHBondContact OG1-CB 3.43Å; L56-E59 PolarHBondContact O-N 3.4Å; L56-R60 HydrophobicContact CD2-CG 4.01Å; L56-R60 VanDerWaalsContact O-CB 3.25Å; L56-R60 WeakPolarHBondContact O-CB 3.35Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.4Å; L56-R60 PolarHBondContact O-N 3.37Å
57	I	73.8	Confident	71.6	Confident	81 Å²	81	117.9 Å²	117.9	42%	0.415	56%	0.556	S	S	.	*	H	α-helix	trans	-62.4	-47.7	168.6	-62.9	174.6	0	0	0	109.9	I52 T53 E54 E59 R60 L61	I52-I57 HydrophobicContact CG2-CD1 3.61Å; I52-I57 HydrophobicContact CG2-CG1 3.8Å; T53-I57 PolarHBondContact O-N 2.93Å; E54-I57 PolarHBondContact O-N 2.84Å; I57-E59 VanDerWaalsContact C-N 3.34Å; I57-E59 PolarHBondContact O-N 3.44Å; I57-R60 PolarHBondContact O-N 3.29Å; I57-L61 HydrophobicContact CG2-CD1 3.99Å; I57-L61 HydrophobicContact CG2-CG 4.43Å; I57-L61 WeakPolarHBondContact O-CB 3.43Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 3.15Å
58	Q	80.4	Confident	71.5	Confident	124 Å²	124	116.8 Å²	116.8	58%	0.579	55%	0.549	S	S	*	.	H	α-helix	trans	-63.4	-39.9	177.8	-73.6	-178.1	9.8	0	0	111.8	E54 E55 L61 K62	E54-Q58 WeakPolarHBondContact O-CG 3.26Å; E54-Q58 PolarHBondContact O-N 3.22Å; E55-Q58 PolarHBondContact O-N 3.42Å; Q58-L61 PolarHBondContact O-N 3.32Å; Q58-K62 WeakPolarHBondContact O-CB 3.39Å; Q58-K62 PolarHBondContact O-N 3.22Å
59	E	82.1	Confident	70.9	Confident	114 Å²	114	119.7 Å²	119.7	53%	0.533	57%	0.566	S	S	.	*	H	α-helix	trans	-66.3	-41.4	175.3	-168.2	174	-163.1	0	0	111.5	E55 L56 I57 K62 Q63	E55-E59 WeakPolarHBondContact O-CB 3.35Å; E55-E59 PolarHBondContact O-N 2.86Å; L56-E59 PolarHBondContact O-N 3.4Å; I57-E59 VanDerWaalsContact C-N 3.34Å; I57-E59 PolarHBondContact O-N 3.44Å; E59-K62 PolarHBondContact O-N 2.99Å; E59-Q63 WeakPolarHBondContact O-CB 3.35Å; E59-Q63 VanDerWaalsContact O-CG 3.3Å; E59-Q63 WeakPolarHBondContact O-CG 3.43Å; E59-Q63 PolarHBondContact O-N 3.38Å
60	R	75.5	Confident	70.5	Confident	159 Å²	159	117 Å²	117	60%	0.6	56%	0.563	S	S	*	*	H	α-helix	trans	-64.4	-40.4	173.8	-80	-72.9	-175.3	99.8	2.8	112	L56 I57 Q63 F64	L56-R60 HydrophobicContact CD2-CG 4.01Å; L56-R60 VanDerWaalsContact O-CB 3.25Å; L56-R60 WeakPolarHBondContact O-CB 3.35Å; L56-R60 VanDerWaalsContact O-CG 3.27Å; L56-R60 WeakPolarHBondContact O-CG 3.4Å; L56-R60 PolarHBondContact O-N 3.37Å; I57-R60 PolarHBondContact O-N 3.29Å; R60-Q63 CarbonylContact O-C 3.57Å; R60-Q63 PolarHBondContact O-N 3.15Å; R60-F64 WeakPolarHBondContact O-CB 3.38Å; R60-F64 PolarHBondContact O-N 2.89Å
61	L	75.7	Confident	70.1	Confident	98 Å²	98	115.2 Å²	115.2	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-63.2	-44.3	173.9	-82.2	169.3	0	0	0	110.9	I57 Q58 Q63 F64 E65	I57-L61 HydrophobicContact CG2-CD1 3.99Å; I57-L61 HydrophobicContact CG2-CG 4.43Å; I57-L61 WeakPolarHBondContact O-CB 3.43Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 3.15Å; Q58-L61 PolarHBondContact O-N 3.32Å; L61-Q63 VanDerWaalsContact C-N 3.35Å; L61-Q63 PolarHBondContact O-N 3.35Å; L61-F64 CarbonylContact O-C 3.53Å; L61-F64 WeakPolarHBondContact O-CA 3.43Å; L61-F64 VanDerWaalsContact O-CB 3.28Å; L61-F64 WeakPolarHBondContact O-CB 3.41Å; L61-F64 PolarHBondContact O-N 2.93Å; L61-E65 WeakPolarHBondContact O-CG 3.38Å; L61-E65 PolarHBondContact O-N 2.88Å
62	K	81.6	Confident	69.2	Low	147 Å²	147	112.5 Å²	112.5	64%	0.639	55%	0.548	S	S	*	.	H	α-helix	trans	-65.9	-37.3	176.4	-160.3	177.3	-172.8	178.2	0	112.1	Q58 E59 F64 T66	Q58-K62 WeakPolarHBondContact O-CB 3.39Å; Q58-K62 PolarHBondContact O-N 3.22Å; E59-K62 PolarHBondContact O-N 2.99Å; K62-F64 VanDerWaalsContact C-N 3.32Å; K62-T66 WeakPolarHBondContact O-CB 3.15Å; K62-T66 VanDerWaalsContact O-CG2 3.29Å; K62-T66 WeakPolarHBondContact O-CG2 3.13Å; K62-T66 PolarHBondContact O-N 3.44Å; K62-T66 PolarHBondContact O-OG1 2.87Å
63	Q	77.6	Confident	68.2	Low	81 Å²	81	112 Å²	112	38%	0.379	55%	0.546	S	S	.	.	H	α-helix	trans	-66.2	-35.4	169.9	-74.7	-177.8	16.8	0	0	111.8	E59 R60 L61 T66 K67	E59-Q63 WeakPolarHBondContact O-CB 3.35Å; E59-Q63 VanDerWaalsContact O-CG 3.3Å; E59-Q63 WeakPolarHBondContact O-CG 3.43Å; E59-Q63 PolarHBondContact O-N 3.38Å; R60-Q63 CarbonylContact O-C 3.57Å; R60-Q63 PolarHBondContact O-N 3.15Å; L61-Q63 VanDerWaalsContact C-N 3.35Å; L61-Q63 PolarHBondContact O-N 3.35Å; Q63-T66 WeakPolarHBondContact CA-OG1 3.33Å; Q63-T66 PolarHBondContact O-OG1 2.86Å; Q63-T66 VanDerWaalsContact O-OG1 3.13Å; Q63-K67 VanDerWaalsContact O-CB 3.28Å; Q63-K67 WeakPolarHBondContact O-CB 3.25Å; Q63-K67 VanDerWaalsContact O-CG 3.28Å; Q63-K67 WeakPolarHBondContact O-CG 3.47Å; Q63-K67 PolarHBondContact O-N 3.36Å
64	F	67.9	Low	67	Low	133 Å²	133	111.8 Å²	111.8	58%	0.583	55%	0.547	S	S	*	.	H	α-helix	trans	-66.4	-49.2	175.5	-131.1	-89.1	0	0	0	110.5	R60 L61 K62 T66 K67 H68	R60-F64 WeakPolarHBondContact O-CB 3.38Å; R60-F64 PolarHBondContact O-N 2.89Å; L61-F64 CarbonylContact O-C 3.53Å; L61-F64 WeakPolarHBondContact O-CA 3.43Å; L61-F64 VanDerWaalsContact O-CB 3.28Å; L61-F64 WeakPolarHBondContact O-CB 3.41Å; L61-F64 PolarHBondContact O-N 2.93Å; K62-F64 VanDerWaalsContact C-N 3.32Å; F64-T66 PolarHBondContact O-N 2.89Å; F64-K67 PolarHBondContact O-N 2.91Å; F64-H68 AromaticContact CD1-CD2 3.59Å; F64-H68 AromaticContact CE1-CD2 3.51Å; F64-H68 AromaticContact CE1-NE2 3.68Å; F64-H68 WeakPolarHBondContact O-CB 3.42Å; F64-H68 PolarHBondContact O-N 3.03Å
65	E	65.4	Low	65.8	Low	130 Å²	130	107.2 Å²	107.2	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-60.8	-44.9	177.4	-74.6	-179.7	170.8	0	0	111.7	L61 H68 L69	L61-E65 WeakPolarHBondContact O-CG 3.38Å; L61-E65 PolarHBondContact O-N 2.88Å; E65-H68 PolarHBondContact O-N 3.36Å; E65-L69 WeakPolarHBondContact O-CB 3.29Å; E65-L69 PolarHBondContact O-N 3.13Å
66	T	69.4	Low	64.2	Low	82 Å²	82	101.1 Å²	101.1	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-68.2	-37.6	179.6	48.8	0	0	0	0	112.7	K62 Q63 F64 S70	K62-T66 WeakPolarHBondContact O-CB 3.15Å; K62-T66 VanDerWaalsContact O-CG2 3.29Å; K62-T66 WeakPolarHBondContact O-CG2 3.13Å; K62-T66 PolarHBondContact O-N 3.44Å; K62-T66 PolarHBondContact O-OG1 2.87Å; Q63-T66 WeakPolarHBondContact CA-OG1 3.33Å; Q63-T66 PolarHBondContact O-OG1 2.86Å; Q63-T66 VanDerWaalsContact O-OG1 3.13Å; F64-T66 PolarHBondContact O-N 2.89Å; T66-S70 WeakPolarHBondContact O-CB 3.19Å; T66-S70 PolarHBondContact O-N 3.15Å; T66-S70 PolarHBondContact O-OG 3.4Å
67	K	61.8	Low	62.8	Low	134 Å²	134	104.3 Å²	104.3	58%	0.583	52%	0.524	S	S	*	.	H	α-helix	trans	-70.1	-45.8	173.6	-75.4	179.4	179.4	176.8	0	111.4	Q63 F64 S70 Q71	Q63-K67 VanDerWaalsContact O-CB 3.28Å; Q63-K67 WeakPolarHBondContact O-CB 3.25Å; Q63-K67 VanDerWaalsContact O-CG 3.28Å; Q63-K67 WeakPolarHBondContact O-CG 3.47Å; Q63-K67 PolarHBondContact O-N 3.36Å; F64-K67 PolarHBondContact O-N 2.91Å; K67-S70 PolarHBondContact O-N 3.4Å; K67-Q71 WeakPolarHBondContact O-CA 3.32Å; K67-Q71 WeakPolarHBondContact O-CB 3.46Å; K67-Q71 PolarHBondContact O-N 3.04Å
68	H	55	Low	61.4	Low	89 Å²	89	103.6 Å²	103.6	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-68.2	-39.4	-179.4	-104.9	-86.8	0	0	0	112.8	F64 E65 S70 Q71 D72	F64-H68 AromaticContact CD1-CD2 3.59Å; F64-H68 AromaticContact CE1-CD2 3.51Å; F64-H68 AromaticContact CE1-NE2 3.68Å; F64-H68 WeakPolarHBondContact O-CB 3.42Å; F64-H68 PolarHBondContact O-N 3.03Å; E65-H68 PolarHBondContact O-N 3.36Å; H68-S70 VanDerWaalsContact C-N 3.29Å; H68-S70 PolarHBondContact O-N 3.07Å; H68-Q71 PolarHBondContact O-N 2.98Å; H68-D72 IonicContact CE1-OD1 2.68Å; H68-D72 IonicContact CE1-OD2 2.76Å; H68-D72 IonicContact CG-OD2 3.85Å; H68-D72 IonicContact ND1-OD1 3.18Å; H68-D72 PolarHBondContact ND1-OD1 3.37Å; H68-D72 IonicContact ND1-OD2 3.7Å; H68-D72 PolarHBondContact ND1-OD2 3.45Å; H68-D72 VanDerWaalsContact O-CB 3.3Å; H68-D72 WeakPolarHBondContact O-CB 3.49Å; H68-D72 PolarHBondContact O-N 2.9Å
69	L	54.1	Low	59.7	Low	128 Å²	128	100.8 Å²	100.8	67%	0.67	52%	0.516	S	S	*	.	H	α-helix	trans	-63.5	-38.6	176.3	-111.8	90.1	0	0	0	112.1	E65	E65-L69 WeakPolarHBondContact O-CB 3.29Å; E65-L69 PolarHBondContact O-N 3.13Å
70	S	53.6	Low	57.7	Low	90 Å²	90	102.1 Å²	102.1	63%	0.629	53%	0.525	S	S	*	.	H	α-helix	trans	-76.1	-33.2	179.6	-50.4	0	0	0	0	111.7	T66 K67 H68	T66-S70 WeakPolarHBondContact O-CB 3.19Å; T66-S70 PolarHBondContact O-N 3.15Å; T66-S70 PolarHBondContact O-OG 3.4Å; K67-S70 PolarHBondContact O-N 3.4Å; H68-S70 VanDerWaalsContact C-N 3.29Å; H68-S70 PolarHBondContact O-N 3.07Å
71	Q	51.9	Low	56.3	Low	105 Å²	105	102.1 Å²	102.1	49%	0.491	53%	0.532	S	S	.	.	H	α-helix	trans	-91.8	-33.4	-172.5	-165.1	150.7	-5.5	0	0	112.9	K67 H68 L73 S74 D75	K67-Q71 WeakPolarHBondContact O-CA 3.32Å; K67-Q71 WeakPolarHBondContact O-CB 3.46Å; K67-Q71 PolarHBondContact O-N 3.04Å; H68-Q71 PolarHBondContact O-N 2.98Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 3.38Å; Q71-S74 CarbonylContact O-C 3.51Å; Q71-S74 PolarHBondContact O-N 2.85Å; Q71-S74 VanDerWaalsContact O-N 3.15Å; Q71-D75 HydrophobicContact CG-CB 4.29Å; Q71-D75 WeakPolarHBondContact CG-OD2 3.36Å; Q71-D75 PolarHBondContact NE2-OD2 3.47Å; Q71-D75 WeakPolarHBondContact O-CA 3.32Å; Q71-D75 WeakPolarHBondContact O-CB 3.46Å; Q71-D75 PolarHBondContact O-N 3.05Å
72	D	49.8	Very low	54.7	Low	94 Å²	94	105.3 Å²	105.3	50%	0.503	54%	0.541	S	S	.	.	H	α-helix	trans	-69.6	-30	176.5	-74.8	-25.8	0	0	0	112.5	H68 G76	H68-D72 IonicContact CE1-OD1 2.68Å; H68-D72 IonicContact CE1-OD2 2.76Å; H68-D72 IonicContact CG-OD2 3.85Å; H68-D72 IonicContact ND1-OD1 3.18Å; H68-D72 PolarHBondContact ND1-OD1 3.37Å; H68-D72 IonicContact ND1-OD2 3.7Å; H68-D72 PolarHBondContact ND1-OD2 3.45Å; H68-D72 VanDerWaalsContact O-CB 3.3Å; H68-D72 WeakPolarHBondContact O-CB 3.49Å; H68-D72 PolarHBondContact O-N 2.9Å; D72-G76 VanDerWaalsContact O-CA 3.29Å; D72-G76 WeakPolarHBondContact O-CA 3.46Å; D72-G76 PolarHBondContact O-N 3.4Å
73	L	49.6	Very low	52.7	Low	134 Å²	134	105.3 Å²	105.3	70%	0.702	55%	0.548	S	S	*	.	H	α-helix	trans	-70.8	-32.2	171.8	-80.9	162.8	0	0	0	112.1	Q71	Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 3.38Å
74	S	51.9	Low	51.1	Low	52 Å²	52	110.4 Å²	110.4	36%	0.364	57%	0.569	S	S	.	*	H	α-helix	trans	-79.6	-49.2	175.4	156.8	0	0	0	0	112.3	Q71 L77 N78	Q71-S74 CarbonylContact O-C 3.51Å; Q71-S74 PolarHBondContact O-N 2.85Å; Q71-S74 VanDerWaalsContact O-N 3.15Å; S74-L77 PolarHBondContact O-N 3.39Å; S74-N78 VanDerWaalsContact O-CB 3.26Å; S74-N78 WeakPolarHBondContact O-CB 3.49Å; S74-N78 VanDerWaalsContact O-CG 3.32Å; S74-N78 PolarHBondContact O-N 3.36Å; S74-N78 PolarHBondContact O-ND2 3.38Å; S74-N78 VanDerWaalsContact O-ND2 3.16Å; S74-N78 PolarHBondContact OG-ND2 2.99Å
75	D	49.5	Very low	49.9	Very low	55 Å²	55	112.1 Å²	112.1	29%	0.294	58%	0.578	S	S	.	*	H	α-helix	trans	-85.7	-22.1	-171.6	-69.3	-1.5	0	0	0	111.3	Q71 S79	Q71-D75 HydrophobicContact CG-CB 4.29Å; Q71-D75 WeakPolarHBondContact CG-OD2 3.36Å; Q71-D75 PolarHBondContact NE2-OD2 3.47Å; Q71-D75 WeakPolarHBondContact O-CA 3.32Å; Q71-D75 WeakPolarHBondContact O-CB 3.46Å; Q71-D75 PolarHBondContact O-N 3.05Å; D75-S79 WeakPolarHBondContact O-CA 3.1Å; D75-S79 WeakPolarHBondContact O-CB 3.46Å; D75-S79 PolarHBondContact O-N 3.01Å; D75-S79 PolarHBondContact O-OG 3.29Å
76	G	46.1	Very low	49.1	Very low	34 Å²	34	108 Å²	108	35%	0.351	56%	0.562	S	S	.	*	H	α-helix	trans	-62	-45.2	163.5	0	0	0	0	0	111	D72 I80	D72-G76 VanDerWaalsContact O-CA 3.29Å; D72-G76 WeakPolarHBondContact O-CA 3.46Å; D72-G76 PolarHBondContact O-N 3.4Å; G76-I80 WeakPolarHBondContact O-CD1 3.41Å; G76-I80 WeakPolarHBondContact O-CG1 3.36Å; G76-I80 PolarHBondContact O-N 3.21Å
77	L	46.2	Very low	48.2	Very low	126 Å²	126	108 Å²	108	66%	0.66	56%	0.561	S	S	*	*	H	α-helix	trans	-73.4	-37.3	176.6	-70.4	173.5	0	0	0	112.3	S74 Q81	S74-L77 PolarHBondContact O-N 3.39Å; L77-Q81 PolarHBondContact O-N 3.04Å
78	N	44	Very low	47.6	Very low	66 Å²	66	104.3 Å²	104.3	35%	0.353	55%	0.55	S	S	.	*	H	α-helix	trans	-81.7	-29.2	-179.9	-75.4	-39.4	0	0	0	113.9	S74 Q81 K82	S74-N78 VanDerWaalsContact O-CB 3.26Å; S74-N78 WeakPolarHBondContact O-CB 3.49Å; S74-N78 VanDerWaalsContact O-CG 3.32Å; S74-N78 PolarHBondContact O-N 3.36Å; S74-N78 PolarHBondContact O-ND2 3.38Å; S74-N78 VanDerWaalsContact O-ND2 3.16Å; S74-N78 PolarHBondContact OG-ND2 2.99Å; N78-Q81 CarbonylContact O-C 3.44Å; N78-Q81 WeakPolarHBondContact O-CA 3.33Å; N78-Q81 WeakPolarHBondContact O-CB 3.39Å; N78-Q81 PolarHBondContact O-N 3.4Å; N78-Q81 VanDerWaalsContact O-N 3.16Å; N78-K82 WeakPolarHBondContact O-CB 3.17Å; N78-K82 WeakPolarHBondContact O-CG 3.26Å; N78-K82 PolarHBondContact O-N 3.17Å
79	S	44.6	Very low	47.5	Very low	66 Å²	66	109.5 Å²	109.5	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-76.8	-32.2	176.9	-60.5	0	0	0	0	111.6	D75 Q81 K82 L83	D75-S79 WeakPolarHBondContact O-CA 3.1Å; D75-S79 WeakPolarHBondContact O-CB 3.46Å; D75-S79 PolarHBondContact O-N 3.01Å; D75-S79 PolarHBondContact O-OG 3.29Å; S79-Q81 PolarHBondContact O-N 3.42Å; S79-K82 PolarHBondContact O-N 2.82Å; S79-K82 VanDerWaalsContact O-N 3.14Å; S79-L83 PolarHBondContact O-N 3.38Å
80	I	40.5	Very low	47.9	Very low	142 Å²	142	107.2 Å²	107.2	73%	0.728	55%	0.55	S	S	*	*	H	α-helix	trans	-62.5	-30.4	165.8	-66	170.9	0	0	0	110.3	G76	G76-I80 WeakPolarHBondContact O-CD1 3.41Å; G76-I80 WeakPolarHBondContact O-CG1 3.36Å; G76-I80 PolarHBondContact O-N 3.21Å
81	Q	46.4	Very low	48.6	Very low	158 Å²	158	108 Å²	108	74%	0.738	55%	0.551	S	S	*	*	H	α-helix	trans	-84.5	-20.6	170.9	-76.1	-176.8	-14.6	0	0	115	L77 N78 S79	L77-Q81 PolarHBondContact O-N 3.04Å; N78-Q81 CarbonylContact O-C 3.44Å; N78-Q81 WeakPolarHBondContact O-CA 3.33Å; N78-Q81 WeakPolarHBondContact O-CB 3.39Å; N78-Q81 PolarHBondContact O-N 3.4Å; N78-Q81 VanDerWaalsContact O-N 3.16Å; S79-Q81 PolarHBondContact O-N 3.42Å
82	K	42.1	Very low	49.4	Very low	166 Å²	166	106.1 Å²	106.1	72%	0.722	54%	0.544	S	S	*	.	H	α-helix	trans	-103.4	-2.9	-174	-88.2	-176	-179.9	174.1	0	115.4	N78 S79 K84	N78-K82 WeakPolarHBondContact O-CB 3.17Å; N78-K82 WeakPolarHBondContact O-CG 3.26Å; N78-K82 PolarHBondContact O-N 3.17Å; S79-K82 PolarHBondContact O-N 2.82Å; S79-K82 VanDerWaalsContact O-N 3.14Å; K82-K84 PolarHBondContact O-N 3.42Å
83	L	39.8	Very low	50.5	Low	147 Å²	147	103.5 Å²	103.5	77%	0.77	53%	0.533	S	S	*	.	S	Bend	trans	-57.8	91.2	153	-77.9	172.3	0	0	0	106.1	S79 H85	S79-L83 PolarHBondContact O-N 3.38Å; L83-H85 PolarHBondContact O-N 2.92Å
84	K	42.9	Very low	51.6	Low	188 Å²	188	104.7 Å²	104.7	82%	0.817	53%	0.534	S	S	*	.			trans	-48.2	114.5	171.2	-83.3	-178.8	177.8	174	0	103.9	K82 V86	K82-K84 PolarHBondContact O-N 3.42Å; K84-V86 PolarHBondContact O-N 3.32Å
85	H	42.9	Very low	52.6	Low	168 Å²	168	110.4 Å²	110.4	78%	0.778	55%	0.553	S	S	*	*			trans	-62.1	92.5	179.1	-147.4	-26.9	0	0	0	105.7	L83 V87	L83-H85 PolarHBondContact O-N 2.92Å; H85-V87 PolarHBondContact O-N 2.8Å
86	V	48	Very low	53.6	Low	45 Å²	45	109 Å²	109	27%	0.273	55%	0.546	S	S	.	.			trans	-61.6	114.4	178.4	161.2	0	0	0	0	104.6	K84 V88 V315 E403	K84-V86 PolarHBondContact O-N 3.32Å; V86-V88 PolarHBondContact O-N 3.1Å; V86-V315 HydrophobicContact CG1-CB 4.27Å; V86-E403 VanDerWaalsContact CG1-OE1 3.31Å; V86-E403 WeakPolarHBondContact CG1-OE1 3.47Å
87	V	51.1	Low	54.8	Low	81 Å²	81	113.4 Å²	113.4	49%	0.491	55%	0.551	S	S	.	*			trans	-59.1	115.3	-171.6	173.4	0	0	0	0	107.7	H85 R89 K90 N316	H85-V87 PolarHBondContact O-N 2.8Å; V87-R89 PolarHBondContact O-N 2.88Å; V87-K90 HydrophobicContact CG1-CG 4.35Å; V87-N316 PolarHBondContact O-ND2 2.84Å
88	V	49.1	Very low	55.7	Low	57 Å²	57	113.1 Å²	113.1	35%	0.345	56%	0.557	S	S	.	*	S	Bend	trans	-65.1	-20.6	-164.3	-177.9	0	0	0	0	112	V86 N316 N317	V86-V88 PolarHBondContact O-N 3.1Å; V88-N316 WeakPolarHBondContact CA-ND2 3.45Å; V88-N316 PolarHBondContact O-ND2 3.23Å; V88-N317 HydrophobicContact CG1-CB 4.03Å
89	R	54.3	Low	56.9	Low	197 Å²	197	119.2 Å²	119.2	74%	0.743	58%	0.58	S	S	*	*			trans	-147.6	89	177.5	-63.3	-173.5	179.3	-173.2	-0.9	112	V87	V87-R89 PolarHBondContact O-N 2.88Å
90	K	62	Low	57.6	Low	80 Å²	80	122 Å²	122	35%	0.348	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-79	117.4	161.1	-79.1	-178	177.8	166.9	0	108.9	V87 Y396 E403	V87-K90 HydrophobicContact CG1-CG 4.35Å; K90-Y396 HydrophobicContact CB-CE2 3.94Å; K90-E403 IonicContact NZ-OE2 3.05Å; K90-E403 PolarHBondContact NZ-OE2 2.76Å
91	T	67.2	Low	58.2	Low	106 Å²	106	123.2 Å²	123.2	65%	0.65	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-79.6	141.5	169	50.8	0	0	0	0	109
92	I	68.8	Low	58.4	Low	67 Å²	67	126.6 Å²	126.6	34%	0.344	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-59.5	123.9	172.3	-60.9	172.2	0	0	0	106.8	D96 R97 Y396	I92-D96 HydrophobicContact CG2-CB 3.69Å; I92-R97 HydrophobicContact CB-CG 4.15Å; I92-R97 HydrophobicContact CG2-CG 3.9Å; I92-R97 PolarHBondContact O-NE 3.29Å; I92-R97 PolarHBondContact O-NH2 2.9Å; I92-Y396 HydrophobicContact CG1-CD1 4.25Å; I92-Y396 HydrophobicContact CG1-CD2 4.41Å; I92-Y396 HydrophobicContact CG1-CE1 4.32Å; I92-Y396 HydrophobicContact CG1-CE2 4.47Å; I92-Y396 HydrophobicContact CG1-CG 4.31Å
93	P	73	Confident	58.7	Low	39 Å²	39	126.5 Å²	126.5	25%	0.253	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-58.2	144	178.7	23.5	-31.2	0	0	0	109	K95 D96 R97	P93-K95 HydrophobicContact CB-CG 4.01Å; P93-K95 HydrophobicContact CG-CG 4.49Å; P93-K95 PolarHBondContact O-N 3.04Å; P93-K95 VanDerWaalsContact O-N 3.07Å; P93-D96 HydrophobicContact CG-CB 4.06Å; P93-D96 WeakPolarHBondContact CG-OD2 3.21Å; P93-D96 PolarHBondContact O-N 3.41Å; P93-R97 PolarHBondContact O-N 3.22Å
94	E	72.5	Confident	58.9	Low	158 Å²	158	125 Å²	125	74%	0.738	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-54.9	-35.1	-170.4	-170.1	171.8	-173.9	0	0	113.3	D96 R97	E94-D96 VanDerWaalsContact C-N 3.25Å; E94-D96 PolarHBondContact O-N 3.5Å; E94-R97 PolarHBondContact O-N 3.22Å
95	K	74.2	Confident	59	Low	172 Å²	172	120.1 Å²	120.1	75%	0.748	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-59.7	-26.4	173.6	41.2	-179.7	173.7	176.9	0	115	P93	P93-K95 HydrophobicContact CB-CG 4.01Å; P93-K95 HydrophobicContact CG-CG 4.49Å; P93-K95 PolarHBondContact O-N 3.04Å; P93-K95 VanDerWaalsContact O-N 3.07Å
96	D	69.2	Low	58.8	Low	27 Å²	27	118.4 Å²	118.4	14%	0.144	61%	0.607	C	S	.	*	G	3₁₀ helix	trans	-102.6	-4.2	-178.2	-64.2	-3.1	0	0	0	112.3	I92 P93 E94 T395 Y396	I92-D96 HydrophobicContact CG2-CB 3.69Å; P93-D96 HydrophobicContact CG-CB 4.06Å; P93-D96 WeakPolarHBondContact CG-OD2 3.21Å; P93-D96 PolarHBondContact O-N 3.41Å; E94-D96 VanDerWaalsContact C-N 3.25Å; E94-D96 PolarHBondContact O-N 3.5Å; D96-T395 PolarHBondContact OD2-N 3.38Å; D96-T395 PolarHBondContact OD2-OG1 2.83Å; D96-Y396 PolarHBondContact OD2-N 3.4Å
97	R	70.9	Confident	58.3	Low	126 Å²	126	124 Å²	124	48%	0.475	64%	0.635	S	S	.	*	S	Bend	trans	-72	140.5	177.9	-67.4	-178	-162.3	165.6	6.8	110.2	I92 P93 E94 K99	I92-R97 HydrophobicContact CB-CG 4.15Å; I92-R97 HydrophobicContact CG2-CG 3.9Å; I92-R97 PolarHBondContact O-NE 3.29Å; I92-R97 PolarHBondContact O-NH2 2.9Å; P93-R97 PolarHBondContact O-N 3.22Å; E94-R97 PolarHBondContact O-N 3.22Å; R97-K99 PolarHBondContact O-N 2.81Å
98	P	66.3	Low	57.8	Low	120 Å²	120	131.4 Å²	131.4	78%	0.779	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-59.3	127.8	173.4	25	-32	0	0	0	109.1
99	K	68.3	Low	57.4	Low	193 Å²	193	137.5 Å²	137.5	84%	0.839	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-59.7	134.4	173.9	-67.8	178.8	-179.3	177.9	0	108.2	R97 M101	R97-K99 PolarHBondContact O-N 2.81Å; K99-M101 PolarHBondContact O-N 3.43Å
100	P	60.8	Low	56.4	Low	125 Å²	125	131.2 Å²	131.2	81%	0.812	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-55.2	127.1	176.9	21.4	-30.9	0	0	0	108.9	R102	P100-R102 PolarHBondContact O-N 3.31Å
101	M	52.1	Low	55.5	Low	168 Å²	168	131.2 Å²	131.2	83%	0.828	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-58.4	123.7	176	-76.2	178.2	63.3	0	0	107.9	K99 N103	K99-M101 PolarHBondContact O-N 3.43Å; M101-N103 PolarHBondContact O-N 2.88Å
102	R	50.5	Low	54.7	Low	229 Å²	229	134.4 Å²	134.4	86%	0.864	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-58.6	133.4	166.5	-129.7	178.1	-172.2	141.6	1.5	106.5	P100 V104	P100-R102 PolarHBondContact O-N 3.31Å; R102-V104 VanDerWaalsContact C-N 3.34Å; R102-V104 WeakPolarHBondContact O-CG2 3.3Å; R102-V104 PolarHBondContact O-N 2.86Å
103	N	47.8	Very low	53.9	Low	164 Å²	164	138.4 Å²	138.4	88%	0.877	71%	0.706	S	S	*	*			trans	-54.9	100.1	175	-72.4	-15.3	0	0	0	108.8	M101 A105	M101-N103 PolarHBondContact O-N 2.88Å; N103-A105 PolarHBondContact O-N 3.13Å
104	V	45.5	Very low	52.4	Low	116 Å²	116	138.7 Å²	138.7	70%	0.703	71%	0.708	S	S	*	*			trans	-79	103.1	172.8	-179.6	0	0	0	0	105.1	R102 V106	R102-V104 VanDerWaalsContact C-N 3.34Å; R102-V104 WeakPolarHBondContact O-CG2 3.3Å; R102-V104 PolarHBondContact O-N 2.86Å; V104-V106 PolarHBondContact O-N 2.91Å; V104-V106 VanDerWaalsContact O-N 3.09Å
105	A	43.6	Very low	51.3	Low	84 Å²	84	139.6 Å²	139.6	69%	0.694	71%	0.713	S	S	*	*			trans	-63.6	111.6	167.4	0	0	0	0	0	107.5	N103 L107	N103-A105 PolarHBondContact O-N 3.13Å; A105-L107 PolarHBondContact O-N 3.42Å
106	V	39.6	Very low	49.6	Very low	133 Å²	133	137 Å²	137	81%	0.806	71%	0.706	S	S	*	*			trans	-70.1	103.8	168.6	-179.5	0	0	0	0	106.1	V104 R108	V104-V106 PolarHBondContact O-N 2.91Å; V104-V106 VanDerWaalsContact O-N 3.09Å; V106-R108 PolarHBondContact O-N 3.4Å
107	L	37.7	Very low	48	Very low	163 Å²	163	138.4 Å²	138.4	85%	0.853	72%	0.722	S	S	*	*			trans	-58.8	111.4	173.4	-72.3	169	0	0	0	107.8	A105 K109	A105-L107 PolarHBondContact O-N 3.42Å; L107-K109 PolarHBondContact O-N 3.19Å
108	R	40.8	Very low	46.6	Very low	236 Å²	236	140.5 Å²	140.5	89%	0.891	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-60.2	138.6	173.7	-156.5	-174.9	-76	166	-5.5	107.3	V106 A110	V106-R108 PolarHBondContact O-N 3.4Å; R108-A110 PolarHBondContact O-N 3.32Å
109	K	39.4	Very low	45.1	Very low	184 Å²	184	142.1 Å²	142.1	80%	0.8	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-50.7	125.8	175.2	-159.8	-175.8	-180	-159.3	0	108.2	L107	L107-K109 PolarHBondContact O-N 3.19Å
110	A	34.7	Very low	43.3	Very low	65 Å²	65	140 Å²	140	54%	0.537	73%	0.73	S	S	.	*	P	Polyproline II helix	trans	-57.6	143.5	178	0	0	0	0	0	109.8	R108	R108-A110 PolarHBondContact O-N 3.32Å
111	S	42.6	Very low	41.8	Very low	80 Å²	80	139.6 Å²	139.6	56%	0.559	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-56.4	147	174.2	-167.4	0	0	0	0	110	D113 S114	S111-D113 PolarHBondContact O-N 2.96Å; S111-D113 VanDerWaalsContact O-N 3.08Å; S111-S114 WeakPolarHBondContact O-CB 3.35Å; S111-S114 PolarHBondContact O-N 3.42Å
112	E	50	Low	40.9	Very low	174 Å²	174	136.7 Å²	136.7	81%	0.813	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-23.6	179.6	-63.1	-173.1	165.7	0	0	112.2	S114	E112-S114 VanDerWaalsContact C-N 3.34Å; E112-S114 PolarHBondContact O-N 3.14Å
113	D	52.4	Low	39.8	Very low	151 Å²	151	132.6 Å²	132.6	81%	0.807	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	0.1	178.7	-55.2	-38.2	0	0	0	114.6	S111	S111-D113 PolarHBondContact O-N 2.96Å; S111-D113 VanDerWaalsContact O-N 3.08Å
114	S	41.2	Very low	38.9	Very low	44 Å²	44	129.5 Å²	129.5	31%	0.308	71%	0.707	S	S	.	*			trans	-82.3	121.8	178.3	-169.6	0	0	0	0	110.9	S111 E112 L116 A117	S111-S114 WeakPolarHBondContact O-CB 3.35Å; S111-S114 PolarHBondContact O-N 3.42Å; E112-S114 VanDerWaalsContact C-N 3.34Å; E112-S114 PolarHBondContact O-N 3.14Å; S114-L116 PolarHBondContact O-N 3.15Å; S114-A117 WeakPolarHBondContact O-CB 3.39Å; S114-A117 PolarHBondContact O-N 3.36Å
115	Q	50.2	Low	38.1	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-54.7	-15.7	175.6	-69	179.7	-6.4	0	0	114.2	A117	Q115-A117 VanDerWaalsContact C-N 3.26Å; Q115-A117 PolarHBondContact O-N 3.14Å
116	L	37.6	Very low	37.5	Very low	118 Å²	118	137.4 Å²	137.4	62%	0.618	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-72.2	-16.9	174.1	-69.2	170.7	0	0	0	113.4	S114 E118 Q119	S114-L116 PolarHBondContact O-N 3.15Å; L116-E118 PolarHBondContact O-N 3.07Å; L116-Q119 PolarHBondContact O-N 3.47Å
117	A	36.1	Very low	36.9	Very low	56 Å²	56	138.7 Å²	138.7	46%	0.463	72%	0.721	S	S	.	*	G	3₁₀ helix	trans	-63.8	-25.7	177.1	0	0	0	0	0	112.7	S114 Q115 Q119	S114-A117 WeakPolarHBondContact O-CB 3.39Å; S114-A117 PolarHBondContact O-N 3.36Å; Q115-A117 VanDerWaalsContact C-N 3.26Å; Q115-A117 PolarHBondContact O-N 3.14Å; A117-Q119 VanDerWaalsContact C-N 3.26Å; A117-Q119 PolarHBondContact O-N 3.29Å
118	E	40.5	Very low	36.6	Very low	171 Å²	171	139.9 Å²	139.9	80%	0.799	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-74.5	-12.9	-179	-63.8	-172.3	171.1	0	0	113.8	L116	L116-E118 PolarHBondContact O-N 3.07Å
119	Q	35.4	Very low	36	Very low	153 Å²	153	140.4 Å²	140.4	72%	0.715	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-84.5	-9.2	-178.6	-68.3	-169	-14.4	0	0	114.3	L116 A117 T121	L116-Q119 PolarHBondContact O-N 3.47Å; A117-Q119 VanDerWaalsContact C-N 3.26Å; A117-Q119 PolarHBondContact O-N 3.29Å; Q119-T121 VanDerWaalsContact C-N 3.34Å; Q119-T121 PolarHBondContact O-N 3.32Å
120	I	30.2	Very low	35.4	Very low	148 Å²	148	139.7 Å²	139.7	76%	0.759	73%	0.726	S	S	*	*			trans	-92.2	77.8	173.3	-51.3	-179.5	0	0	0	108.1	S122	I120-S122 PolarHBondContact O-N 3.25Å
121	T	30.3	Very low	35.1	Very low	118 Å²	118	141.9 Å²	141.9	72%	0.724	74%	0.737	S	S	*	*			trans	-70.6	93.5	175.9	-26	0	0	0	0	109	Q119 I123	Q119-T121 VanDerWaalsContact C-N 3.34Å; Q119-T121 PolarHBondContact O-N 3.32Å; T121-I123 PolarHBondContact O-N 3.4Å
122	S	32.6	Very low	34.4	Very low	106 Å²	106	148.5 Å²	148.5	74%	0.741	76%	0.756	S	S	*	*			trans	-68.4	101	161.9	55.3	0	0	0	0	107.5	I120 S124	I120-S122 PolarHBondContact O-N 3.25Å; S122-S124 PolarHBondContact O-N 3.35Å
123	I	26.9	Very low	33.2	Very low	143 Å²	143	151.5 Å²	151.5	73%	0.733	76%	0.76	S	S	*	*			trans	-55.2	110.4	176.7	-65.1	164.1	0	0	0	108.2	T121 Y125	T121-I123 PolarHBondContact O-N 3.4Å; I123-Y125 PolarHBondContact O-N 3.21Å; I123-Y125 VanDerWaalsContact O-N 3.12Å
124	S	30.2	Very low	32.1	Very low	100 Å²	100	155.2 Å²	155.2	70%	0.699	76%	0.763	S	S	*	*			trans	-69.5	102.5	175.7	-175.4	0	0	0	0	108.5	S122 N126	S122-S124 PolarHBondContact O-N 3.35Å; S124-N126 PolarHBondContact O-N 2.98Å
125	Y	28.8	Very low	31.7	Very low	216 Å²	216	159.2 Å²	159.2	85%	0.847	79%	0.787	S	S	*	*			trans	-67.4	120.2	170.7	-107	-91.2	0	0	0	108.8	I123 N127	I123-Y125 PolarHBondContact O-N 3.21Å; I123-Y125 VanDerWaalsContact O-N 3.12Å; Y125-N127 PolarHBondContact O-N 3.47Å
126	N	30.6	Very low	31	Very low	149 Å²	149	155 Å²	155	80%	0.797	78%	0.778	S	S	*	*			trans	-42.8	119.5	-173.3	-99.2	-41.6	0	0	0	114.6	S124 K128	S124-N126 PolarHBondContact O-N 2.98Å; N126-K128 PolarHBondContact O-N 2.93Å
127	N	27.1	Very low	30.9	Very low	160 Å²	160	157.6 Å²	157.6	86%	0.856	79%	0.792	S	S	*	*			trans	-60.8	88.2	166.4	-80.6	-29.7	0	0	0	111.3	Y125	Y125-N127 PolarHBondContact O-N 3.47Å
128	K	31.8	Very low	31	Very low	189 Å²	189	158.9 Å²	158.9	82%	0.822	79%	0.791	S	S	*	*			trans	-112.6	90.9	161.3	-81.5	-174.4	178.1	178	0	110.3	N126	N126-K128 PolarHBondContact O-N 2.93Å
129	R	27.4	Very low	30.9	Very low	246 Å²	246	155.6 Å²	155.6	93%	0.928	78%	0.779	S	S	*	*			trans	56.8	69.9	137.3	-145.6	-177.3	-151.6	-163.1	6	115.7
130	L	27.8	Very low	31.1	Very low	170 Å²	170	154.3 Å²	154.3	89%	0.89	77%	0.767	S	S	*	*			trans	-108	119.4	156.9	-71.2	171.4	0	0	0	108.4
131	S	27.6	Very low	31.6	Very low	111 Å²	111	155.2 Å²	155.2	78%	0.776	77%	0.768	S	S	*	*			trans	-56.9	137.2	-175.6	38	0	0	0	0	111.7	R133	S131-R133 VanDerWaalsContact C-N 3.33Å; S131-R133 PolarHBondContact O-N 3.01Å
132	F	27.2	Very low	31.9	Very low	218 Å²	218	154 Å²	154	96%	0.956	76%	0.764	S	S	*	*			trans	-52.4	89.7	170.4	-68	-90.8	0	0	0	110.7	R134	F132-R134 PolarHBondContact O-N 2.98Å
133	R	25.9	Very low	32	Very low	238 Å²	238	151.5 Å²	151.5	90%	0.898	75%	0.75	S	S	*	*			trans	-75.6	119.9	162.6	-163.9	-178.1	-73.7	-137.7	2.7	105.7	S131	S131-R133 VanDerWaalsContact C-N 3.33Å; S131-R133 PolarHBondContact O-N 3.01Å
134	R	27.8	Very low	32.4	Very low	229 Å²	229	147.8 Å²	147.8	86%	0.864	75%	0.747	S	S	*	*			trans	-45.1	139.3	174.7	-77.3	-179.2	-179.2	165.6	-0.3	109.5	F132 S136	F132-R134 PolarHBondContact O-N 2.98Å; R134-S136 PolarHBondContact O-N 2.91Å
135	P	33.2	Very low	32.8	Very low	127 Å²	127	152.1 Å²	152.1	83%	0.825	76%	0.761	S	S	*	*			trans	-59.5	108.1	177.9	24.4	-30.6	0	0	0	107.5	N137	P135-N137 PolarHBondContact O-N 3.29Å
136	S	35.6	Very low	33.3	Very low	89 Å²	89	143.6 Å²	143.6	62%	0.622	74%	0.739	S	S	*	*			trans	-55.1	131.7	166.7	46	0	0	0	0	107.1	R134 I138	R134-S136 PolarHBondContact O-N 2.91Å; S136-I138 VanDerWaalsContact C-N 3.26Å; S136-I138 WeakPolarHBondContact O-CG1 3.39Å; S136-I138 PolarHBondContact O-N 2.99Å
137	N	36.6	Very low	34.2	Very low	172 Å²	172	140.7 Å²	140.7	92%	0.92	73%	0.728	S	S	*	*			trans	-57.8	90.3	177.2	-146.7	4.1	0	0	0	108	P135 N139	P135-N137 PolarHBondContact O-N 3.29Å; N137-N139 PolarHBondContact O-N 3.44Å
138	I	37.5	Very low	35.3	Very low	84 Å²	84	136.2 Å²	136.2	43%	0.431	70%	0.7	S	S	.	*			trans	-72.9	115.6	-177.5	-76.7	150	0	0	0	105.8	S136 W140	S136-I138 VanDerWaalsContact C-N 3.26Å; S136-I138 WeakPolarHBondContact O-CG1 3.39Å; S136-I138 PolarHBondContact O-N 2.99Å; I138-W140 VanDerWaalsContact C-N 3.32Å; I138-W140 HydrophobicContact CB-CZ2 4.03Å; I138-W140 HydrophobicContact CD1-CZ2 4.38Å; I138-W140 HydrophobicContact CG2-CD2 3.8Å; I138-W140 HydrophobicContact CG2-CE3 4.04Å; I138-W140 HydrophobicContact CG2-CG 4.35Å; I138-W140 HydrophobicContact CG2-CH2 4.05Å; I138-W140 HydrophobicContact CG2-CZ2 3.85Å; I138-W140 HydrophobicContact CG2-CZ3 4.15Å; I138-W140 PolarHBondContact O-N 3.34Å; I138-W140 PolarHBondContact O-NE1 2.92Å
139	N	39.5	Very low	36.3	Very low	102 Å²	102	133.2 Å²	133.2	55%	0.545	69%	0.687	S	S	.	*			trans	-72.7	90.5	175.7	-171	-4.8	0	0	0	108.7	N137 H141 S142	N137-N139 PolarHBondContact O-N 3.44Å; N139-H141 PolarHBondContact O-N 3.33Å; N139-H141 VanDerWaalsContact O-N 3.12Å; N139-H141 PolarHBondContact OD1-N 2.91Å; N139-S142 PolarHBondContact O-N 2.89Å
140	W	38.8	Very low	37.2	Very low	125 Å²	125	122.4 Å²	122.4	47%	0.473	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-61.3	-21.2	-175	-61.2	100	0	0	0	113.3	I138 S142 R148	I138-W140 VanDerWaalsContact C-N 3.32Å; I138-W140 HydrophobicContact CB-CZ2 4.03Å; I138-W140 HydrophobicContact CD1-CZ2 4.38Å; I138-W140 HydrophobicContact CG2-CD2 3.8Å; I138-W140 HydrophobicContact CG2-CE3 4.04Å; I138-W140 HydrophobicContact CG2-CG 4.35Å; I138-W140 HydrophobicContact CG2-CH2 4.05Å; I138-W140 HydrophobicContact CG2-CZ2 3.85Å; I138-W140 HydrophobicContact CG2-CZ3 4.15Å; I138-W140 PolarHBondContact O-N 3.34Å; I138-W140 PolarHBondContact O-NE1 2.92Å; W140-S142 VanDerWaalsContact C-N 3.32Å; W140-S142 PolarHBondContact O-N 2.68Å; W140-R148 PolarHBondContact O-NH1 2.87Å
141	H	39.7	Very low	37.9	Very low	168 Å²	168	120.1 Å²	120.1	78%	0.778	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-69.1	-24.6	-179.7	-63.5	-2.9	0	0	0	113.6	N139	N139-H141 PolarHBondContact O-N 3.33Å; N139-H141 VanDerWaalsContact O-N 3.12Å; N139-H141 PolarHBondContact OD1-N 2.91Å
142	S	36.7	Very low	38.7	Very low	93 Å²	93	122 Å²	122	65%	0.65	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-84.9	-9	-175	-47.1	0	0	0	0	114.2	N139 W140	N139-S142 PolarHBondContact O-N 2.89Å; W140-S142 VanDerWaalsContact C-N 3.32Å; W140-S142 PolarHBondContact O-N 2.68Å
143	A	35.6	Very low	39.5	Very low	52 Å²	52	114 Å²	114	43%	0.43	62%	0.62	S	S	.	*	S	Bend	trans	-111.8	119.3	-177.1	0	0	0	0	0	110.1	R148	A143-R148 PolarHBondContact O-NH2 2.97Å
144	G	35.1	Very low	40.6	Very low	66 Å²	66	106.8 Å²	106.8	68%	0.68	60%	0.602	S	S	*	*			trans	-58.9	175.5	-174.3	0	0	0	0	0	116.1	G146	G144-G146 PolarHBondContact O-N 3.21Å
145	L	38.5	Very low	41.3	Very low	190 Å²	190	100.6 Å²	100.6	100%	0.995	58%	0.582	S	S	*	*	S	Bend	trans	-68.7	106.3	-177.5	-64	164.5	0	0	0	110.4
146	G	39.6	Very low	42.2	Very low	38 Å²	38	96.6 Å²	96.6	39%	0.392	55%	0.553	S	S	.	*	S	Bend	trans	-179.3	166.2	178.8	0	0	0	0	0	112.6	G144 R148 S159	G144-G146 PolarHBondContact O-N 3.21Å; G146-R148 PolarHBondContact O-N 2.89Å; G146-S159 PolarHBondContact O-OG 2.87Å
147	P	49.3	Very low	42.6	Very low	87 Å²	87	101 Å²	101	57%	0.565	56%	0.561	S	S	*	*			trans	-61.9	124.7	178	25.4	-33.1	0	0	0	110.9	F155	P147-F155 HydrophobicContact CB-CD2 4.39Å; P147-F155 HydrophobicContact CB-CE2 3.81Å
148	R	49.1	Very low	43.2	Very low	66 Å²	66	98.1 Å²	98.1	25%	0.249	54%	0.542	C	S	.	.			trans	-95.3	144.3	-178.9	-63.1	177.8	-166.6	-125.1	-1	111.4	W140 A143 G146 L156 S159	W140-R148 PolarHBondContact O-NH1 2.87Å; A143-R148 PolarHBondContact O-NH2 2.97Å; G146-R148 PolarHBondContact O-N 2.89Å; R148-L156 HydrophobicContact CB-CD1 4.13Å; R148-L156 PolarHBondContact O-N 3.1Å; R148-S159 VanDerWaalsContact CB-OG 3.29Å; R148-S159 WeakPolarHBondContact CB-OG 3.48Å; R148-S159 VanDerWaalsContact CG-OG 3.24Å; R148-S159 WeakPolarHBondContact CG-OG 2.96Å; R148-S159 PolarHBondContact N-OG 2.94Å
149	F	53.9	Low	43.7	Very low	126 Å²	126	94.8 Å²	94.8	55%	0.553	53%	0.526	S	S	*	.	B	Isolated β-bridge	trans	-116.2	145.9	176.2	-60.7	-93.7	0	0	0	109.3	G153 T154 F155	F149-G153 WeakPolarHBondContact CD1-O 3.48Å; F149-T154 CarbonylContact C-O 3.57Å; F149-T154 VanDerWaalsContact CA-O 3.25Å; F149-T154 WeakPolarHBondContact CA-O 3.34Å; F149-F155 HydrophobicContact CD1-CB 4.44Å; F149-F155 HydrophobicContact CE1-CB 4.33Å; F149-F155 HydrophobicContact CE1-CD2 4.48Å
150	S	45.1	Very low	43.9	Very low	19 Å²	19	96.4 Å²	96.4	13%	0.133	53%	0.534	C	S	.	.			trans	-62.8	163.8	167.5	83.3	0	0	0	0	110.2	E152 G153 T154	S150-E152 VanDerWaalsContact CB-OE2 3.31Å; S150-E152 WeakPolarHBondContact CB-OE2 3.48Å; S150-E152 PolarHBondContact O-N 3.1Å; S150-E152 PolarHBondContact OG-N 3.29Å; S150-E152 PolarHBondContact OG-OE2 2.87Å; S150-G153 PolarHBondContact O-N 3.21Å; S150-T154 WeakPolarHBondContact CB-OG1 3.36Å; S150-T154 PolarHBondContact N-O 3.36Å; S150-T154 PolarHBondContact OG-N 3.47Å; S150-T154 PolarHBondContact OG-OG1 3.22Å
151	P	43.6	Very low	44.4	Very low	123 Å²	123	95.9 Å²	95.9	80%	0.799	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-26.2	172	-25.7	35	0	0	0	113.5	G153	P151-G153 VanDerWaalsContact C-N 3.29Å
152	E	43.7	Very low	45	Very low	150 Å²	150	89.7 Å²	89.7	70%	0.701	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	4	177.2	-54.5	70.7	-151.3	0	0	113.3	S150	S150-E152 VanDerWaalsContact CB-OE2 3.31Å; S150-E152 WeakPolarHBondContact CB-OE2 3.48Å; S150-E152 PolarHBondContact O-N 3.1Å; S150-E152 PolarHBondContact OG-N 3.29Å; S150-E152 PolarHBondContact OG-OE2 2.87Å
153	G	44.4	Very low	46.2	Very low	50 Å²	50	88.8 Å²	88.8	52%	0.515	51%	0.509	S	S	.	.	S	Bend	trans	79.8	12	178.1	0	0	0	0	0	114.8	F149 S150 P151	F149-G153 WeakPolarHBondContact CD1-O 3.48Å; S150-G153 PolarHBondContact O-N 3.21Å; P151-G153 VanDerWaalsContact C-N 3.29Å
154	T	49.4	Very low	47.6	Very low	86 Å²	86	88.4 Å²	88.4	53%	0.528	50%	0.502	S	S	.	.			trans	-84.5	137.3	176.2	57.4	0	0	0	0	112.1	F149 S150 L156	F149-T154 CarbonylContact C-O 3.57Å; F149-T154 VanDerWaalsContact CA-O 3.25Å; F149-T154 WeakPolarHBondContact CA-O 3.34Å; S150-T154 WeakPolarHBondContact CB-OG1 3.36Å; S150-T154 PolarHBondContact N-O 3.36Å; S150-T154 PolarHBondContact OG-N 3.47Å; S150-T154 PolarHBondContact OG-OG1 3.22Å; T154-L156 PolarHBondContact O-N 3.38Å
155	F	43.2	Very low	49.4	Very low	100 Å²	100	86.4 Å²	86.4	44%	0.439	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-67.8	126.8	-179.5	175	-106.1	0	0	0	112.1	P147 F149 K157 I160	P147-F155 HydrophobicContact CB-CD2 4.39Å; P147-F155 HydrophobicContact CB-CE2 3.81Å; F149-F155 HydrophobicContact CD1-CB 4.44Å; F149-F155 HydrophobicContact CE1-CB 4.33Å; F149-F155 HydrophobicContact CE1-CD2 4.48Å; F155-K157 HydrophobicContact CD1-CG 4.15Å; F155-K157 HydrophobicContact CE1-CB 4.45Å; F155-K157 HydrophobicContact CE1-CG 4.19Å; F155-K157 PolarHBondContact O-N 3.28Å; F155-I160 HydrophobicContact CZ-CD1 4.36Å; F155-I160 HydrophobicContact CZ-CG1 4.4Å
156	L	51.1	Low	50.7	Low	43 Å²	43	81.5 Å²	81.5	23%	0.225	45%	0.451	C	S	.	.			trans	-87.5	102	176.8	-67.4	169.6	0	0	0	110.1	R148 T154 H158 S159	R148-L156 HydrophobicContact CB-CD1 4.13Å; R148-L156 PolarHBondContact O-N 3.1Å; T154-L156 PolarHBondContact O-N 3.38Å; L156-H158 PolarHBondContact O-N 3.41Å; L156-S159 WeakPolarHBondContact O-CB 3.27Å; L156-S159 PolarHBondContact O-N 3.06Å
157	K	45	Very low	52.2	Low	180 Å²	180	83.5 Å²	83.5	78%	0.783	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-54.4	-29.7	-172.3	-68.3	-179.4	-179.5	174.4	0	115.6	F155 S159	F155-K157 HydrophobicContact CD1-CG 4.15Å; F155-K157 HydrophobicContact CE1-CB 4.45Å; F155-K157 HydrophobicContact CE1-CG 4.19Å; F155-K157 PolarHBondContact O-N 3.28Å; K157-S159 VanDerWaalsContact C-N 3.3Å
158	H	47.9	Very low	53.3	Low	112 Å²	112	82 Å²	82	52%	0.519	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-82.9	-6.1	-179.4	51.3	-87.4	0	0	0	113.1	L156 I160 L161	L156-H158 PolarHBondContact O-N 3.41Å; H158-I160 PolarHBondContact O-N 3.1Å; H158-I160 VanDerWaalsContact O-N 3.15Å; H158-L161 PolarHBondContact O-N 3.49Å
159	S	47.8	Very low	54.4	Low	14 Å²	14	81.5 Å²	81.5	10%	0.098	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-66	-15.2	-175.6	-174.8	0	0	0	0	115.4	G146 R148 L156 K157 L161	G146-S159 PolarHBondContact O-OG 2.87Å; R148-S159 VanDerWaalsContact CB-OG 3.29Å; R148-S159 WeakPolarHBondContact CB-OG 3.48Å; R148-S159 VanDerWaalsContact CG-OG 3.24Å; R148-S159 WeakPolarHBondContact CG-OG 2.96Å; R148-S159 PolarHBondContact N-OG 2.94Å; L156-S159 WeakPolarHBondContact O-CB 3.27Å; L156-S159 PolarHBondContact O-N 3.06Å; K157-S159 VanDerWaalsContact C-N 3.3Å; S159-L161 VanDerWaalsContact C-N 3.34Å
160	I	44.7	Very low	54.9	Low	137 Å²	137	77 Å²	77	70%	0.703	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-72.2	-31.1	-179.4	-58.1	171.9	0	0	0	111.1	F155 H158	F155-I160 HydrophobicContact CZ-CD1 4.36Å; F155-I160 HydrophobicContact CZ-CG1 4.4Å; H158-I160 PolarHBondContact O-N 3.1Å; H158-I160 VanDerWaalsContact O-N 3.15Å
161	L	48.9	Very low	56	Low	114 Å²	114	76.5 Å²	76.5	60%	0.597	41%	0.413	S	S	*	.	S	Bend	trans	-98.1	3	-173.7	-68.4	164.8	0	0	0	113.2	H158 S159 F167	H158-L161 PolarHBondContact O-N 3.49Å; S159-L161 VanDerWaalsContact C-N 3.34Å; L161-F167 HydrophobicContact CB-CD2 4.25Å; L161-F167 HydrophobicContact CD2-CD2 4.12Å; L161-F167 HydrophobicContact CD2-CE2 3.86Å
162	G	52	Low	57.4	Low	38 Å²	38	72.7 Å²	72.7	39%	0.392	39%	0.385	S	S	.	.	S	Bend	trans	77.7	-154	-172.5	0	0	0	0	0	112.6
163	D	63.3	Low	58.5	Low	73 Å²	73	70.3 Å²	70.3	39%	0.39	38%	0.381	S	S	.	.			trans	-66	122.5	175.3	-175.8	-20.7	0	0	0	109.4	V165 I166 F167	D163-V165 PolarHBondContact O-N 3.13Å; D163-V165 WeakPolarHBondContact OD1-CB 3.39Å; D163-V165 PolarHBondContact OD1-N 3.46Å; D163-I166 HydrophobicContact CB-CB 4.2Å; D163-I166 HydrophobicContact CB-CD1 4.45Å; D163-I166 HydrophobicContact CB-CG1 4.11Å; D163-I166 PolarHBondContact O-N 2.75Å; D163-F167 PolarHBondContact O-N 2.91Å
164	P	63.8	Low	59.3	Low	45 Å²	45	76 Å²	76	29%	0.292	39%	0.387	S	S	.	.	H	α-helix	trans	-56.7	-35.3	179.2	23.7	-34.3	0	0	0	112.4	F167 Y168 I186	P164-F167 PolarHBondContact O-N 3.49Å; P164-Y168 WeakPolarHBondContact O-CD2 3.37Å; P164-Y168 PolarHBondContact O-N 3.39Å; P164-I186 HydrophobicContact CB-CD1 3.96Å
165	V	73.3	Confident	60	Low	24 Å²	24	74.8 Å²	74.8	15%	0.145	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-47.2	179.3	-175.8	0	0	0	0	110.2	D163 Y168 Q169 Q189 L190	D163-V165 PolarHBondContact O-N 3.13Å; D163-V165 WeakPolarHBondContact OD1-CB 3.39Å; D163-V165 PolarHBondContact OD1-N 3.46Å; V165-Y168 PolarHBondContact O-N 3.06Å; V165-Q169 WeakPolarHBondContact O-CB 3.5Å; V165-Q169 PolarHBondContact O-N 3.29Å; V165-Q189 HydrophobicContact CG2-CB 4.41Å; V165-L190 HydrophobicContact CG1-CD2 3.7Å; V165-L190 HydrophobicContact CG1-CG 4.31Å
166	I	65.7	Low	60.9	Low	87 Å²	87	75.5 Å²	75.5	45%	0.446	40%	0.399	S	S	.	.	H	α-helix	trans	-65.3	-40.8	177.5	-63.6	-167.1	0	0	0	111.1	D163 Q169 T170	D163-I166 HydrophobicContact CB-CB 4.2Å; D163-I166 HydrophobicContact CB-CD1 4.45Å; D163-I166 HydrophobicContact CB-CG1 4.11Å; D163-I166 PolarHBondContact O-N 2.75Å; I166-Q169 PolarHBondContact O-N 3.06Å; I166-T170 VanDerWaalsContact O-CB 3.31Å; I166-T170 WeakPolarHBondContact O-CB 3.32Å; I166-T170 PolarHBondContact O-N 3.5Å; I166-T170 PolarHBondContact O-OG1 3.09Å
167	F	70.3	Confident	61.7	Low	79 Å²	79	75.6 Å²	75.6	35%	0.346	40%	0.4	S	S	.	.	H	α-helix	trans	-58.3	-53.4	176.8	171.9	-95.9	0	0	0	111.5	L161 D163 P164 Q169 T170 A171	L161-F167 HydrophobicContact CB-CD2 4.25Å; L161-F167 HydrophobicContact CD2-CD2 4.12Å; L161-F167 HydrophobicContact CD2-CE2 3.86Å; D163-F167 PolarHBondContact O-N 2.91Å; P164-F167 PolarHBondContact O-N 3.49Å; F167-Q169 PolarHBondContact O-N 2.93Å; F167-T170 PolarHBondContact O-N 3.25Å; F167-A171 WeakPolarHBondContact O-CB 3.42Å; F167-A171 PolarHBondContact O-N 3.36Å
168	Y	72.8	Confident	63.3	Low	56 Å²	56	69.8 Å²	69.8	22%	0.22	38%	0.382	C	S	.	.	H	α-helix	trans	-67.2	-35.8	179.7	-76.3	-72.6	0	0	0	112.1	P164 V165 A171 L172 I177 V182 P183 I186	P164-Y168 WeakPolarHBondContact O-CD2 3.37Å; P164-Y168 PolarHBondContact O-N 3.39Å; V165-Y168 PolarHBondContact O-N 3.06Å; Y168-A171 PolarHBondContact O-N 3.17Å; Y168-L172 WeakPolarHBondContact O-CB 3.4Å; Y168-L172 WeakPolarHBondContact O-CD1 3.44Å; Y168-L172 VanDerWaalsContact O-CG 3.29Å; Y168-L172 WeakPolarHBondContact O-CG 3.3Å; Y168-L172 PolarHBondContact O-N 2.93Å; Y168-I177 HydrophobicContact CD1-CD1 3.52Å; Y168-I177 HydrophobicContact CE1-CD1 4.1Å; Y168-V182 HydrophobicContact CD1-CB 4.34Å; Y168-V182 HydrophobicContact CD1-CG1 4.02Å; Y168-V182 HydrophobicContact CD1-CG2 3.92Å; Y168-V182 HydrophobicContact CG-CG1 4.01Å; Y168-P183 HydrophobicContact CE2-CG 4.3Å; Y168-P183 VanDerWaalsContact CZ-CD 3.48Å; Y168-I186 HydrophobicContact CD2-CD1 3.49Å; Y168-I186 VanDerWaalsContact CD2-CD1 3.49Å; Y168-I186 HydrophobicContact CD2-CG2 3.99Å; Y168-I186 HydrophobicContact CE2-CD1 3.38Å; Y168-I186 HydrophobicContact CG-CG2 4.38Å
169	Q	72.7	Confident	64.8	Low	55 Å²	55	68.5 Å²	68.5	26%	0.257	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-44.6	173.1	-171.9	176.5	3.8	0	0	111.7	V165 I166 F167 T173 L190	V165-Q169 WeakPolarHBondContact O-CB 3.5Å; V165-Q169 PolarHBondContact O-N 3.29Å; I166-Q169 PolarHBondContact O-N 3.06Å; F167-Q169 PolarHBondContact O-N 2.93Å; Q169-T173 WeakPolarHBondContact O-CB 3.37Å; Q169-T173 VanDerWaalsContact O-CG2 3.31Å; Q169-T173 WeakPolarHBondContact O-CG2 3.12Å; Q169-T173 PolarHBondContact O-N 3.16Å; Q169-T173 PolarHBondContact O-OG1 3.49Å; Q169-L190 HydrophobicContact CB-CD2 3.8Å; Q169-L190 HydrophobicContact CG-CD2 4.29Å
170	T	63.7	Low	66.3	Low	33 Å²	33	74.6 Å²	74.6	20%	0.202	40%	0.404	C	S	.	.	H	α-helix	trans	-67.6	-41	178.5	-51.6	0	0	0	0	111	I166 F167 T173 R174	I166-T170 VanDerWaalsContact O-CB 3.31Å; I166-T170 WeakPolarHBondContact O-CB 3.32Å; I166-T170 PolarHBondContact O-N 3.5Å; I166-T170 PolarHBondContact O-OG1 3.09Å; F167-T170 PolarHBondContact O-N 3.25Å; T170-T173 VanDerWaalsContact CA-OG1 3.31Å; T170-T173 WeakPolarHBondContact CA-OG1 3.38Å; T170-T173 PolarHBondContact O-N 3.18Å; T170-T173 PolarHBondContact O-OG1 3.22Å; T170-R174 WeakPolarHBondContact O-CG 3.11Å; T170-R174 PolarHBondContact O-N 3.27Å
171	A	68.8	Low	67.9	Low	8 Å²	8	74.6 Å²	74.6	7%	0.066	40%	0.402	C	S	.	.	H	α-helix	trans	-67.7	-38.9	177.9	0	0	0	0	0	112.4	F167 Y168 G175 D176 I177	F167-A171 WeakPolarHBondContact O-CB 3.42Å; F167-A171 PolarHBondContact O-N 3.36Å; Y168-A171 PolarHBondContact O-N 3.17Å; A171-G175 PolarHBondContact O-N 3.38Å; A171-G175 VanDerWaalsContact O-N 3.14Å; A171-D176 PolarHBondContact O-N 3.29Å; A171-I177 HydrophobicContact CB-CD1 3.65Å; A171-I177 HydrophobicContact CB-CG1 3.77Å
172	L	73.5	Confident	69.4	Low	43 Å²	43	69.4 Å²	69.4	23%	0.225	38%	0.376	C	S	.	.	H	α-helix	trans	-65.4	-42.3	173.6	-79.8	165.3	0	0	0	112.3	Y168 R174 G175 I177 W179 V182 L190	Y168-L172 WeakPolarHBondContact O-CB 3.4Å; Y168-L172 WeakPolarHBondContact O-CD1 3.44Å; Y168-L172 VanDerWaalsContact O-CG 3.29Å; Y168-L172 WeakPolarHBondContact O-CG 3.3Å; Y168-L172 PolarHBondContact O-N 2.93Å; L172-R174 VanDerWaalsContact C-N 3.35Å; L172-G175 PolarHBondContact O-N 3.45Å; L172-I177 HydrophobicContact CD2-CG1 4.41Å; L172-I177 HydrophobicContact CG-CG1 4.37Å; L172-W179 HydrophobicContact CD1-CE3 3.55Å; L172-W179 HydrophobicContact CD1-CZ3 3.59Å; L172-W179 HydrophobicContact CD2-CB 4.45Å; L172-W179 HydrophobicContact CD2-CE3 4.04Å; L172-W179 HydrophobicContact CG-CE3 4.47Å; L172-V182 HydrophobicContact CD1-CG2 4.04Å; L172-V182 HydrophobicContact CD2-CG2 4.3Å; L172-V182 HydrophobicContact CG-CG2 4.24Å; L172-L190 HydrophobicContact CD1-CD1 3.82Å
173	T	66.5	Low	70.8	Confident	100 Å²	100	69.7 Å²	69.7	61%	0.613	37%	0.371	S	S	*	.	H	α-helix	trans	-69.8	-30.2	-179.9	46.5	0	0	0	0	112.9	Q169 T170	Q169-T173 WeakPolarHBondContact O-CB 3.37Å; Q169-T173 VanDerWaalsContact O-CG2 3.31Å; Q169-T173 WeakPolarHBondContact O-CG2 3.12Å; Q169-T173 PolarHBondContact O-N 3.16Å; Q169-T173 PolarHBondContact O-OG1 3.49Å; T170-T173 VanDerWaalsContact CA-OG1 3.31Å; T170-T173 WeakPolarHBondContact CA-OG1 3.38Å; T170-T173 PolarHBondContact O-N 3.18Å; T170-T173 PolarHBondContact O-OG1 3.22Å
174	R	60.3	Low	71.4	Confident	170 Å²	170	75.8 Å²	75.8	64%	0.642	39%	0.388	S	S	*	.	H	α-helix	trans	-77	-19.8	171.2	-71.6	176.7	-179.1	172.1	0.6	113.9	T170 L172	T170-R174 WeakPolarHBondContact O-CG 3.11Å; T170-R174 PolarHBondContact O-N 3.27Å; L172-R174 VanDerWaalsContact C-N 3.35Å
175	G	64.3	Low	72	Confident	59 Å²	59	80.1 Å²	80.1	61%	0.608	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	15.2	-174.8	0	0	0	0	0	114.4	A171 L172 I177	A171-G175 PolarHBondContact O-N 3.38Å; A171-G175 VanDerWaalsContact O-N 3.14Å; L172-G175 PolarHBondContact O-N 3.45Å; G175-I177 VanDerWaalsContact C-N 3.29Å; G175-I177 PolarHBondContact O-N 2.68Å
176	D	62.7	Low	72.1	Confident	115 Å²	115	80 Å²	80	62%	0.615	40%	0.402	S	S	*	.	S	Bend	trans	-69.5	-28.1	-178.8	-65.7	-29.2	0	0	0	112.3	A171	A171-D176 PolarHBondContact O-N 3.29Å
177	I	68.1	Low	72.9	Confident	45 Å²	45	77.4 Å²	77.4	23%	0.231	39%	0.389	C	S	.	.	S	Bend	trans	-135.3	152.3	-179.4	62.1	175	0	0	0	111	Y168 A171 L172 G175 V182	Y168-I177 HydrophobicContact CD1-CD1 3.52Å; Y168-I177 HydrophobicContact CE1-CD1 4.1Å; A171-I177 HydrophobicContact CB-CD1 3.65Å; A171-I177 HydrophobicContact CB-CG1 3.77Å; L172-I177 HydrophobicContact CD2-CG1 4.41Å; L172-I177 HydrophobicContact CG-CG1 4.37Å; G175-I177 VanDerWaalsContact C-N 3.29Å; G175-I177 PolarHBondContact O-N 2.68Å; I177-V182 HydrophobicContact CD1-CG2 4.02Å
178	S	78.9	Confident	73.3	Confident	58 Å²	58	79.1 Å²	79.1	41%	0.406	40%	0.401	S	S	.	.			trans	-87.2	153.8	171.5	65.3	0	0	0	0	111.6	N180 M181	S178-N180 PolarHBondContact O-N 2.82Å; S178-M181 PolarHBondContact O-N 2.85Å
179	W	78.2	Confident	73.4	Confident	86 Å²	86	81.6 Å²	81.6	33%	0.326	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-49.8	-34.8	178.3	-174.9	-108.3	0	0	0	113	L172 M181 V182 Q187 L190 M194	L172-W179 HydrophobicContact CD1-CE3 3.55Å; L172-W179 HydrophobicContact CD1-CZ3 3.59Å; L172-W179 HydrophobicContact CD2-CB 4.45Å; L172-W179 HydrophobicContact CD2-CE3 4.04Å; L172-W179 HydrophobicContact CG-CE3 4.47Å; W179-M181 PolarHBondContact O-N 3.02Å; W179-V182 WeakPolarHBondContact O-CB 3.45Å; W179-V182 PolarHBondContact O-N 3.25Å; W179-Q187 HydrophobicContact CD2-CG 4.46Å; W179-Q187 HydrophobicContact CH2-CB 4.34Å; W179-Q187 HydrophobicContact CH2-CG 4.27Å; W179-Q187 HydrophobicContact CZ2-CB 3.83Å; W179-Q187 HydrophobicContact CZ2-CG 3.73Å; W179-Q187 PolarHBondContact O-NE2 2.63Å; W179-L190 HydrophobicContact CH2-CB 3.69Å; W179-L190 HydrophobicContact CH2-CD1 4.45Å; W179-L190 HydrophobicContact CZ3-CB 3.97Å; W179-L190 HydrophobicContact CZ3-CD1 4.07Å; W179-M194 HydrophobicContact CE3-SD 4.46Å; W179-M194 HydrophobicContact CH2-SD 4.17Å; W179-M194 HydrophobicContact CZ3-SD 3.77Å
180	N	79.7	Confident	73.6	Confident	141 Å²	141	79 Å²	79	75%	0.754	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-67.1	-21.9	-177.5	-46.4	-13.2	0	0	0	113.1	S178	S178-N180 PolarHBondContact O-N 2.82Å
181	M	78.4	Confident	74.1	Confident	137 Å²	137	82.9 Å²	82.9	68%	0.675	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-87.1	-9.1	178.6	-62.6	-165.5	96.6	0	0	113	S178 W179	S178-M181 PolarHBondContact O-N 2.85Å; W179-M181 PolarHBondContact O-N 3.02Å
182	V	80.2	Confident	74	Confident	6 Å²	6	86.9 Å²	86.9	4%	0.036	44%	0.442	C	S	.	.	S	Bend	trans	-79.3	130.4	178.6	-175.4	0	0	0	0	109.8	Y168 L172 I177 W179 I186 Q187 L190	Y168-V182 HydrophobicContact CD1-CB 4.34Å; Y168-V182 HydrophobicContact CD1-CG1 4.02Å; Y168-V182 HydrophobicContact CD1-CG2 3.92Å; Y168-V182 HydrophobicContact CG-CG1 4.01Å; L172-V182 HydrophobicContact CD1-CG2 4.04Å; L172-V182 HydrophobicContact CD2-CG2 4.3Å; L172-V182 HydrophobicContact CG-CG2 4.24Å; I177-V182 HydrophobicContact CD1-CG2 4.02Å; W179-V182 WeakPolarHBondContact O-CB 3.45Å; W179-V182 PolarHBondContact O-N 3.25Å; V182-I186 HydrophobicContact CG1-CB 4.02Å; V182-I186 HydrophobicContact CG1-CG2 3.93Å; V182-Q187 HydrophobicContact CB-CG 3.91Å; V182-Q187 HydrophobicContact CG1-CG 3.96Å; V182-L190 HydrophobicContact CG1-CD1 4.1Å
183	P	81.5	Confident	73.4	Confident	44 Å²	44	86.9 Å²	86.9	29%	0.286	44%	0.444	S	S	.	.			trans	-54.2	143	175.3	-26.3	34.6	0	0	0	112.7	Y168 E185 I186 Q187	Y168-P183 HydrophobicContact CE2-CG 4.3Å; Y168-P183 VanDerWaalsContact CZ-CD 3.48Å; P183-E185 VanDerWaalsContact C-N 3.26Å; P183-E185 PolarHBondContact O-N 2.89Å; P183-I186 HydrophobicContact CB-CD1 4.3Å; P183-I186 HydrophobicContact CB-CG1 4.49Å; P183-I186 HydrophobicContact CG-CD1 4.18Å; P183-I186 PolarHBondContact O-N 3.42Å; P183-Q187 PolarHBondContact O-N 3.45Å
184	R	77	Confident	73.1	Confident	200 Å²	200	86.4 Å²	86.4	76%	0.755	44%	0.436	S	S	*	.	H	α-helix	trans	-61.2	-33.6	-172.6	-110.9	168.8	-168.7	-105.6	-3.7	113.5	I186 Q187 L188	R184-I186 VanDerWaalsContact C-N 3.26Å; R184-I186 PolarHBondContact O-N 3.08Å; R184-Q187 PolarHBondContact O-N 2.81Å; R184-L188 PolarHBondContact O-N 2.83Å
185	E	75.4	Confident	72.9	Confident	137 Å²	137	82.3 Å²	82.3	64%	0.64	43%	0.429	S	S	*	.	H	α-helix	trans	-64.5	-36.2	178.3	-55.3	74.5	-156.7	0	0	111	P183	P183-E185 VanDerWaalsContact C-N 3.26Å; P183-E185 PolarHBondContact O-N 2.89Å
186	I	76.3	Confident	72.4	Confident	20 Å²	20	85.3 Å²	85.3	10%	0.103	43%	0.428	C	S	.	.	H	α-helix	trans	-83.5	-35.2	-179.3	-59.4	174.1	0	0	0	110.5	P164 Y168 V182 P183 R184 L188 Q189 L190	P164-I186 HydrophobicContact CB-CD1 3.96Å; Y168-I186 HydrophobicContact CD2-CD1 3.49Å; Y168-I186 VanDerWaalsContact CD2-CD1 3.49Å; Y168-I186 HydrophobicContact CD2-CG2 3.99Å; Y168-I186 HydrophobicContact CE2-CD1 3.38Å; Y168-I186 HydrophobicContact CG-CG2 4.38Å; V182-I186 HydrophobicContact CG1-CB 4.02Å; V182-I186 HydrophobicContact CG1-CG2 3.93Å; P183-I186 HydrophobicContact CB-CD1 4.3Å; P183-I186 HydrophobicContact CB-CG1 4.49Å; P183-I186 HydrophobicContact CG-CD1 4.18Å; P183-I186 PolarHBondContact O-N 3.42Å; R184-I186 VanDerWaalsContact C-N 3.26Å; R184-I186 PolarHBondContact O-N 3.08Å; I186-L188 VanDerWaalsContact C-N 3.26Å; I186-L188 PolarHBondContact O-N 2.79Å; I186-Q189 PolarHBondContact O-N 2.95Å; I186-Q189 VanDerWaalsContact O-N 3.1Å; I186-L190 HydrophobicContact CG2-CD1 3.9Å; I186-L190 HydrophobicContact CG2-CG 4.08Å; I186-L190 WeakPolarHBondContact O-CB 3.46Å; I186-L190 WeakPolarHBondContact O-CG 3.4Å; I186-L190 PolarHBondContact O-N 3.35Å
187	Q	80.7	Confident	71.4	Confident	34 Å²	34	83.4 Å²	83.4	16%	0.159	42%	0.416	C	S	.	.	H	α-helix	trans	-54.1	-42.1	173.1	-79.9	-175.7	-17	0	0	111.9	W179 V182 P183 R184 Q189 L190 Q191	W179-Q187 HydrophobicContact CD2-CG 4.46Å; W179-Q187 HydrophobicContact CH2-CB 4.34Å; W179-Q187 HydrophobicContact CH2-CG 4.27Å; W179-Q187 HydrophobicContact CZ2-CB 3.83Å; W179-Q187 HydrophobicContact CZ2-CG 3.73Å; W179-Q187 PolarHBondContact O-NE2 2.63Å; V182-Q187 HydrophobicContact CB-CG 3.91Å; V182-Q187 HydrophobicContact CG1-CG 3.96Å; P183-Q187 PolarHBondContact O-N 3.45Å; R184-Q187 PolarHBondContact O-N 2.81Å; Q187-Q189 VanDerWaalsContact C-N 3.35Å; Q187-Q189 PolarHBondContact O-N 2.68Å; Q187-L190 PolarHBondContact O-N 3.47Å; Q187-Q191 VanDerWaalsContact O-CB 3.25Å; Q187-Q191 WeakPolarHBondContact O-CB 3.27Å; Q187-Q191 PolarHBondContact O-N 2.83Å
188	L	78.8	Confident	70.4	Confident	114 Å²	114	88.4 Å²	88.4	60%	0.597	44%	0.438	S	S	*	.	H	α-helix	trans	-63.7	-38.6	177.8	-75.6	167.9	0	0	0	112.7	R184 I186 T192	R184-L188 PolarHBondContact O-N 2.83Å; I186-L188 VanDerWaalsContact C-N 3.26Å; I186-L188 PolarHBondContact O-N 2.79Å; L188-T192 PolarHBondContact O-N 3.17Å; L188-T192 PolarHBondContact O-OG1 2.96Å; L188-T192 VanDerWaalsContact O-OG1 3.11Å
189	Q	76.8	Confident	68.9	Low	108 Å²	108	92.1 Å²	92.1	51%	0.505	45%	0.454	S	S	.	.	H	α-helix	trans	-69.7	-41.7	176.1	-69.5	176.6	-27.1	0	0	111.3	V165 I186 Q187 T192 T193	V165-Q189 HydrophobicContact CG2-CB 4.41Å; I186-Q189 PolarHBondContact O-N 2.95Å; I186-Q189 VanDerWaalsContact O-N 3.1Å; Q187-Q189 VanDerWaalsContact C-N 3.35Å; Q187-Q189 PolarHBondContact O-N 2.68Å; Q189-T192 PolarHBondContact O-N 3.39Å; Q189-T193 PolarHBondContact O-N 3.16Å; Q189-T193 PolarHBondContact O-OG1 2.94Å
190	L	75	Confident	66.9	Low	2 Å²	2	93.5 Å²	93.5	1%	0.01	47%	0.467	C	S	.	.	H	α-helix	trans	-68.4	-33.1	175.4	-71.7	176.4	0	0	0	112.5	V165 Q169 L172 W179 V182 I186 Q187 T192 T193 M194	V165-L190 HydrophobicContact CG1-CD2 3.7Å; V165-L190 HydrophobicContact CG1-CG 4.31Å; Q169-L190 HydrophobicContact CB-CD2 3.8Å; Q169-L190 HydrophobicContact CG-CD2 4.29Å; L172-L190 HydrophobicContact CD1-CD1 3.82Å; W179-L190 HydrophobicContact CH2-CB 3.69Å; W179-L190 HydrophobicContact CH2-CD1 4.45Å; W179-L190 HydrophobicContact CZ3-CB 3.97Å; W179-L190 HydrophobicContact CZ3-CD1 4.07Å; V182-L190 HydrophobicContact CG1-CD1 4.1Å; I186-L190 HydrophobicContact CG2-CD1 3.9Å; I186-L190 HydrophobicContact CG2-CG 4.08Å; I186-L190 WeakPolarHBondContact O-CB 3.46Å; I186-L190 WeakPolarHBondContact O-CG 3.4Å; I186-L190 PolarHBondContact O-N 3.35Å; Q187-L190 PolarHBondContact O-N 3.47Å; L190-T192 VanDerWaalsContact C-N 3.29Å; L190-T192 PolarHBondContact O-N 3.21Å; L190-T193 WeakPolarHBondContact CA-OG1 3.16Å; L190-T193 PolarHBondContact O-N 2.84Å; L190-T193 PolarHBondContact O-OG1 3.34Å; L190-M194 VanDerWaalsContact O-CB 3.28Å; L190-M194 WeakPolarHBondContact O-CB 3.47Å; L190-M194 VanDerWaalsContact O-CG 3.26Å; L190-M194 WeakPolarHBondContact O-CG 3.33Å; L190-M194 PolarHBondContact O-N 2.86Å
191	Q	74.4	Confident	64.9	Low	113 Å²	113	94.7 Å²	94.7	53%	0.528	47%	0.473	S	S	.	.	H	α-helix	trans	-64.9	-37.9	179	-162.9	169.4	23.5	0	0	111.1	Q187 V195	Q187-Q191 VanDerWaalsContact O-CB 3.25Å; Q187-Q191 WeakPolarHBondContact O-CB 3.27Å; Q187-Q191 PolarHBondContact O-N 2.83Å; Q191-V195 VanDerWaalsContact O-CG2 3.26Å; Q191-V195 WeakPolarHBondContact O-CG2 3.38Å; Q191-V195 PolarHBondContact O-N 2.69Å; Q191-V195 VanDerWaalsContact O-N 3.16Å
192	T	66.5	Low	62.6	Low	92 Å²	92	94 Å²	94	56%	0.564	47%	0.471	S	S	*	.	H	α-helix	trans	-62	-46.7	173.3	-44.8	0	0	0	0	111.4	L188 Q189 L190 E196	L188-T192 PolarHBondContact O-N 3.17Å; L188-T192 PolarHBondContact O-OG1 2.96Å; L188-T192 VanDerWaalsContact O-OG1 3.11Å; Q189-T192 PolarHBondContact O-N 3.39Å; L190-T192 VanDerWaalsContact C-N 3.29Å; L190-T192 PolarHBondContact O-N 3.21Å; T192-E196 PolarHBondContact O-N 2.81Å
193	T	61.7	Low	60.2	Low	43 Å²	43	99.5 Å²	99.5	26%	0.264	51%	0.507	S	S	.	.	H	α-helix	trans	-74.2	-31.6	-179.1	52.5	0	0	0	0	113.3	Q189 L190 E196 M197	Q189-T193 PolarHBondContact O-N 3.16Å; Q189-T193 PolarHBondContact O-OG1 2.94Å; L190-T193 WeakPolarHBondContact CA-OG1 3.16Å; L190-T193 PolarHBondContact O-N 2.84Å; L190-T193 PolarHBondContact O-OG1 3.34Å; T193-E196 WeakPolarHBondContact O-CB 3.37Å; T193-E196 PolarHBondContact O-N 3.08Å; T193-M197 VanDerWaalsContact O-CG 3.23Å; T193-M197 WeakPolarHBondContact O-CG 3.23Å; T193-M197 PolarHBondContact O-N 3.44Å
194	M	59.4	Low	57.9	Low	90 Å²	90	101 Å²	101	44%	0.443	52%	0.515	S	S	.	.	H	α-helix	trans	-70.9	-33.5	176.5	-76.1	-163.5	76.5	0	0	112.6	W179 L190 E196 M197 Q198	W179-M194 HydrophobicContact CE3-SD 4.46Å; W179-M194 HydrophobicContact CH2-SD 4.17Å; W179-M194 HydrophobicContact CZ3-SD 3.77Å; L190-M194 VanDerWaalsContact O-CB 3.28Å; L190-M194 WeakPolarHBondContact O-CB 3.47Å; L190-M194 VanDerWaalsContact O-CG 3.26Å; L190-M194 WeakPolarHBondContact O-CG 3.33Å; L190-M194 PolarHBondContact O-N 2.86Å; M194-E196 VanDerWaalsContact C-N 3.29Å; M194-M197 PolarHBondContact O-N 2.87Å; M194-Q198 PolarHBondContact O-N 3.27Å
195	V	57.2	Low	55.6	Low	85 Å²	85	96 Å²	96	52%	0.515	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-37.3	172.3	170.5	0	0	0	0	110.6	Q191 N199	Q191-V195 VanDerWaalsContact O-CG2 3.26Å; Q191-V195 WeakPolarHBondContact O-CG2 3.38Å; Q191-V195 PolarHBondContact O-N 2.69Å; Q191-V195 VanDerWaalsContact O-N 3.16Å; V195-N199 PolarHBondContact O-ND2 2.85Å
196	E	52.8	Low	53.2	Low	122 Å²	122	94.5 Å²	94.5	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-66.9	-39.9	172.7	-69.3	177.5	163.5	0	0	112	T192 T193 M194 N199	T192-E196 PolarHBondContact O-N 2.81Å; T193-E196 WeakPolarHBondContact O-CB 3.37Å; T193-E196 PolarHBondContact O-N 3.08Å; M194-E196 VanDerWaalsContact C-N 3.29Å; E196-N199 PolarHBondContact O-N 3.45Å
197	M	42.5	Very low	50.9	Low	74 Å²	74	99.1 Å²	99.1	37%	0.365	55%	0.547	S	S	.	.	H	α-helix	trans	-68.3	-35.7	178.5	-70.2	-86.8	-64	0	0	113.3	T193 M194 N199 L200 V204	T193-M197 VanDerWaalsContact O-CG 3.23Å; T193-M197 WeakPolarHBondContact O-CG 3.23Å; T193-M197 PolarHBondContact O-N 3.44Å; M194-M197 PolarHBondContact O-N 2.87Å; M197-N199 PolarHBondContact O-N 2.97Å; M197-L200 CarbonylContact O-C 3.56Å; M197-L200 PolarHBondContact O-N 2.84Å; M197-V204 HydrophobicContact CE-CB 4.38Å; M197-V204 HydrophobicContact CE-CG2 3.69Å; M197-V204 HydrophobicContact SD-CG2 4.03Å
198	Q	46.7	Very low	48.2	Very low	151 Å²	151	102.5 Å²	102.5	71%	0.706	57%	0.573	S	S	*	*	H	α-helix	trans	-64.4	-23.8	175.3	-80.3	-173.3	-13.2	0	0	112.9	M194 L200	M194-Q198 PolarHBondContact O-N 3.27Å; Q198-L200 VanDerWaalsContact C-N 3.32Å
199	N	47.6	Very low	45.8	Very low	136 Å²	136	104 Å²	104	73%	0.727	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-10.8	174.5	-68.7	-29.8	0	0	0	113	V195 E196 M197	V195-N199 PolarHBondContact O-ND2 2.85Å; E196-N199 PolarHBondContact O-N 3.45Å; M197-N199 PolarHBondContact O-N 2.97Å
200	L	35.6	Very low	43.3	Very low	115 Å²	115	104.2 Å²	104.2	60%	0.602	59%	0.591	S	S	*	*			trans	-111.4	92.5	176.7	-77.5	153.2	0	0	0	108	M197 Q198 L202	M197-L200 CarbonylContact O-C 3.56Å; M197-L200 PolarHBondContact O-N 2.84Å; Q198-L200 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 3.01Å
201	N	37.8	Very low	41	Very low	166 Å²	166	112.1 Å²	112.1	89%	0.888	63%	0.628	S	S	*	*			trans	-67.2	55.5	168.4	-82.4	-34.9	0	0	0	111.2
202	L	30.9	Very low	38.8	Very low	121 Å²	121	115.7 Å²	115.7	63%	0.634	65%	0.645	S	S	*	*			trans	-116.5	120.6	176.3	-154.9	76.4	0	0	0	107.6	L200 V204	L200-L202 PolarHBondContact O-N 3.01Å; L202-V204 PolarHBondContact O-N 3.46Å
203	P	30.3	Very low	37	Very low	122 Å²	122	117.1 Å²	117.1	79%	0.792	65%	0.653	S	S	*	*			trans	-65	102.6	166.8	25.2	-27.2	0	0	0	107.1	A205	P203-A205 VanDerWaalsContact C-N 3.27Å; P203-A205 PolarHBondContact O-N 3.1Å
204	V	33	Very low	35.5	Very low	75 Å²	75	120.2 Å²	120.2	46%	0.455	68%	0.677	S	S	.	*			trans	-72.3	88.9	177.7	-174.3	0	0	0	0	107.7	M197 L202 L206	M197-V204 HydrophobicContact CE-CB 4.38Å; M197-V204 HydrophobicContact CE-CG2 3.69Å; M197-V204 HydrophobicContact SD-CG2 4.03Å; L202-V204 PolarHBondContact O-N 3.46Å; V204-L206 HydrophobicContact CG1-CD2 4.02Å; V204-L206 HydrophobicContact CG1-CG 3.79Å; V204-L206 PolarHBondContact O-N 3.46Å
205	A	27.7	Very low	34	Very low	97 Å²	97	122.4 Å²	122.4	80%	0.802	70%	0.698	S	S	*	*			trans	-68.7	83.1	158.4	0	0	0	0	0	107.1	P203 S207	P203-A205 VanDerWaalsContact C-N 3.27Å; P203-A205 PolarHBondContact O-N 3.1Å; A205-S207 PolarHBondContact O-N 2.94Å
206	L	26.3	Very low	32.4	Very low	105 Å²	105	121.9 Å²	121.9	55%	0.55	71%	0.709	S	S	.	*			trans	-59.1	127.1	162.6	-77.6	175.1	0	0	0	106.5	V204 C208	V204-L206 HydrophobicContact CG1-CD2 4.02Å; V204-L206 HydrophobicContact CG1-CG 3.79Å; V204-L206 PolarHBondContact O-N 3.46Å; L206-C208 VanDerWaalsContact C-N 3.33Å; L206-C208 PolarHBondContact O-N 3.29Å
207	S	27	Very low	31.2	Very low	117 Å²	117	121.4 Å²	121.4	82%	0.818	72%	0.719	S	S	*	*			trans	-47	97.6	179.1	59.9	0	0	0	0	109.3	A205 I209	A205-S207 PolarHBondContact O-N 2.94Å; S207-I209 PolarHBondContact O-N 3.37Å
208	C	25.2	Very low	30.4	Very low	105 Å²	105	127.2 Å²	127.2	71%	0.709	75%	0.746	S	S	*	*			trans	-55.7	134.2	168.4	-70.4	0	0	0	0	105.8	L206 P210	L206-C208 VanDerWaalsContact C-N 3.33Å; L206-C208 PolarHBondContact O-N 3.29Å; C208-P210 VanDerWaalsContact O-N 3.11Å
209	I	27.2	Very low	29.5	Very low	145 Å²	145	125.9 Å²	125.9	74%	0.744	75%	0.75	S	S	*	*			trans	-37.4	124.3	153.8	-64	165.7	0	0	0	105.5	S207 E211	S207-I209 PolarHBondContact O-N 3.37Å; I209-E211 PolarHBondContact O-N 3Å
210	P	24.9	Very low	28.4	Very low	112 Å²	112	124.5 Å²	124.5	73%	0.727	75%	0.751	S	S	*	*			trans	-63.8	91	-174.8	23.3	-31.5	0	0	0	108.4	C208 Q212	C208-P210 VanDerWaalsContact O-N 3.11Å; P210-Q212 VanDerWaalsContact C-N 3.3Å; P210-Q212 PolarHBondContact O-N 3.35Å
211	E	27	Very low	28.1	Very low	168 Å²	168	126.7 Å²	126.7	79%	0.785	76%	0.763	S	S	*	*			trans	-59.6	106.1	152	-79.4	-173	157.7	0	0	104	I209 T213	I209-E211 PolarHBondContact O-N 3Å; E211-T213 PolarHBondContact O-N 3.07Å
212	Q	27.3	Very low	27.4	Very low	189 Å²	189	122.7 Å²	122.7	88%	0.883	76%	0.761	S	S	*	*			trans	-62.1	84.7	169.9	-63.9	-156.4	-66	0	0	107.2	P210 S214	P210-Q212 VanDerWaalsContact C-N 3.3Å; P210-Q212 PolarHBondContact O-N 3.35Å; Q212-S214 PolarHBondContact O-N 3.49Å
213	T	29.5	Very low	27.2	Very low	121 Å²	121	121.7 Å²	121.7	74%	0.742	76%	0.764	S	S	*	*			trans	-66.8	128.3	169.8	45.7	0	0	0	0	106.8	E211	E211-T213 PolarHBondContact O-N 3.07Å
214	S	29.1	Very low	26.9	Very low	108 Å²	108	124.1 Å²	124.1	76%	0.755	77%	0.765	S	S	*	*			trans	-60.3	144.5	174.9	-62	0	0	0	0	109.7	Q212 G216	Q212-S214 PolarHBondContact O-N 3.49Å; S214-G216 PolarHBondContact O-N 2.92Å
215	P	28.1	Very low	26.5	Very low	137 Å²	137	127.7 Å²	127.7	89%	0.89	78%	0.78	S	S	*	*	S	Bend	trans	-71.7	115.3	-174.9	27.7	-31.6	0	0	0	110.2
216	G	24.8	Very low	26.2	Very low	73 Å²	73	128.4 Å²	128.4	75%	0.753	78%	0.775	S	S	*	*			trans	154.2	65.1	169.7	0	0	0	0	0	116.3	S214	S214-G216 PolarHBondContact O-N 2.92Å
217	S	27.2	Very low	26.1	Very low	112 Å²	112	129.4 Å²	129.4	78%	0.783	79%	0.785	S	S	*	*			trans	-166.9	102.7	150	55.6	0	0	0	0	109.6	P219	S217-P219 WeakPolarHBondContact O-CD 3.21Å
218	H	24.8	Very low	25.9	Very low	197 Å²	197	130.8 Å²	130.8	91%	0.912	78%	0.783	S	S	*	*			trans	-76.4	127.8	167.8	-67.3	-79.1	0	0	0	109.6
219	P	28.9	Very low	25.8	Very low	122 Å²	122	134.7 Å²	134.7	79%	0.792	79%	0.791	S	S	*	*			trans	-99.4	116	156.2	10.7	9.5	0	0	0	108.5	S217 N221	S217-P219 WeakPolarHBondContact O-CD 3.21Å; P219-N221 PolarHBondContact O-N 3.48Å
220	S	23.2	Very low	25.7	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	79%	0.791	S	S	*	*			trans	-67.8	126.2	162.5	64.4	0	0	0	0	108.6
221	N	30.1	Very low	25.6	Very low	161 Å²	161	134 Å²	134	86%	0.861	80%	0.796	S	S	*	*			trans	-157.3	107.2	149.7	-94.6	-22.1	0	0	0	108.7	P219	P219-N221 PolarHBondContact O-N 3.48Å
222	G	22.1	Very low	25.4	Very low	83 Å²	83	133.9 Å²	133.9	86%	0.856	80%	0.799	S	S	*	*			trans	-83.7	128.6	165.7	0	0	0	0	0	109.7
223	S	28.4	Very low	25.3	Very low	99 Å²	99	128.9 Å²	128.9	69%	0.692	79%	0.785	S	S	*	*			trans	-150.6	111.3	156.6	57.4	0	0	0	0	109.1	L225	S223-L225 PolarHBondContact O-N 2.91Å
224	H	22.4	Very low	25	Very low	174 Å²	174	130.5 Å²	130.5	81%	0.806	79%	0.789	S	S	*	*			trans	-64.4	114.7	173.7	-156.4	-94.8	0	0	0	108.9
225	L	24.6	Very low	24.8	Very low	149 Å²	149	136.2 Å²	136.2	78%	0.78	80%	0.796	S	S	*	*			trans	-125.5	97.6	172	-83.5	165.3	0	0	0	109.5	S223	S223-L225 PolarHBondContact O-N 2.91Å
226	T	21.4	Very low	24.8	Very low	112 Å²	112	135.1 Å²	135.1	69%	0.687	79%	0.788	S	S	*	*			trans	-65.9	116.8	164	36.9	0	0	0	0	109.6
227	V	24.6	Very low	24.7	Very low	127 Å²	127	137.2 Å²	137.2	77%	0.77	79%	0.792	S	S	*	*			trans	-110.3	115.4	172.6	179.8	0	0	0	0	108.6
228	N	23	Very low	24.7	Very low	145 Å²	145	138.9 Å²	138.9	78%	0.775	79%	0.792	S	S	*	*			trans	-75.9	137	177	-75.3	-26.1	0	0	0	110.8	S230	N228-S230 PolarHBondContact O-N 2.86Å
229	H	23.1	Very low	24.9	Very low	187 Å²	187	137.4 Å²	137.4	87%	0.866	79%	0.786	S	S	*	*			trans	-64.3	119	173.4	-62.9	-82.9	0	0	0	111.2
230	S	25.5	Very low	24.7	Very low	108 Å²	108	141.7 Å²	141.7	76%	0.755	79%	0.792	S	S	*	*			trans	-110.1	103.3	163.2	51.1	0	0	0	0	109.5	N228 I232	N228-S230 PolarHBondContact O-N 2.86Å; S230-I232 PolarHBondContact O-N 3.43Å
231	T	22.4	Very low	24.9	Very low	134 Å²	134	141.6 Å²	141.6	82%	0.822	79%	0.791	S	S	*	*			trans	-54.1	112.4	171.1	-41.2	0	0	0	0	110.5	S233	T231-S233 PolarHBondContact O-N 3.47Å
232	I	23.6	Very low	24.8	Very low	167 Å²	167	141.1 Å²	141.1	86%	0.856	79%	0.788	S	S	*	*			trans	-78.8	109.2	170.7	-67	173.9	0	0	0	107.8	S230	S230-I232 PolarHBondContact O-N 3.43Å
233	S	23.8	Very low	25	Very low	83 Å²	83	147.3 Å²	147.3	58%	0.58	79%	0.792	S	S	*	*			trans	-82	133.8	176.2	68.9	0	0	0	0	111.9	T231	T231-S233 PolarHBondContact O-N 3.47Å
234	N	24.4	Very low	25.1	Very low	156 Å²	156	151.6 Å²	151.6	83%	0.834	80%	0.798	S	S	*	*			trans	33	108	137.2	-60.4	-17.4	0	0	0	118.5
235	Y	24.3	Very low	25.3	Very low	228 Å²	228	150.8 Å²	150.8	89%	0.894	80%	0.798	S	S	*	*			trans	-102.6	144.8	143.1	-80	-80.9	0	0	0	110.5
236	P	27.9	Very low	25.5	Very low	113 Å²	113	153.8 Å²	153.8	73%	0.734	81%	0.806	S	S	*	*			trans	-90.2	143.5	-161.8	9.1	10.3	0	0	0	112.7
237	S	22.7	Very low	25.9	Very low	118 Å²	118	154.6 Å²	154.6	83%	0.825	81%	0.806	S	S	*	*			trans	-33.9	129.4	159	43.8	0	0	0	0	115.1
238	N	26.8	Very low	26.2	Very low	146 Å²	146	153.4 Å²	153.4	78%	0.781	80%	0.803	S	S	*	*			trans	-142.7	143.4	149.9	-147.5	8.4	0	0	0	111.7
239	E	29.4	Very low	26.6	Very low	167 Å²	167	154.8 Å²	154.8	78%	0.78	81%	0.805	S	S	*	*			trans	82.3	94.1	164.4	-56.2	-167.9	168.5	0	0	120
240	K	24.3	Very low	27.1	Very low	212 Å²	212	151.9 Å²	151.9	92%	0.922	80%	0.801	S	S	*	*			trans	-61.6	121	155.3	-64	165.6	176.5	172.7	0	110.2
241	S	28.2	Very low	27.5	Very low	104 Å²	104	152.9 Å²	152.9	73%	0.727	80%	0.797	S	S	*	*			trans	-158.1	129.9	141.7	60.2	0	0	0	0	113
242	N	28.4	Very low	28.2	Very low	151 Å²	151	152 Å²	152	81%	0.807	79%	0.788	S	S	*	*			trans	67	81.1	152.7	-58.2	-26.5	0	0	0	119.7	K244	N242-K244 PolarHBondContact O-N 2.94Å
243	K	26.1	Very low	29	Very low	214 Å²	214	151.2 Å²	151.2	93%	0.93	78%	0.784	S	S	*	*			trans	-53.3	100.1	151.5	-71.4	174.4	175	177.8	0	110.8
244	K	30	Very low	30	Very low	189 Å²	189	155.6 Å²	155.6	82%	0.822	80%	0.795	S	S	*	*			trans	-137.6	105.2	156.9	-80.6	-170.7	178.3	179.7	0	109.8	N242 F246	N242-K244 PolarHBondContact O-N 2.94Å; K244-F246 PolarHBondContact O-N 3.26Å
245	L	27.6	Very low	31.2	Very low	156 Å²	156	151.5 Å²	151.5	82%	0.817	78%	0.779	S	S	*	*			trans	47.1	69.2	142.4	-129.1	79.3	0	0	0	116.6
246	F	27.7	Very low	32.6	Very low	213 Å²	213	145.4 Å²	145.4	93%	0.934	76%	0.762	S	S	*	*			trans	-94.5	95.3	158.8	-110.2	-90.9	0	0	0	108	K244	K244-F246 PolarHBondContact O-N 3.26Å
247	N	29.9	Very low	34.1	Very low	128 Å²	128	142.1 Å²	142.1	68%	0.684	75%	0.748	S	S	*	*			trans	-68.9	139.1	170.1	-85.4	-15.2	0	0	0	109.6	E249	N247-E249 PolarHBondContact O-N 2.87Å
248	S	30.6	Very low	36.1	Very low	102 Å²	102	142.3 Å²	142.3	71%	0.713	74%	0.74	S	S	*	*			trans	-57.8	90.2	179.7	173.1	0	0	0	0	112.9
249	E	32.8	Very low	38.5	Very low	175 Å²	175	139 Å²	139	82%	0.818	73%	0.725	S	S	*	*			trans	-107.1	9.8	170.6	-81.6	-171.6	167.6	0	0	114.1	N247 N251	N247-E249 PolarHBondContact O-N 2.87Å; E249-N251 VanDerWaalsContact C-N 3.33Å; E249-N251 PolarHBondContact O-N 3.24Å
250	T	33.7	Very low	41	Very low	126 Å²	126	133.5 Å²	133.5	77%	0.773	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-4.3	-174.9	51.9	0	0	0	0	115.5
251	N	32.8	Very low	43.5	Very low	128 Å²	128	126.9 Å²	126.9	68%	0.684	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-4.2	-174.4	-68.4	-1.6	0	0	0	115.3	E249	E249-N251 VanDerWaalsContact C-N 3.33Å; E249-N251 PolarHBondContact O-N 3.24Å
252	N	37.7	Very low	46.1	Very low	117 Å²	117	127.9 Å²	127.9	63%	0.626	69%	0.685	S	S	*	*	S	Bend	trans	-109.3	1.4	-173.4	-77.8	-14.9	0	0	0	115.5
253	L	39.9	Very low	48.8	Very low	150 Å²	150	127 Å²	127	79%	0.785	68%	0.676	S	S	*	*	S	Bend	trans	-76.8	-25.9	-177.1	-151.5	73.3	0	0	0	113.2
254	H	44.1	Very low	51.7	Low	174 Å²	174	120.9 Å²	120.9	81%	0.806	65%	0.654	S	S	*	*	S	Bend	trans	-72.3	-34.5	179.3	-119.1	84.6	0	0	0	112.6	N256 G257	H254-N256 VanDerWaalsContact C-N 3.26Å; H254-N256 PolarHBondContact O-N 2.83Å; H254-G257 PolarHBondContact O-N 3.29Å
255	S	49.4	Very low	54.4	Low	70 Å²	70	117.5 Å²	117.5	49%	0.49	64%	0.636	S	S	.	*	H	α-helix	trans	-67.8	-22.6	-175.8	-34.4	0	0	0	0	114
256	N	55.4	Low	57.3	Low	101 Å²	101	117.7 Å²	117.7	54%	0.54	63%	0.63	S	S	.	*	H	α-helix	trans	-88.5	-15.6	-174.6	-67.7	-17.9	0	0	0	113.5	H254 T259 A260	H254-N256 VanDerWaalsContact C-N 3.26Å; H254-N256 PolarHBondContact O-N 2.83Å; N256-T259 PolarHBondContact O-OG1 3.42Å; N256-T259 VanDerWaalsContact O-OG1 3.14Å; N256-A260 VanDerWaalsContact O-CB 3.29Å; N256-A260 WeakPolarHBondContact O-CB 3.31Å; N256-A260 PolarHBondContact O-N 3.41Å
257	G	59.5	Low	60.3	Low	43 Å²	43	113 Å²	113	44%	0.443	61%	0.614	S	S	.	*	H	α-helix	trans	-69.5	-50.3	-178.8	0	0	0	0	0	112.3	H254 A260 S261	H254-G257 PolarHBondContact O-N 3.29Å; G257-A260 PolarHBondContact O-N 2.9Å; G257-S261 PolarHBondContact O-N 3.28Å
258	D	64	Low	63.2	Low	123 Å²	123	112.1 Å²	112.1	66%	0.658	60%	0.604	S	S	*	*	H	α-helix	trans	-67	-40.3	-176.6	-67	-18.3	0	0	0	112	S261 L262	D258-S261 WeakPolarHBondContact O-CB 3.12Å; D258-S261 PolarHBondContact O-N 3.46Å; D258-L262 WeakPolarHBondContact O-CG 3.34Å; D258-L262 PolarHBondContact O-N 3.26Å
259	T	76.5	Confident	66	Low	75 Å²	75	107.8 Å²	107.8	46%	0.46	57%	0.573	S	S	.	*	H	α-helix	trans	-63.7	-44.9	176.8	54.2	0	0	0	0	111.5	N256 S261 L262 E263	N256-T259 PolarHBondContact O-OG1 3.42Å; N256-T259 VanDerWaalsContact O-OG1 3.14Å; T259-S261 VanDerWaalsContact C-N 3.28Å; T259-S261 PolarHBondContact O-N 3.04Å; T259-L262 PolarHBondContact O-N 3.37Å; T259-E263 WeakPolarHBondContact O-CG 3.44Å; T259-E263 PolarHBondContact O-N 2.87Å
260	A	81.4	Confident	68.9	Low	52 Å²	52	101 Å²	101	43%	0.43	55%	0.55	S	S	.	.	H	α-helix	trans	-62.7	-35.2	175.4	0	0	0	0	0	112.4	N256 G257 N264	N256-A260 VanDerWaalsContact O-CB 3.29Å; N256-A260 WeakPolarHBondContact O-CB 3.31Å; N256-A260 PolarHBondContact O-N 3.41Å; G257-A260 PolarHBondContact O-N 2.9Å; A260-N264 WeakPolarHBondContact O-CB 3.4Å; A260-N264 PolarHBondContact O-N 2.9Å
261	S	77	Confident	71.6	Confident	74 Å²	74	100.4 Å²	100.4	52%	0.517	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-45.4	175.9	-169.6	0	0	0	0	112.2	G257 D258 T259 N264 W265	G257-S261 PolarHBondContact O-N 3.28Å; D258-S261 WeakPolarHBondContact O-CB 3.12Å; D258-S261 PolarHBondContact O-N 3.46Å; T259-S261 VanDerWaalsContact C-N 3.28Å; T259-S261 PolarHBondContact O-N 3.04Å; S261-N264 PolarHBondContact O-N 3.39Å; S261-W265 WeakPolarHBondContact O-CB 3.47Å; S261-W265 PolarHBondContact O-N 3.36Å
262	L	82.5	Confident	74.3	Confident	124 Å²	124	97.1 Å²	97.1	65%	0.649	52%	0.519	S	S	*	.	H	α-helix	trans	-65.8	-38.9	176.6	-68.8	174.2	0	0	0	112.2	D258 T259 W265 K266	D258-L262 WeakPolarHBondContact O-CG 3.34Å; D258-L262 PolarHBondContact O-N 3.26Å; T259-L262 PolarHBondContact O-N 3.37Å; L262-W265 PolarHBondContact O-N 2.91Å; L262-K266 WeakPolarHBondContact O-CB 3.36Å; L262-K266 PolarHBondContact O-N 2.88Å
263	E	86.2	Confident	76.8	Confident	133 Å²	133	94.7 Å²	94.7	62%	0.621	50%	0.503	S	S	*	.	H	α-helix	trans	-63.5	-45.2	173.9	-74.3	-178.3	175.4	0	0	111.7	T259 K266 L267	T259-E263 WeakPolarHBondContact O-CG 3.44Å; T259-E263 PolarHBondContact O-N 2.87Å; E263-K266 PolarHBondContact O-N 3.06Å; E263-L267 WeakPolarHBondContact O-CG 3.46Å; E263-L267 PolarHBondContact O-N 3.05Å
264	N	87.7	Confident	79.2	Confident	86 Å²	86	93.2 Å²	93.2	46%	0.46	50%	0.495	S	S	.	.	H	α-helix	trans	-63.9	-42.5	176.2	-174.8	27.1	0	0	0	111.8	A260 S261 K266 L267 K268	A260-N264 WeakPolarHBondContact O-CB 3.4Å; A260-N264 PolarHBondContact O-N 2.9Å; S261-N264 PolarHBondContact O-N 3.39Å; N264-K266 PolarHBondContact O-N 3.26Å; N264-L267 WeakPolarHBondContact O-CB 3.45Å; N264-L267 PolarHBondContact O-N 3.33Å; N264-K268 WeakPolarHBondContact O-CB 3.26Å; N264-K268 VanDerWaalsContact O-CG 3.3Å; N264-K268 WeakPolarHBondContact O-CG 3.49Å; N264-K268 PolarHBondContact O-N 3.19Å
265	W	85.9	Confident	81.4	Confident	118 Å²	118	90.2 Å²	90.2	45%	0.447	48%	0.483	S	S	.	.	H	α-helix	trans	-55.8	-51.1	173.7	174.6	-99.3	0	0	0	111.2	S261 L262 L267 K268 I269 E369	S261-W265 WeakPolarHBondContact O-CB 3.47Å; S261-W265 PolarHBondContact O-N 3.36Å; L262-W265 PolarHBondContact O-N 2.91Å; W265-L267 VanDerWaalsContact C-N 3.29Å; W265-L267 PolarHBondContact O-N 3.02Å; W265-K268 PolarHBondContact O-N 3.5Å; W265-K268 VanDerWaalsContact O-N 3.1Å; W265-I269 HydrophobicContact CD2-CD1 4.5Å; W265-I269 HydrophobicContact CD2-CG1 4.02Å; W265-I269 HydrophobicContact CG-CG1 4.34Å; W265-I269 HydrophobicContact CH2-CD1 4.05Å; W265-I269 HydrophobicContact CZ2-CD1 3.66Å; W265-I269 HydrophobicContact CZ2-CG1 3.91Å; W265-I269 WeakPolarHBondContact O-CB 3.47Å; W265-I269 WeakPolarHBondContact O-CG1 3.47Å; W265-I269 PolarHBondContact O-N 2.87Å; W265-E369 PolarHBondContact NE1-OE1 3.17Å
266	K	88.9	Confident	83.3	Confident	160 Å²	160	87 Å²	87	70%	0.696	46%	0.46	S	S	*	.	H	α-helix	trans	-57.2	-41.9	176.8	-174.6	179.9	179.7	-179.8	0	112.2	L262 E263 N264 G270	L262-K266 WeakPolarHBondContact O-CB 3.36Å; L262-K266 PolarHBondContact O-N 2.88Å; E263-K266 PolarHBondContact O-N 3.06Å; N264-K266 PolarHBondContact O-N 3.26Å; K266-G270 PolarHBondContact O-N 3.16Å
267	L	91.1	Very high	84.9	Confident	114 Å²	114	87.3 Å²	87.3	60%	0.597	46%	0.458	S	S	*	.	H	α-helix	trans	-63.7	-44.2	175.6	-72.2	172.5	0	0	0	112.1	E263 N264 W265 G270 Q271	E263-L267 WeakPolarHBondContact O-CG 3.46Å; E263-L267 PolarHBondContact O-N 3.05Å; N264-L267 WeakPolarHBondContact O-CB 3.45Å; N264-L267 PolarHBondContact O-N 3.33Å; W265-L267 VanDerWaalsContact C-N 3.29Å; W265-L267 PolarHBondContact O-N 3.02Å; L267-G270 PolarHBondContact O-N 3.41Å; L267-Q271 WeakPolarHBondContact O-CG 3.3Å; L267-Q271 PolarHBondContact O-N 2.94Å
268	K	89.9	Confident	86.4	Confident	110 Å²	110	92.8 Å²	92.8	48%	0.478	47%	0.47	S	S	.	.	H	α-helix	trans	-67.9	-42.4	-180	-70.4	-67.8	174.3	-169.8	0	112.6	N264 W265 G270 Q271 Q272	N264-K268 WeakPolarHBondContact O-CB 3.26Å; N264-K268 VanDerWaalsContact O-CG 3.3Å; N264-K268 WeakPolarHBondContact O-CG 3.49Å; N264-K268 PolarHBondContact O-N 3.19Å; W265-K268 PolarHBondContact O-N 3.5Å; W265-K268 VanDerWaalsContact O-N 3.1Å; K268-G270 VanDerWaalsContact C-N 3.28Å; K268-G270 PolarHBondContact O-N 3.09Å; K268-Q271 PolarHBondContact O-N 3.06Å; K268-Q272 PolarHBondContact O-N 3.39Å
269	I	90.4	Very high	87.6	Confident	11 Å²	11	89.5 Å²	89.5	6%	0.056	45%	0.452	C	S	.	.	H	α-helix	trans	-60.1	-41.5	171.7	-69	-58.8	0	0	0	110.7	W265 Q271 Q272 K273 E369 K370	W265-I269 HydrophobicContact CD2-CD1 4.5Å; W265-I269 HydrophobicContact CD2-CG1 4.02Å; W265-I269 HydrophobicContact CG-CG1 4.34Å; W265-I269 HydrophobicContact CH2-CD1 4.05Å; W265-I269 HydrophobicContact CZ2-CD1 3.66Å; W265-I269 HydrophobicContact CZ2-CG1 3.91Å; W265-I269 WeakPolarHBondContact O-CB 3.47Å; W265-I269 WeakPolarHBondContact O-CG1 3.47Å; W265-I269 PolarHBondContact O-N 2.87Å; I269-Q271 PolarHBondContact O-N 2.74Å; I269-Q272 PolarHBondContact O-N 3.38Å; I269-K273 HydrophobicContact CG2-CD 4.38Å; I269-K273 WeakPolarHBondContact O-CG 3.43Å; I269-K273 PolarHBondContact O-N 3.08Å; I269-E369 HydrophobicContact CG2-CG 4.38Å; I269-E369 WeakPolarHBondContact CG2-O 3.41Å; I269-K370 HydrophobicContact CD1-CG 4.22Å
270	G	91.8	Very high	88.2	Confident	32 Å²	32	86.9 Å²	86.9	33%	0.33	44%	0.437	S	S	.	.	H	α-helix	trans	-58.1	-46.3	172.8	0	0	0	0	0	113	K266 L267 K268 K273 L274	K266-G270 PolarHBondContact O-N 3.16Å; L267-G270 PolarHBondContact O-N 3.41Å; K268-G270 VanDerWaalsContact C-N 3.28Å; K268-G270 PolarHBondContact O-N 3.09Å; G270-K273 PolarHBondContact O-N 3.33Å; G270-L274 WeakPolarHBondContact O-CG 3.36Å; G270-L274 PolarHBondContact O-N 2.68Å; G270-L274 VanDerWaalsContact O-N 3.1Å
271	Q	91	Very high	88.6	Confident	113 Å²	113	90.3 Å²	90.3	53%	0.528	45%	0.448	S	S	.	.	H	α-helix	trans	-62.4	-43	176	-70.9	175.3	-5	0	0	112.1	L267 K268 I269 L274 M275	L267-Q271 WeakPolarHBondContact O-CG 3.3Å; L267-Q271 PolarHBondContact O-N 2.94Å; K268-Q271 PolarHBondContact O-N 3.06Å; I269-Q271 PolarHBondContact O-N 2.74Å; Q271-L274 PolarHBondContact O-N 3.2Å; Q271-M275 PolarHBondContact O-N 3.12Å; Q271-M275 VanDerWaalsContact O-N 3.09Å
272	Q	89.8	Confident	89.4	Confident	59 Å²	59	93.3 Å²	93.3	28%	0.276	46%	0.457	S	S	.	.	H	α-helix	trans	-60.7	-45.6	177.1	-177	173.3	4.9	0	0	111.2	K268 I269 L274 M275 Q276 M292	K268-Q272 PolarHBondContact O-N 3.39Å; I269-Q272 PolarHBondContact O-N 3.38Å; Q272-L274 PolarHBondContact O-N 2.95Å; Q272-M275 PolarHBondContact O-N 2.94Å; Q272-Q276 VanDerWaalsContact O-CB 3.3Å; Q272-Q276 WeakPolarHBondContact O-CB 3.49Å; Q272-Q276 PolarHBondContact O-N 3.23Å; Q272-M292 HydrophobicContact CG-CE 3.96Å
273	K	90.1	Very high	89.6	Confident	67 Å²	67	92.5 Å²	92.5	29%	0.291	45%	0.452	S	S	.	.	H	α-helix	trans	-59.6	-43.6	176.4	-78.2	-179.3	168.5	174.5	0	112.8	I269 G270 M275 Q276 Q277 I368 E369 K370	I269-K273 HydrophobicContact CG2-CD 4.38Å; I269-K273 WeakPolarHBondContact O-CG 3.43Å; I269-K273 PolarHBondContact O-N 3.08Å; G270-K273 PolarHBondContact O-N 3.33Å; K273-M275 VanDerWaalsContact C-N 3.34Å; K273-M275 PolarHBondContact O-N 2.89Å; K273-Q276 PolarHBondContact O-N 3.29Å; K273-Q277 WeakPolarHBondContact O-CB 3.49Å; K273-Q277 WeakPolarHBondContact O-CG 3.39Å; K273-Q277 PolarHBondContact O-N 3.32Å; K273-I368 PolarHBondContact NZ-O 3.12Å; K273-E369 WeakPolarHBondContact CE-O 3.25Å; K273-E369 PolarHBondContact NZ-O 2.78Å; K273-K370 VanDerWaalsContact CE-C 3.49Å
274	L	91	Very high	89.6	Confident	118 Å²	118	95.5 Å²	95.5	62%	0.618	46%	0.462	S	S	*	.	H	α-helix	trans	-62.5	-42.7	177.6	-71.1	173.8	0	0	0	111.8	G270 Q271 Q272 K278	G270-L274 WeakPolarHBondContact O-CG 3.36Å; G270-L274 PolarHBondContact O-N 2.68Å; G270-L274 VanDerWaalsContact O-N 3.1Å; Q271-L274 PolarHBondContact O-N 3.2Å; Q272-L274 PolarHBondContact O-N 2.95Å; L274-K278 WeakPolarHBondContact O-CB 3.38Å; L274-K278 PolarHBondContact O-N 3.43Å
275	M	89.6	Confident	89.4	Confident	112 Å²	112	98.3 Å²	98.3	55%	0.552	47%	0.466	S	S	*	.	H	α-helix	trans	-65.4	-43.6	175.8	-177.1	171.6	172.2	0	0	111.4	Q271 Q272 K273 K278 L279	Q271-M275 PolarHBondContact O-N 3.12Å; Q271-M275 VanDerWaalsContact O-N 3.09Å; Q272-M275 PolarHBondContact O-N 2.94Å; K273-M275 VanDerWaalsContact C-N 3.34Å; K273-M275 PolarHBondContact O-N 2.89Å; M275-K278 PolarHBondContact O-N 3.26Å; M275-L279 HydrophobicContact CE-CD1 4.01Å; M275-L279 HydrophobicContact CG-CD1 4.09Å; M275-L279 HydrophobicContact CG-CG 4.48Å; M275-L279 WeakPolarHBondContact O-CB 3.47Å; M275-L279 WeakPolarHBondContact O-CG 3.48Å; M275-L279 PolarHBondContact O-N 2.94Å
276	Q	90	Very high	89.4	Confident	3 Å²	3	97.5 Å²	97.5	1%	0.014	47%	0.466	C	S	.	.	H	α-helix	trans	-60	-46.6	177.4	-168.5	-174.3	26.2	0	0	111.3	Q272 K273 L279 S280 L290 M292 N293 K370 G371	Q272-Q276 VanDerWaalsContact O-CB 3.3Å; Q272-Q276 WeakPolarHBondContact O-CB 3.49Å; Q272-Q276 PolarHBondContact O-N 3.23Å; K273-Q276 PolarHBondContact O-N 3.29Å; Q276-L279 PolarHBondContact O-N 3.45Å; Q276-S280 WeakPolarHBondContact O-CB 3.49Å; Q276-S280 PolarHBondContact O-N 3.43Å; Q276-L290 HydrophobicContact CB-CD1 4.49Å; Q276-L290 HydrophobicContact CG-CD1 3.68Å; Q276-L290 WeakPolarHBondContact O-CD1 3.48Å; Q276-M292 HydrophobicContact CB-SD 4.19Å; Q276-M292 HydrophobicContact CG-SD 4.33Å; Q276-N293 PolarHBondContact NE2-ND2 3.07Å; Q276-K370 PolarHBondContact OE1-O 3.23Å; Q276-G371 PolarHBondContact NE2-O 3.35Å; Q276-G371 PolarHBondContact OE1-O 2.86Å
277	Q	88.5	Confident	89	Confident	107 Å²	107	91.2 Å²	91.2	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-62.5	-44.4	175.3	-74.8	177	-5.1	0	0	111.9	K273 L279 S280 N281	K273-Q277 WeakPolarHBondContact O-CB 3.49Å; K273-Q277 WeakPolarHBondContact O-CG 3.39Å; K273-Q277 PolarHBondContact O-N 3.32Å; Q277-L279 VanDerWaalsContact C-N 3.33Å; Q277-L279 PolarHBondContact O-N 3.37Å; Q277-S280 PolarHBondContact O-N 3.34Å; Q277-N281 VanDerWaalsContact O-CB 3.32Å; Q277-N281 WeakPolarHBondContact O-CB 3.4Å; Q277-N281 PolarHBondContact O-N 2.84Å; Q277-N281 PolarHBondContact O-ND2 2.68Å
278	K	91.1	Very high	88.4	Confident	158 Å²	158	88.4 Å²	88.4	69%	0.687	43%	0.428	S	S	*	.	H	α-helix	trans	-58.8	-45.4	176.8	-176.9	179.2	178.2	-179.8	0	111.6	L274 M275 L282	L274-K278 WeakPolarHBondContact O-CB 3.38Å; L274-K278 PolarHBondContact O-N 3.43Å; M275-K278 PolarHBondContact O-N 3.26Å; K278-L282 VanDerWaalsContact O-CB 3.29Å; K278-L282 WeakPolarHBondContact O-CB 3.2Å; K278-L282 PolarHBondContact O-N 2.61Å
279	L	89	Confident	88	Confident	53 Å²	53	85 Å²	85	28%	0.277	42%	0.415	S	S	.	.	H	α-helix	trans	-69.8	-41.6	178.1	-69.4	174.8	0	0	0	112.2	M275 Q276 Q277 N281 L282 M283 L290 M292	M275-L279 HydrophobicContact CE-CD1 4.01Å; M275-L279 HydrophobicContact CG-CD1 4.09Å; M275-L279 HydrophobicContact CG-CG 4.48Å; M275-L279 WeakPolarHBondContact O-CB 3.47Å; M275-L279 WeakPolarHBondContact O-CG 3.48Å; M275-L279 PolarHBondContact O-N 2.94Å; Q276-L279 PolarHBondContact O-N 3.45Å; Q277-L279 VanDerWaalsContact C-N 3.33Å; Q277-L279 PolarHBondContact O-N 3.37Å; L279-N281 VanDerWaalsContact C-N 3.35Å; L279-N281 PolarHBondContact O-N 3.34Å; L279-L282 PolarHBondContact O-N 3.33Å; L279-M283 WeakPolarHBondContact O-CB 3.37Å; L279-M283 WeakPolarHBondContact O-CG 3.46Å; L279-M283 PolarHBondContact O-N 2.91Å; L279-L290 HydrophobicContact CB-CD1 4.12Å; L279-L290 HydrophobicContact CB-CD2 4.26Å; L279-M292 HydrophobicContact CD1-SD 4.06Å
280	S	89.8	Confident	87.7	Confident	21 Å²	21	84.8 Å²	84.8	15%	0.147	41%	0.414	C	S	.	.	H	α-helix	trans	-58	-47	175.2	175.4	0	0	0	0	111	Q276 Q277 K284 R285	Q276-S280 WeakPolarHBondContact O-CB 3.49Å; Q276-S280 PolarHBondContact O-N 3.43Å; Q277-S280 PolarHBondContact O-N 3.34Å; S280-K284 VanDerWaalsContact O-CA 3.27Å; S280-K284 WeakPolarHBondContact O-CA 3.32Å; S280-K284 PolarHBondContact O-N 2.73Å; S280-R285 WeakPolarHBondContact CA-O 3.37Å; S280-R285 WeakPolarHBondContact CB-O 3.43Å; S280-R285 PolarHBondContact O-N 2.73Å; S280-R285 PolarHBondContact OG-O 3.19Å
281	N	90.1	Very high	87.2	Confident	124 Å²	124	90.3 Å²	90.3	66%	0.663	43%	0.434	S	S	*	.	H	α-helix	trans	-64.8	-42.8	176.8	-69.4	-17.6	0	0	0	112.2	Q277 L279	Q277-N281 VanDerWaalsContact O-CB 3.32Å; Q277-N281 WeakPolarHBondContact O-CB 3.4Å; Q277-N281 PolarHBondContact O-N 2.84Å; Q277-N281 PolarHBondContact O-ND2 2.68Å; L279-N281 VanDerWaalsContact C-N 3.35Å; L279-N281 PolarHBondContact O-N 3.34Å
282	L	92.4	Very high	86.8	Confident	137 Å²	137	88.6 Å²	88.6	72%	0.717	43%	0.427	S	S	*	.	H	α-helix	trans	-65.9	-44.5	179.9	-177.1	66.8	0	0	0	112.2	K278 L279	K278-L282 VanDerWaalsContact O-CB 3.29Å; K278-L282 WeakPolarHBondContact O-CB 3.2Å; K278-L282 PolarHBondContact O-N 2.61Å; L279-L282 PolarHBondContact O-N 3.33Å
283	M	86.3	Confident	86.5	Confident	107 Å²	107	86 Å²	86	53%	0.527	42%	0.415	S	S	.	.	H	α-helix	trans	-89	-8.5	-176.4	-60	-166.1	82.8	0	0	113.4	L279 R285 L290	L279-M283 WeakPolarHBondContact O-CB 3.37Å; L279-M283 WeakPolarHBondContact O-CG 3.46Å; L279-M283 PolarHBondContact O-N 2.91Å; M283-R285 HydrophobicContact CB-CB 4.47Å; M283-R285 HydrophobicContact CB-CG 4.34Å; M283-R285 PolarHBondContact O-N 2.87Å; M283-L290 HydrophobicContact SD-CD2 4.35Å
284	K	86.4	Confident	85.9	Confident	195 Å²	195	86.7 Å²	86.7	85%	0.848	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	41.9	-172.2	-57.3	-176.9	179.5	-177.7	0	112.4	S280	S280-K284 VanDerWaalsContact O-CA 3.27Å; S280-K284 WeakPolarHBondContact O-CA 3.32Å; S280-K284 PolarHBondContact O-N 2.73Å
285	R	85.2	Confident	85.3	Confident	145 Å²	145	83.4 Å²	83.4	55%	0.547	42%	0.424	S	S	.	.			trans	-121	151.6	177.9	-69.7	-170.5	-179.4	-164.5	-1.5	110.3	S280 M283 D289	S280-R285 WeakPolarHBondContact CA-O 3.37Å; S280-R285 WeakPolarHBondContact CB-O 3.43Å; S280-R285 PolarHBondContact O-N 2.73Å; S280-R285 PolarHBondContact OG-O 3.19Å; M283-R285 HydrophobicContact CB-CB 4.47Å; M283-R285 HydrophobicContact CB-CG 4.34Å; M283-R285 PolarHBondContact O-N 2.87Å; R285-D289 HydrophobicContact CB-CB 4.32Å
286	K	84.2	Confident	84.9	Confident	101 Å²	101	80.8 Å²	80.8	44%	0.439	41%	0.41	S	S	.	.			trans	-62.6	149.3	174.2	-72.4	176.2	177.1	177.6	0	109.5	N288 D289 S383	K286-N288 PolarHBondContact O-N 2.92Å; K286-N288 VanDerWaalsContact O-N 3.14Å; K286-D289 PolarHBondContact O-N 3.38Å; K286-S383 PolarHBondContact NZ-OG 3.33Å
287	S	81.8	Confident	84.3	Confident	29 Å²	29	83.3 Å²	83.3	20%	0.203	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-53.2	-33.8	178.7	-68.3	0	0	0	0	112.8	N293	S287-N293 PolarHBondContact O-ND2 3.34Å
288	N	78.7	Confident	84.1	Confident	55 Å²	55	84.5 Å²	84.5	29%	0.294	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-68.8	-29	176.1	-162.2	32.8	0	0	0	114	K286 L290 I372	K286-N288 PolarHBondContact O-N 2.92Å; K286-N288 VanDerWaalsContact O-N 3.14Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 3.18Å; N288-I372 HydrophobicContact CB-CG2 4.41Å; N288-I372 WeakPolarHBondContact OD1-CG2 3.25Å
289	D	80.4	Confident	83.8	Confident	38 Å²	38	80 Å²	80	20%	0.203	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-85.4	-1	-177.5	-57.8	-26	0	0	0	112.9	R285 K286 I390	R285-D289 HydrophobicContact CB-CB 4.32Å; K286-D289 PolarHBondContact O-N 3.38Å; D289-I390 HydrophobicContact CB-CD1 4.29Å; D289-I390 WeakPolarHBondContact OD1-CD1 3.34Å
290	L	83.9	Confident	83.6	Confident	6 Å²	6	80.6 Å²	80.6	3%	0.031	41%	0.408	C	S	.	.	S	Bend	trans	-74.1	137.4	177.9	-62.4	177.3	0	0	0	109.9	Q276 L279 M283 N288 M292 N293 S294	Q276-L290 HydrophobicContact CB-CD1 4.49Å; Q276-L290 HydrophobicContact CG-CD1 3.68Å; Q276-L290 WeakPolarHBondContact O-CD1 3.48Å; L279-L290 HydrophobicContact CB-CD1 4.12Å; L279-L290 HydrophobicContact CB-CD2 4.26Å; M283-L290 HydrophobicContact SD-CD2 4.35Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 3.18Å; L290-M292 HydrophobicContact CB-CG 4.12Å; L290-M292 HydrophobicContact CD1-SD 4.47Å; L290-M292 PolarHBondContact O-N 3.36Å; L290-M292 VanDerWaalsContact O-N 3.08Å; L290-N293 PolarHBondContact O-N 2.93Å; L290-S294 PolarHBondContact O-N 2.86Å
291	I	83	Confident	83.4	Confident	148 Å²	148	82.7 Å²	82.7	76%	0.759	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-53.7	-36.1	-180	-66.9	169.9	0	0	0	111.5	N293 S294	I291-N293 PolarHBondContact O-N 3.36Å; I291-N293 VanDerWaalsContact O-N 3.14Å; I291-S294 WeakPolarHBondContact O-CB 3.41Å; I291-S294 PolarHBondContact O-N 3.49Å; I291-S294 VanDerWaalsContact O-N 3.12Å; I291-S294 PolarHBondContact O-OG 2.85Å
292	M	81.2	Confident	83.3	Confident	77 Å²	77	80 Å²	80	38%	0.379	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-59.7	-24.5	178	76.3	-174.2	-63.1	0	0	113.9	Q272 Q276 L279 L290	Q272-M292 HydrophobicContact CG-CE 3.96Å; Q276-M292 HydrophobicContact CB-SD 4.19Å; Q276-M292 HydrophobicContact CG-SD 4.33Å; L279-M292 HydrophobicContact CD1-SD 4.06Å; L290-M292 HydrophobicContact CB-CG 4.12Å; L290-M292 HydrophobicContact CD1-SD 4.47Å; L290-M292 PolarHBondContact O-N 3.36Å; L290-M292 VanDerWaalsContact O-N 3.08Å
293	N	84.5	Confident	83.1	Confident	4 Å²	4	74.2 Å²	74.2	2%	0.021	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-107.5	-3.7	179.2	-55.6	-45.8	0	0	0	112.9	Q276 S287 L290 I291 G295 E296	Q276-N293 PolarHBondContact NE2-ND2 3.07Å; S287-N293 PolarHBondContact O-ND2 3.34Å; L290-N293 PolarHBondContact O-N 2.93Å; I291-N293 PolarHBondContact O-N 3.36Å; I291-N293 VanDerWaalsContact O-N 3.14Å; N293-G295 PolarHBondContact O-N 3.23Å; N293-E296 WeakPolarHBondContact O-CG 3.4Å; N293-E296 PolarHBondContact O-N 2.97Å; N293-E296 VanDerWaalsContact O-N 3.16Å
294	S	76.5	Confident	83.3	Confident	82 Å²	82	70.9 Å²	70.9	57%	0.573	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18	-179.1	65.6	0	0	0	0	114.1	L290 I291	L290-S294 PolarHBondContact O-N 2.86Å; I291-S294 WeakPolarHBondContact O-CB 3.41Å; I291-S294 PolarHBondContact O-N 3.49Å; I291-S294 VanDerWaalsContact O-N 3.12Å; I291-S294 PolarHBondContact O-OG 2.85Å
295	G	79.3	Confident	83.4	Confident	50 Å²	50	66.7 Å²	66.7	52%	0.515	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.9	177.6	0	0	0	0	0	115.1	N293 N297 F298	N293-G295 PolarHBondContact O-N 3.23Å; G295-N297 VanDerWaalsContact C-N 3.29Å; G295-N297 PolarHBondContact O-N 3.36Å; G295-F298 VanDerWaalsContact O-CB 3.23Å; G295-F298 WeakPolarHBondContact O-CB 3.35Å; G295-F298 PolarHBondContact O-N 2.96Å
296	E	81.4	Confident	83.6	Confident	57 Å²	57	61.5 Å²	61.5	27%	0.266	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-34.5	-174.4	-64	-74	173.4	0	0	112	N293 K370 I372	N293-E296 WeakPolarHBondContact O-CG 3.4Å; N293-E296 PolarHBondContact O-N 2.97Å; N293-E296 VanDerWaalsContact O-N 3.16Å; E296-K370 IonicContact OE1-NZ 3.68Å; E296-K370 PolarHBondContact OE1-NZ 3.08Å; E296-K370 IonicContact OE2-NZ 3.95Å; E296-K370 PolarHBondContact OE2-NZ 3.34Å; E296-I372 HydrophobicContact CG-CD1 3.74Å; E296-I372 WeakPolarHBondContact OE1-CD1 3.46Å
297	N	76.9	Confident	83.8	Confident	55 Å²	55	57.8 Å²	57.8	29%	0.294	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.6	177.1	-67.1	-28.2	0	0	0	114	G295 Y299 E300 I301	G295-N297 VanDerWaalsContact C-N 3.29Å; G295-N297 PolarHBondContact O-N 3.36Å; N297-Y299 PolarHBondContact O-N 3.45Å; N297-E300 PolarHBondContact O-N 3.47Å; N297-I301 WeakPolarHBondContact O-CG1 3.39Å; N297-I301 PolarHBondContact O-N 3.5Å
298	F	83.1	Confident	84	Confident	132 Å²	132	56.7 Å²	56.7	58%	0.579	29%	0.292	S	S	*	.	H	α-helix	trans	-62.4	-44.1	-174.1	175.4	-100	0	0	0	112	G295 I301 Q302	G295-F298 VanDerWaalsContact O-CB 3.23Å; G295-F298 WeakPolarHBondContact O-CB 3.35Å; G295-F298 PolarHBondContact O-N 2.96Å; F298-I301 PolarHBondContact O-N 3.02Å; F298-Q302 WeakPolarHBondContact O-CB 3.09Å; F298-Q302 PolarHBondContact O-N 2.92Å
299	Y	86	Confident	84.3	Confident	65 Å²	65	56.8 Å²	56.8	26%	0.255	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-42.8	-179.3	-171.8	-88.1	0	0	0	111.8	N297 I301 Q302 L303 E358 I360	N297-Y299 PolarHBondContact O-N 3.45Å; Y299-I301 VanDerWaalsContact C-N 3.31Å; Y299-I301 PolarHBondContact O-N 2.72Å; Y299-Q302 CarbonylContact O-C 3.3Å; Y299-Q302 PolarHBondContact O-N 3.12Å; Y299-Q302 VanDerWaalsContact O-N 3.09Å; Y299-L303 HydrophobicContact CD1-CB 4.33Å; Y299-L303 HydrophobicContact CE1-CB 4.13Å; Y299-L303 HydrophobicContact CE1-CD1 4.35Å; Y299-L303 HydrophobicContact CE1-CD2 4.2Å; Y299-L303 HydrophobicContact CE1-CG 4.46Å; Y299-L303 VanDerWaalsContact O-CB 3.32Å; Y299-L303 WeakPolarHBondContact O-CB 3.18Å; Y299-L303 PolarHBondContact O-N 3.48Å; Y299-E358 VanDerWaalsContact OH-C 3.31Å; Y299-E358 VanDerWaalsContact OH-CB 3.3Å; Y299-E358 WeakPolarHBondContact OH-CB 3.41Å; Y299-E358 PolarHBondContact OH-O 3.43Å; Y299-I360 HydrophobicContact CD1-CB 3.71Å; Y299-I360 WeakPolarHBondContact CD1-O 3.41Å; Y299-I360 HydrophobicContact CD2-CB 4.13Å; Y299-I360 HydrophobicContact CD2-CD1 4.23Å; Y299-I360 HydrophobicContact CE1-CB 3.55Å; Y299-I360 HydrophobicContact CE1-CD1 4.5Å; Y299-I360 HydrophobicContact CE1-CG1 3.94Å; Y299-I360 VanDerWaalsContact CE1-N 3.28Å; Y299-I360 HydrophobicContact CE2-CB 3.97Å; Y299-I360 HydrophobicContact CE2-CD1 3.57Å; Y299-I360 HydrophobicContact CE2-CG1 3.93Å; Y299-I360 HydrophobicContact CG-CB 3.98Å
300	E	84.9	Confident	84.6	Confident	64 Å²	64	56.4 Å²	56.4	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-59	-43.5	178.5	-172.7	-174.4	175.9	0	0	111.7	N297 Q302 L303 T304 K391	N297-E300 PolarHBondContact O-N 3.47Å; E300-Q302 VanDerWaalsContact C-N 3.34Å; E300-Q302 PolarHBondContact O-N 3.2Å; E300-L303 PolarHBondContact O-N 2.72Å; E300-T304 WeakPolarHBondContact O-CB 3.22Å; E300-T304 PolarHBondContact O-N 2.95Å; E300-T304 PolarHBondContact O-OG1 3.31Å; E300-K391 VanDerWaalsContact CD-CE 3.5Å; E300-K391 VanDerWaalsContact OE1-CE 3.26Å; E300-K391 WeakPolarHBondContact OE1-CE 3.49Å; E300-K391 IonicContact OE1-NZ 3.64Å; E300-K391 PolarHBondContact OE1-NZ 3.39Å; E300-K391 WeakPolarHBondContact OE2-CE 3.37Å; E300-K391 IonicContact OE2-NZ 3.55Å; E300-K391 PolarHBondContact OE2-NZ 3.4Å
301	I	84.8	Confident	84.6	Confident	66 Å²	66	56.4 Å²	56.4	34%	0.338	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-42.9	176	-64.3	166.7	0	0	0	110.2	N297 F298 Y299 T304 R305 L397	N297-I301 WeakPolarHBondContact O-CG1 3.39Å; N297-I301 PolarHBondContact O-N 3.5Å; F298-I301 PolarHBondContact O-N 3.02Å; Y299-I301 VanDerWaalsContact C-N 3.31Å; Y299-I301 PolarHBondContact O-N 2.72Å; I301-T304 PolarHBondContact O-N 3Å; I301-R305 WeakPolarHBondContact O-CG 3.36Å; I301-R305 PolarHBondContact O-N 3.24Å; I301-L397 HydrophobicContact CG2-CD1 4.16Å
302	Q	88.2	Confident	84.4	Confident	67 Å²	67	50.3 Å²	50.3	31%	0.313	26%	0.257	S	S	.	.	H	α-helix	trans	-69	-39	-179.5	-171.2	55.3	40	0	0	112.4	F298 Y299 E300 T304 R305 E306	F298-Q302 WeakPolarHBondContact O-CB 3.09Å; F298-Q302 PolarHBondContact O-N 2.92Å; Y299-Q302 CarbonylContact O-C 3.3Å; Y299-Q302 PolarHBondContact O-N 3.12Å; Y299-Q302 VanDerWaalsContact O-N 3.09Å; E300-Q302 VanDerWaalsContact C-N 3.34Å; E300-Q302 PolarHBondContact O-N 3.2Å; Q302-T304 VanDerWaalsContact C-N 3.35Å; Q302-R305 WeakPolarHBondContact O-CB 3.38Å; Q302-R305 PolarHBondContact O-N 3.02Å; Q302-E306 WeakPolarHBondContact O-CB 3.28Å; Q302-E306 PolarHBondContact O-N 3.13Å
303	L	89.3	Confident	84.1	Confident	15 Å²	15	47.7 Å²	47.7	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-45.3	174.1	-176.3	64.9	0	0	0	110.5	Y299 E300 R305 E306 K307 I357 E358 F359	Y299-L303 HydrophobicContact CD1-CB 4.33Å; Y299-L303 HydrophobicContact CE1-CB 4.13Å; Y299-L303 HydrophobicContact CE1-CD1 4.35Å; Y299-L303 HydrophobicContact CE1-CD2 4.2Å; Y299-L303 HydrophobicContact CE1-CG 4.46Å; Y299-L303 VanDerWaalsContact O-CB 3.32Å; Y299-L303 WeakPolarHBondContact O-CB 3.18Å; Y299-L303 PolarHBondContact O-N 3.48Å; E300-L303 PolarHBondContact O-N 2.72Å; L303-R305 PolarHBondContact O-N 3.5Å; L303-E306 PolarHBondContact O-N 3.03Å; L303-K307 WeakPolarHBondContact O-CG 3.5Å; L303-K307 PolarHBondContact O-N 3.44Å; L303-I357 HydrophobicContact CD1-CG2 3.57Å; L303-E358 VanDerWaalsContact CD1-O 3.27Å; L303-E358 WeakPolarHBondContact CD1-O 3.45Å; L303-F359 HydrophobicContact CD2-CD1 3.9Å; L303-F359 HydrophobicContact CD2-CE1 4.2Å
304	T	88.9	Confident	83.7	Confident	37 Å²	37	52.5 Å²	52.5	23%	0.227	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-45.4	176.5	-55	0	0	0	0	111.4	E300 I301 Q302 E306 K307 I308	E300-T304 WeakPolarHBondContact O-CB 3.22Å; E300-T304 PolarHBondContact O-N 2.95Å; E300-T304 PolarHBondContact O-OG1 3.31Å; I301-T304 PolarHBondContact O-N 3Å; Q302-T304 VanDerWaalsContact C-N 3.35Å; T304-E306 VanDerWaalsContact C-N 3.3Å; T304-E306 PolarHBondContact O-N 3.16Å; T304-K307 PolarHBondContact O-N 2.93Å; T304-I308 HydrophobicContact CG2-CD1 4.07Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 2.94Å
305	R	89.2	Confident	83.7	Confident	107 Å²	107	50.7 Å²	50.7	40%	0.404	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-41.8	174.8	-74.2	169.2	177.3	174.9	0.5	112.1	I301 Q302 L303 I308 D309 L397	I301-R305 WeakPolarHBondContact O-CG 3.36Å; I301-R305 PolarHBondContact O-N 3.24Å; Q302-R305 WeakPolarHBondContact O-CB 3.38Å; Q302-R305 PolarHBondContact O-N 3.02Å; L303-R305 PolarHBondContact O-N 3.5Å; R305-I308 PolarHBondContact O-N 2.95Å; R305-D309 WeakPolarHBondContact O-CB 3.34Å; R305-D309 PolarHBondContact O-N 2.89Å; R305-L397 HydrophobicContact CG-CD1 4.17Å; R305-L397 HydrophobicContact CG-CD2 3.86Å
306	E	88.4	Confident	83.2	Confident	37 Å²	37	48.7 Å²	48.7	17%	0.173	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-43.1	178.8	176.7	146.6	-164	0	0	112	Q302 L303 T304 I308 D309 R310 K349	Q302-E306 WeakPolarHBondContact O-CB 3.28Å; Q302-E306 PolarHBondContact O-N 3.13Å; L303-E306 PolarHBondContact O-N 3.03Å; T304-E306 VanDerWaalsContact C-N 3.3Å; T304-E306 PolarHBondContact O-N 3.16Å; E306-I308 VanDerWaalsContact C-N 3.32Å; E306-I308 PolarHBondContact O-N 3.49Å; E306-D309 PolarHBondContact O-N 3.18Å; E306-R310 WeakPolarHBondContact O-CG 3.15Å; E306-R310 PolarHBondContact O-N 3.35Å; E306-R310 VanDerWaalsContact O-N 3.12Å; E306-R310 IonicContact OE1-CZ 3.76Å; E306-R310 IonicContact OE1-NE 3.77Å; E306-R310 IonicContact OE1-NH2 3.35Å; E306-R310 PolarHBondContact OE1-NH2 3.11Å; E306-K349 WeakPolarHBondContact OE1-CE 3.02Å; E306-K349 IonicContact OE1-NZ 2.63Å; E306-K349 PolarHBondContact OE1-NZ 3.5Å; E306-K349 IonicContact OE2-NZ 2.8Å; E306-K349 PolarHBondContact OE2-NZ 3.16Å
307	K	88.9	Confident	82.3	Confident	22 Å²	22	50.5 Å²	50.5	10%	0.096	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-47.1	173.2	-70.4	177.2	-178.8	179.5	0	110.7	L303 T304 R310 L311 I357 L408 M411 E415	L303-K307 WeakPolarHBondContact O-CG 3.5Å; L303-K307 PolarHBondContact O-N 3.44Å; T304-K307 PolarHBondContact O-N 2.93Å; K307-R310 PolarHBondContact O-N 3.3Å; K307-L311 WeakPolarHBondContact O-CG 3.34Å; K307-L311 PolarHBondContact O-N 3.28Å; K307-I357 HydrophobicContact CG-CD1 4.48Å; K307-L408 HydrophobicContact CB-CD2 3.59Å; K307-L408 HydrophobicContact CD-CD2 4.13Å; K307-L408 HydrophobicContact CG-CD2 4.35Å; K307-M411 HydrophobicContact CB-CE 3.69Å; K307-M411 HydrophobicContact CG-CE 3.86Å; K307-E415 IonicContact NZ-OE2 3.78Å; K307-E415 PolarHBondContact NZ-OE2 3.12Å
308	I	87.3	Confident	81.3	Confident	7 Å²	7	49.8 Å²	49.8	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-45.4	177.7	-68.8	168.6	0	0	0	111.5	T304 R305 E306 R310 L311 I312 L397 R400 L404	T304-I308 HydrophobicContact CG2-CD1 4.07Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 2.94Å; R305-I308 PolarHBondContact O-N 2.95Å; E306-I308 VanDerWaalsContact C-N 3.32Å; E306-I308 PolarHBondContact O-N 3.49Å; I308-R310 VanDerWaalsContact C-N 3.26Å; I308-R310 PolarHBondContact O-N 3.02Å; I308-L311 PolarHBondContact O-N 3.15Å; I308-I312 HydrophobicContact CG2-CD1 3.66Å; I308-I312 HydrophobicContact CG2-CG1 3.89Å; I308-I312 VanDerWaalsContact O-CG1 3.3Å; I308-I312 WeakPolarHBondContact O-CG1 3.35Å; I308-I312 PolarHBondContact O-N 3.32Å; I308-L397 HydrophobicContact CD1-CD2 3.96Å; I308-R400 HydrophobicContact CD1-CB 4.07Å; I308-L404 HydrophobicContact CB-CD1 4.4Å; I308-L404 HydrophobicContact CG1-CD1 4.26Å; I308-L404 HydrophobicContact CG2-CD1 3.95Å
309	D	84.5	Confident	79.9	Confident	56 Å²	56	49.8 Å²	49.8	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-30.8	-177.6	-167.1	64.1	0	0	0	112.6	R305 E306 P313 K319	R305-D309 WeakPolarHBondContact O-CB 3.34Å; R305-D309 PolarHBondContact O-N 2.89Å; E306-D309 PolarHBondContact O-N 3.18Å; D309-P313 VanDerWaalsContact O-CD 3.23Å; D309-P313 WeakPolarHBondContact O-CD 3.49Å; D309-K319 IonicContact OD1-NZ 3.79Å; D309-K319 PolarHBondContact OD1-NZ 3.21Å
310	R	85.3	Confident	78.3	Confident	31 Å²	31	48.1 Å²	48.1	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-72.4	-29	172.4	-67.4	178.4	-166.4	-145.7	3.3	113.6	E306 K307 I308 Y354 K355 M411	E306-R310 WeakPolarHBondContact O-CG 3.15Å; E306-R310 PolarHBondContact O-N 3.35Å; E306-R310 VanDerWaalsContact O-N 3.12Å; E306-R310 IonicContact OE1-CZ 3.76Å; E306-R310 IonicContact OE1-NE 3.77Å; E306-R310 IonicContact OE1-NH2 3.35Å; E306-R310 PolarHBondContact OE1-NH2 3.11Å; K307-R310 PolarHBondContact O-N 3.3Å; I308-R310 VanDerWaalsContact C-N 3.26Å; I308-R310 PolarHBondContact O-N 3.02Å; R310-Y354 HydrophobicContact CG-CD1 4.21Å; R310-Y354 HydrophobicContact CG-CE1 4.23Å; R310-K355 PolarHBondContact NH1-O 3.42Å; R310-K355 PolarHBondContact NH2-O 2.92Å; R310-M411 HydrophobicContact CB-SD 4.16Å
311	L	84.3	Confident	76.8	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-91.6	-29.3	-177.8	-67.9	178	0	0	0	113.7	K307 I308 P313 L314 L404 L407 L408 M411	K307-L311 WeakPolarHBondContact O-CG 3.34Å; K307-L311 PolarHBondContact O-N 3.28Å; I308-L311 PolarHBondContact O-N 3.15Å; L311-P313 VanDerWaalsContact C-N 3.27Å; L311-L314 HydrophobicContact CD2-CD1 3.94Å; L311-L314 WeakPolarHBondContact O-CB 3.37Å; L311-L314 PolarHBondContact O-N 3.36Å; L311-L404 HydrophobicContact CB-CD1 4.23Å; L311-L404 HydrophobicContact CD1-CB 4.37Å; L311-L407 HydrophobicContact CD1-CB 3.97Å; L311-L407 HydrophobicContact CD2-CB 4.06Å; L311-L408 HydrophobicContact CD1-CB 4.32Å; L311-L408 HydrophobicContact CD1-CD2 3.49Å; L311-L408 VanDerWaalsContact CD1-CD2 3.49Å; L311-L408 HydrophobicContact CD1-CG 3.57Å; L311-M411 HydrophobicContact CD1-CE 4.19Å; L311-M411 HydrophobicContact CD2-CB 4.39Å; L311-M411 HydrophobicContact CD2-CE 4.49Å; L311-M411 HydrophobicContact CD2-SD 4.1Å; L311-M411 HydrophobicContact CG-CE 4.14Å; L311-M411 HydrophobicContact CG-SD 4.26Å
312	I	79.5	Confident	75.4	Confident	19 Å²	19	56.6 Å²	56.6	10%	0.097	28%	0.278	C	S	.	.	H	α-helix	trans	-46.9	-45.4	177.8	-80.2	168.9	0	0	0	112.7	I308 L314 V315 N316 K319	I308-I312 HydrophobicContact CG2-CD1 3.66Å; I308-I312 HydrophobicContact CG2-CG1 3.89Å; I308-I312 VanDerWaalsContact O-CG1 3.3Å; I308-I312 WeakPolarHBondContact O-CG1 3.35Å; I308-I312 PolarHBondContact O-N 3.32Å; I312-L314 PolarHBondContact O-N 3.47Å; I312-V315 WeakPolarHBondContact O-CG2 3.3Å; I312-V315 PolarHBondContact O-N 2.93Å; I312-V315 VanDerWaalsContact O-N 3.16Å; I312-N316 HydrophobicContact CG2-CB 4.25Å; I312-N316 PolarHBondContact O-N 3.48Å; I312-K319 HydrophobicContact CG2-CB 4.1Å; I312-K319 HydrophobicContact CG2-CD 4.45Å
313	P	75.1	Confident	74	Confident	23 Å²	23	57.7 Å²	57.7	15%	0.149	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-25.1	-178.9	-24.9	36	0	0	0	114.6	D309 L311 G320 Y323	D309-P313 VanDerWaalsContact O-CD 3.23Å; D309-P313 WeakPolarHBondContact O-CD 3.49Å; L311-P313 VanDerWaalsContact C-N 3.27Å; P313-G320 WeakPolarHBondContact CB-O 3.44Å; P313-Y323 HydrophobicContact CB-CD2 3.67Å; P313-Y323 HydrophobicContact CB-CG 3.77Å; P313-Y323 HydrophobicContact CG-CD2 3.77Å; P313-Y323 HydrophobicContact CG-CE2 4.43Å; P313-Y323 HydrophobicContact CG-CG 4.38Å
314	L	75.9	Confident	72.7	Confident	105 Å²	105	64.8 Å²	64.8	55%	0.55	32%	0.315	S	S	.	.	H	α-helix	trans	-78.1	-22.9	179.1	-59.2	173.3	0	0	0	112.7	L311 I312 Y323	L311-L314 HydrophobicContact CD2-CD1 3.94Å; L311-L314 WeakPolarHBondContact O-CB 3.37Å; L311-L314 PolarHBondContact O-N 3.36Å; I312-L314 PolarHBondContact O-N 3.47Å; L314-Y323 HydrophobicContact CD2-CD1 4.22Å; L314-Y323 HydrophobicContact CD2-CE1 4.27Å
315	V	76.4	Confident	71.5	Confident	44 Å²	44	64.2 Å²	64.2	27%	0.267	31%	0.313	S	S	.	.	H	α-helix	trans	-113.4	-32.2	-174.5	-70.3	0	0	0	0	114.3	V86 I312 L404 L407	V86-V315 HydrophobicContact CG1-CB 4.27Å; I312-V315 WeakPolarHBondContact O-CG2 3.3Å; I312-V315 PolarHBondContact O-N 2.93Å; I312-V315 VanDerWaalsContact O-N 3.16Å; V315-L404 HydrophobicContact CB-CD2 4.44Å; V315-L404 HydrophobicContact CG1-CD2 3.96Å; V315-L404 HydrophobicContact CG2-CD2 3.76Å; V315-L407 HydrophobicContact CG1-CD1 3.33Å
316	N	69.4	Low	70.6	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.043	30%	0.299	C	S	.	.			trans	-113.5	122	-168.3	-80	89.1	0	0	0	111.5	V87 V88 I312 G318 R400	V87-N316 PolarHBondContact O-ND2 2.84Å; V88-N316 WeakPolarHBondContact CA-ND2 3.45Å; V88-N316 PolarHBondContact O-ND2 3.23Å; I312-N316 HydrophobicContact CG2-CB 4.25Å; I312-N316 PolarHBondContact O-N 3.48Å; N316-G318 PolarHBondContact O-N 3.35Å; N316-G318 VanDerWaalsContact O-N 3.11Å; N316-R400 PolarHBondContact ND2-NH2 2.99Å; N316-R400 PolarHBondContact OD1-NH2 3.06Å
317	N	62.2	Low	69.7	Low	94 Å²	94	66.4 Å²	66.4	50%	0.503	33%	0.325	S	S	.	.	S	Bend	trans	-68.2	106.9	171.7	-74.6	-30.3	0	0	0	111.6	V88	V88-N317 HydrophobicContact CG1-CB 4.03Å
318	G	56.6	Low	68.8	Low	40 Å²	40	73.3 Å²	73.3	41%	0.412	35%	0.351	S	S	.	.	S	Bend	trans	146	-59.2	167.1	0	0	0	0	0	113.9	N316 G320	N316-G318 PolarHBondContact O-N 3.35Å; N316-G318 VanDerWaalsContact O-N 3.11Å; G318-G320 PolarHBondContact O-N 3.02Å
319	K	52.8	Low	68.3	Low	133 Å²	133	76 Å²	76	58%	0.578	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	110.6	177.5	-144.7	-152.7	-179.6	-158.7	0	107.8	D309 I312 R321	D309-K319 IonicContact OD1-NZ 3.79Å; D309-K319 PolarHBondContact OD1-NZ 3.21Å; I312-K319 HydrophobicContact CG2-CB 4.1Å; I312-K319 HydrophobicContact CG2-CD 4.45Å; K319-R321 VanDerWaalsContact C-N 3.27Å; K319-R321 PolarHBondContact O-N 2.88Å
320	G	53.3	Low	68	Low	30 Å²	30	81.3 Å²	81.3	31%	0.309	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	26.3	-172.6	0	0	0	0	0	113.2	P313 G318 R322 Y323	P313-G320 WeakPolarHBondContact CB-O 3.44Å; G318-G320 PolarHBondContact O-N 3.02Å; G320-R322 CarbonylContact O-C 3.59Å; G320-R322 PolarHBondContact O-N 3.43Å; G320-Y323 WeakPolarHBondContact O-CB 3.32Å; G320-Y323 PolarHBondContact O-N 3.48Å
321	R	52.7	Low	67.7	Low	173 Å²	173	81.9 Å²	81.9	65%	0.653	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-14.5	159.5	-134.7	-154.5	-60.8	-134.3	10.2	112	K319	K319-R321 VanDerWaalsContact C-N 3.27Å; K319-R321 PolarHBondContact O-N 2.88Å
322	R	55.9	Low	67.3	Low	134 Å²	134	88.5 Å²	88.5	51%	0.506	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	30.1	169.5	-71.1	-163.6	-174.9	-177.2	1.1	113.2	G320 M324 S325 E326 W328	G320-R322 CarbonylContact O-C 3.59Å; G320-R322 PolarHBondContact O-N 3.43Å; R322-M324 PolarHBondContact O-N 2.77Å; R322-S325 VanDerWaalsContact CA-OG 3.32Å; R322-S325 WeakPolarHBondContact CA-OG 3.42Å; R322-S325 WeakPolarHBondContact CB-OG 3.44Å; R322-S325 WeakPolarHBondContact CD-OG 3.22Å; R322-S325 WeakPolarHBondContact CG-OG 3.5Å; R322-S325 CarbonylContact O-C 3.51Å; R322-S325 VanDerWaalsContact O-C 3.26Å; R322-S325 WeakPolarHBondContact O-CA 3.19Å; R322-S325 VanDerWaalsContact O-CB 3.27Å; R322-S325 WeakPolarHBondContact O-CB 3.27Å; R322-S325 PolarHBondContact O-N 3.44Å; R322-E326 PolarHBondContact O-N 2.94Å; R322-W328 PolarHBondContact NH1-O 3.35Å
323	Y	58.8	Low	67.1	Low	90 Å²	90	93.7 Å²	93.7	35%	0.353	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	132	171	-168.1	-113.8	0	0	0	107.9	P313 L314 G320 S325	P313-Y323 HydrophobicContact CB-CD2 3.67Å; P313-Y323 HydrophobicContact CB-CG 3.77Å; P313-Y323 HydrophobicContact CG-CD2 3.77Å; P313-Y323 HydrophobicContact CG-CE2 4.43Å; P313-Y323 HydrophobicContact CG-CG 4.38Å; L314-Y323 HydrophobicContact CD2-CD1 4.22Å; L314-Y323 HydrophobicContact CD2-CE1 4.27Å; G320-Y323 WeakPolarHBondContact O-CB 3.32Å; G320-Y323 PolarHBondContact O-N 3.48Å; Y323-S325 PolarHBondContact O-N 3.32Å
324	M	60.9	Low	66.9	Low	164 Å²	164	97.3 Å²	97.3	81%	0.808	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	12	-166.9	-50.5	-179.6	61.9	0	0	114.6	R322 E326	R322-M324 PolarHBondContact O-N 2.77Å; M324-E326 WeakPolarHBondContact CA-OE2 3.36Å; M324-E326 PolarHBondContact N-OE1 3.08Å; M324-E326 PolarHBondContact N-OE2 3.34Å
325	S	63.1	Low	66.3	Low	26 Å²	26	102.9 Å²	102.9	18%	0.182	48%	0.477	C	S	.	.			trans	-124.5	20.9	178.4	137.2	0	0	0	0	110.6	R322 Y323 F327 W328	R322-S325 VanDerWaalsContact CA-OG 3.32Å; R322-S325 WeakPolarHBondContact CA-OG 3.42Å; R322-S325 WeakPolarHBondContact CB-OG 3.44Å; R322-S325 WeakPolarHBondContact CD-OG 3.22Å; R322-S325 WeakPolarHBondContact CG-OG 3.5Å; R322-S325 CarbonylContact O-C 3.51Å; R322-S325 VanDerWaalsContact O-C 3.26Å; R322-S325 WeakPolarHBondContact O-CA 3.19Å; R322-S325 VanDerWaalsContact O-CB 3.27Å; R322-S325 WeakPolarHBondContact O-CB 3.27Å; R322-S325 PolarHBondContact O-N 3.44Å; Y323-S325 PolarHBondContact O-N 3.32Å; S325-F327 PolarHBondContact O-N 3.46Å; S325-F327 VanDerWaalsContact O-N 3.11Å; S325-W328 PolarHBondContact O-N 2.88Å
326	E	70.9	Confident	65.3	Low	25 Å²	25	106 Å²	106	12%	0.117	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-57.7	-19.9	169.9	-62.3	86.7	177.7	0	0	112	R322 M324 W328 N329 E350	R322-E326 PolarHBondContact O-N 2.94Å; M324-E326 WeakPolarHBondContact CA-OE2 3.36Å; M324-E326 PolarHBondContact N-OE1 3.08Å; M324-E326 PolarHBondContact N-OE2 3.34Å; E326-W328 PolarHBondContact O-N 3.32Å; E326-W328 VanDerWaalsContact O-N 3.12Å; E326-N329 VanDerWaalsContact O-CB 3.32Å; E326-N329 WeakPolarHBondContact O-CB 3.41Å; E326-N329 PolarHBondContact O-N 2.78Å; E326-E350 WeakPolarHBondContact CB-O 3.06Å
327	F	70.4	Confident	64.7	Low	165 Å²	165	110.5 Å²	110.5	72%	0.724	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-47.8	-33.5	166.4	-180	-98	0	0	0	113.6	S325	S325-F327 PolarHBondContact O-N 3.46Å; S325-F327 VanDerWaalsContact O-N 3.11Å
328	W	70.5	Confident	64.6	Low	166 Å²	166	115 Å²	115	63%	0.629	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-95.5	4.2	-179.1	-57.8	110.2	0	0	0	114.1	R322 S325 E326	R322-W328 PolarHBondContact NH1-O 3.35Å; S325-W328 PolarHBondContact O-N 2.88Å; E326-W328 PolarHBondContact O-N 3.32Å; E326-W328 VanDerWaalsContact O-N 3.12Å
329	N	75.5	Confident	64.6	Low	63 Å²	63	115.1 Å²	115.1	34%	0.337	54%	0.543	S	S	.	.			trans	-72.3	135.4	173.4	-70.4	-19.6	0	0	0	108.9	E326 M346 E350	E326-N329 VanDerWaalsContact O-CB 3.32Å; E326-N329 WeakPolarHBondContact O-CB 3.41Å; E326-N329 PolarHBondContact O-N 2.78Å; N329-M346 HydrophobicContact CB-CE 3.44Å; N329-M346 VanDerWaalsContact CB-CE 3.44Å; N329-M346 HydrophobicContact CB-SD 4.41Å; N329-E350 PolarHBondContact ND2-O 3.49Å
330	Q	77.5	Confident	64.8	Low	168 Å²	168	112.3 Å²	112.3	79%	0.785	54%	0.54	S	S	*	.			trans	-111.5	146.8	179.6	-67.7	-177.9	0.6	0	0	109.5
331	P	79.3	Confident	65.5	Low	43 Å²	43	117.2 Å²	117.2	28%	0.279	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-61.4	143.3	174.4	27.3	-34.4	0	0	0	110.4	Y333 C343 T344	P331-Y333 HydrophobicContact CG-CE2 4.24Å; P331-Y333 WeakPolarHBondContact O-CD2 3.35Å; P331-C343 HydrophobicContact CB-CB 4.32Å; P331-T344 WeakPolarHBondContact CB-O 3.31Å
332	E	76.3	Confident	66.3	Low	146 Å²	146	114.5 Å²	114.5	68%	0.682	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-79.7	127.5	177	-170.6	175	-178.3	0	0	109.2	C343 T344	E332-C343 WeakPolarHBondContact O-CA 3.32Å; E332-T344 HydrophobicContact CB-CG2 4.47Å; E332-T344 PolarHBondContact N-OG1 2.69Å; E332-T344 VanDerWaalsContact N-OG1 3.15Å; E332-T344 PolarHBondContact O-N 2.96Å; E332-T344 PolarHBondContact O-OG1 3.47Å
333	Y	74.8	Confident	67.3	Low	128 Å²	128	111.3 Å²	111.3	50%	0.502	55%	0.554	S	S	.	*	B	Isolated β-bridge	trans	-90.4	119.5	176.1	-70.3	-94.2	0	0	0	109.2	P331 R335 S340 C343	P331-Y333 HydrophobicContact CG-CE2 4.24Å; P331-Y333 WeakPolarHBondContact O-CD2 3.35Å; Y333-R335 VanDerWaalsContact C-N 3.3Å; Y333-R335 PolarHBondContact O-N 3.2Å; Y333-S340 WeakPolarHBondContact CD1-O 3.5Å; Y333-C343 HydrophobicContact CD1-CB 3.69Å; Y333-C343 HydrophobicContact CE1-CB 3.62Å; Y333-C343 HydrophobicContact CG-CB 4.23Å
334	I	72.7	Confident	68.3	Low	99 Å²	99	109.6 Å²	109.6	51%	0.508	55%	0.553	S	S	.	*			trans	-75.9	91	176	-56	175	0	0	0	106.2	N336 L342 T344	I334-N336 PolarHBondContact O-N 3.05Å; I334-N336 VanDerWaalsContact O-N 3.09Å; I334-L342 HydrophobicContact CB-CB 4.33Å; I334-L342 HydrophobicContact CD1-CD2 4.46Å; I334-L342 PolarHBondContact N-O 2.95Å; I334-T344 HydrophobicContact CD1-CG2 4.2Å; I334-T344 HydrophobicContact CG1-CG2 4.26Å
335	R	62.6	Low	69.2	Low	221 Å²	221	107.8 Å²	107.8	83%	0.834	55%	0.551	S	S	*	*			trans	-63.8	111.8	-178.1	-176	-179.3	-77.3	-159	-4.3	109.5	Y333	Y333-R335 VanDerWaalsContact C-N 3.3Å; Y333-R335 PolarHBondContact O-N 3.2Å
336	N	55	Low	70.1	Confident	111 Å²	111	108.3 Å²	108.3	59%	0.594	55%	0.551	S	S	*	*			trans	-91.9	153.7	155.3	-158.6	-1.1	0	0	0	108.1	I334 E338 S339	I334-N336 PolarHBondContact O-N 3.05Å; I334-N336 VanDerWaalsContact O-N 3.09Å; N336-E338 PolarHBondContact O-N 3.22Å; N336-S339 PolarHBondContact N-O 3.26Å; N336-S339 PolarHBondContact O-N 3.03Å
337	A	57.9	Low	70.6	Confident	101 Å²	101	110.8 Å²	110.8	84%	0.835	57%	0.568	S	S	*	*	S	Bend	trans	-56.2	-23.7	-174.7	0	0	0	0	0	113.5
338	E	59	Low	71.1	Confident	188 Å²	188	108.2 Å²	108.2	88%	0.879	56%	0.56	S	S	*	*	S	Bend	trans	-116.1	-11.5	-172.1	-59.8	-174	169	0	0	114.2	N336	N336-E338 PolarHBondContact O-N 3.22Å
339	S	56.7	Low	71.6	Confident	44 Å²	44	104 Å²	104	31%	0.308	55%	0.546	S	S	.	.			trans	-152.3	144.8	179.7	68.8	0	0	0	0	114.3	N336 D341	N336-S339 PolarHBondContact N-O 3.26Å; N336-S339 PolarHBondContact O-N 3.03Å; S339-D341 VanDerWaalsContact CB-OD2 3.32Å; S339-D341 WeakPolarHBondContact CB-OD2 3.15Å
340	S	58	Low	71.7	Confident	74 Å²	74	105.3 Å²	105.3	52%	0.517	55%	0.55	S	S	.	*			trans	-102.2	28.6	172.7	-61.7	0	0	0	0	111.3	Y333	Y333-S340 WeakPolarHBondContact CD1-O 3.5Å
341	D	66.6	Low	71.8	Confident	133 Å²	133	102.6 Å²	102.6	71%	0.711	54%	0.536	S	S	*	.			trans	-82.4	-22.4	-166.5	-57.3	-16	0	0	0	112.9	S339	S339-D341 VanDerWaalsContact CB-OD2 3.32Å; S339-D341 WeakPolarHBondContact CB-OD2 3.15Å
342	L	70.9	Confident	71.7	Confident	116 Å²	116	101.9 Å²	101.9	61%	0.607	54%	0.536	S	S	*	.			trans	-94.4	114.7	175.3	-103.3	85.9	0	0	0	111	I334	I334-L342 HydrophobicContact CB-CB 4.33Å; I334-L342 HydrophobicContact CD1-CD2 4.46Å; I334-L342 PolarHBondContact N-O 2.95Å
343	C	76	Confident	71.9	Confident	67 Å²	67	99.5 Å²	99.5	45%	0.453	53%	0.527	S	S	.	.	B	Isolated β-bridge	trans	-114.8	149.7	167.3	66	0	0	0	0	111.2	P331 E332 Y333	P331-C343 HydrophobicContact CB-CB 4.32Å; E332-C343 WeakPolarHBondContact O-CA 3.32Å; Y333-C343 HydrophobicContact CD1-CB 3.69Å; Y333-C343 HydrophobicContact CE1-CB 3.62Å; Y333-C343 HydrophobicContact CG-CB 4.23Å
344	T	79	Confident	72.3	Confident	53 Å²	53	96.5 Å²	96.5	33%	0.325	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-78.2	146.2	173.2	60.8	0	0	0	0	110.6	P331 E332 I334	P331-T344 WeakPolarHBondContact CB-O 3.31Å; E332-T344 HydrophobicContact CB-CG2 4.47Å; E332-T344 PolarHBondContact N-OG1 2.69Å; E332-T344 VanDerWaalsContact N-OG1 3.15Å; E332-T344 PolarHBondContact O-N 2.96Å; E332-T344 PolarHBondContact O-OG1 3.47Å; I334-T344 HydrophobicContact CD1-CG2 4.2Å; I334-T344 HydrophobicContact CG1-CG2 4.26Å
345	T	80.3	Confident	72.8	Confident	126 Å²	126	99 Å²	99	77%	0.773	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-84.8	131.1	170.7	-46.5	0	0	0	0	109.5	T347	T345-T347 PolarHBondContact O-N 2.89Å
346	M	81.6	Confident	73.8	Confident	37 Å²	37	93.5 Å²	93.5	18%	0.182	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-66.6	132.1	176	-68.6	172.5	64.1	0	0	111.5	N329 E350 K351	N329-M346 HydrophobicContact CB-CE 3.44Å; N329-M346 VanDerWaalsContact CB-CE 3.44Å; N329-M346 HydrophobicContact CB-SD 4.41Å; M346-E350 VanDerWaalsContact CA-OE2 3.3Å; M346-E350 WeakPolarHBondContact CA-OE2 3.08Å; M346-E350 HydrophobicContact CB-CB 4.13Å; M346-E350 HydrophobicContact CE-CB 3.91Å; M346-E350 WeakPolarHBondContact CE-O 3.37Å; M346-E350 HydrophobicContact CG-CB 4.47Å; M346-K351 HydrophobicContact CB-CG 4.04Å; M346-K351 HydrophobicContact CE-CG 4.04Å; M346-K351 WeakPolarHBondContact O-CE 3.49Å
347	T	81.6	Confident	75.3	Confident	77 Å²	77	90 Å²	90	47%	0.472	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-66.6	159.9	170.7	65	0	0	0	0	111.2	T345 K349 E350 K351	T345-T347 PolarHBondContact O-N 2.89Å; T347-K349 PolarHBondContact O-N 3.44Å; T347-E350 PolarHBondContact N-OE2 3.1Å; T347-E350 PolarHBondContact O-N 3.23Å; T347-E350 VanDerWaalsContact OG1-CG 3.3Å; T347-E350 WeakPolarHBondContact OG1-CG 3.38Å; T347-E350 PolarHBondContact OG1-N 2.84Å; T347-E350 PolarHBondContact OG1-OE2 3.35Å; T347-K351 PolarHBondContact O-N 3.44Å; T347-K351 VanDerWaalsContact O-N 3.12Å
348	M	82.3	Confident	76.7	Confident	111 Å²	111	90.4 Å²	90.4	55%	0.547	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-38.7	176.3	-66.4	-57.6	-131.7	0	0	112.2	E350 K351 G352 I353	M348-E350 PolarHBondContact O-N 2.75Å; M348-K351 CarbonylContact O-C 3.51Å; M348-K351 WeakPolarHBondContact O-CB 3.37Å; M348-K351 PolarHBondContact O-N 3.49Å; M348-K351 VanDerWaalsContact O-N 3.17Å; M348-G352 PolarHBondContact O-N 3.17Å; M348-I353 CarbonylContact C-O 3.57Å; M348-I353 HydrophobicContact CB-CB 4.28Å; M348-I353 CarbonylContact O-C 3.6Å; M348-I353 WeakPolarHBondContact O-CA 3.24Å; M348-I353 WeakPolarHBondContact O-CB 3.4Å; M348-I353 PolarHBondContact O-N 2.63Å; M348-I353 VanDerWaalsContact O-O 3.11Å; M348-I353 HydrophobicContact SD-CD1 4.41Å
349	K	79.2	Confident	78	Confident	78 Å²	78	83.9 Å²	83.9	34%	0.339	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-63.3	-41.5	176.8	-66.4	-173.2	175.8	-170.9	0	111.8	E306 T347 K351 G352 I353 Y354	E306-K349 WeakPolarHBondContact OE1-CE 3.02Å; E306-K349 IonicContact OE1-NZ 2.63Å; E306-K349 PolarHBondContact OE1-NZ 3.5Å; E306-K349 IonicContact OE2-NZ 2.8Å; E306-K349 PolarHBondContact OE2-NZ 3.16Å; T347-K349 PolarHBondContact O-N 3.44Å; K349-K351 PolarHBondContact O-N 3.2Å; K349-G352 PolarHBondContact O-N 3.3Å; K349-I353 PolarHBondContact N-O 3.03Å; K349-Y354 HydrophobicContact CB-CE1 4.35Å; K349-Y354 HydrophobicContact CG-CD1 4.21Å; K349-Y354 HydrophobicContact CG-CE1 4.33Å
350	E	78.8	Confident	79.4	Confident	90 Å²	90	86.3 Å²	86.3	42%	0.421	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-68.8	-21	176.9	-72.4	164.2	158.3	0	0	113.3	E326 N329 M346 T347 M348 G352	E326-E350 WeakPolarHBondContact CB-O 3.06Å; N329-E350 PolarHBondContact ND2-O 3.49Å; M346-E350 VanDerWaalsContact CA-OE2 3.3Å; M346-E350 WeakPolarHBondContact CA-OE2 3.08Å; M346-E350 HydrophobicContact CB-CB 4.13Å; M346-E350 HydrophobicContact CE-CB 3.91Å; M346-E350 WeakPolarHBondContact CE-O 3.37Å; M346-E350 HydrophobicContact CG-CB 4.47Å; T347-E350 PolarHBondContact N-OE2 3.1Å; T347-E350 PolarHBondContact O-N 3.23Å; T347-E350 VanDerWaalsContact OG1-CG 3.3Å; T347-E350 WeakPolarHBondContact OG1-CG 3.38Å; T347-E350 PolarHBondContact OG1-N 2.84Å; T347-E350 PolarHBondContact OG1-OE2 3.35Å; M348-E350 PolarHBondContact O-N 2.75Å; E350-G352 VanDerWaalsContact C-N 3.29Å
351	K	79.2	Confident	80.7	Confident	112 Å²	112	87.2 Å²	87.2	49%	0.487	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-85.9	2.8	170.9	-63.2	179.7	179.8	-177.2	0	113.1	M346 T347 M348 K349 I353	M346-K351 HydrophobicContact CB-CG 4.04Å; M346-K351 HydrophobicContact CE-CG 4.04Å; M346-K351 WeakPolarHBondContact O-CE 3.49Å; T347-K351 PolarHBondContact O-N 3.44Å; T347-K351 VanDerWaalsContact O-N 3.12Å; M348-K351 CarbonylContact O-C 3.51Å; M348-K351 WeakPolarHBondContact O-CB 3.37Å; M348-K351 PolarHBondContact O-N 3.49Å; M348-K351 VanDerWaalsContact O-N 3.17Å; K349-K351 PolarHBondContact O-N 3.2Å; K351-I353 VanDerWaalsContact C-N 3.31Å
352	G	76.5	Confident	81.5	Confident	27 Å²	27	81.8 Å²	81.8	28%	0.278	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	6.8	-177.5	0	0	0	0	0	114.4	M348 K349 E350	M348-G352 PolarHBondContact O-N 3.17Å; K349-G352 PolarHBondContact O-N 3.3Å; E350-G352 VanDerWaalsContact C-N 3.29Å
353	I	80.9	Confident	82.3	Confident	97 Å²	97	77 Å²	77	50%	0.497	40%	0.401	S	S	.	.			trans	-95.8	100.4	178.7	-55.3	174.8	0	0	0	108.8	M348 K349 K351	M348-I353 CarbonylContact C-O 3.57Å; M348-I353 HydrophobicContact CB-CB 4.28Å; M348-I353 CarbonylContact O-C 3.6Å; M348-I353 WeakPolarHBondContact O-CA 3.24Å; M348-I353 WeakPolarHBondContact O-CB 3.4Å; M348-I353 PolarHBondContact O-N 2.63Å; M348-I353 VanDerWaalsContact O-O 3.11Å; M348-I353 HydrophobicContact SD-CD1 4.41Å; K349-I353 PolarHBondContact N-O 3.03Å; K351-I353 VanDerWaalsContact C-N 3.31Å
354	Y	82.7	Confident	82.8	Confident	64 Å²	64	78.4 Å²	78.4	25%	0.251	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-92.9	134.8	176.1	-67.2	-90.3	0	0	0	110.8	R310 K349	R310-Y354 HydrophobicContact CG-CD1 4.21Å; R310-Y354 HydrophobicContact CG-CE1 4.23Å; K349-Y354 HydrophobicContact CB-CE1 4.35Å; K349-Y354 HydrophobicContact CG-CD1 4.21Å; K349-Y354 HydrophobicContact CG-CE1 4.33Å
355	K	83.2	Confident	83.1	Confident	152 Å²	152	80 Å²	80	66%	0.661	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-65.4	150.4	168.6	-65.3	-172.9	176.4	-172.2	0	109.8	R310	R310-K355 PolarHBondContact NH1-O 3.42Å; R310-K355 PolarHBondContact NH2-O 2.92Å
356	P	85.1	Confident	83.4	Confident	105 Å²	105	76.9 Å²	76.9	68%	0.682	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-51.5	150	168.2	-26.5	36	0	0	0	111.5	E358	P356-E358 PolarHBondContact O-N 3.25Å
357	I	87	Confident	83.7	Confident	38 Å²	38	76.3 Å²	76.3	20%	0.195	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-74.6	117.8	176.1	-61.9	-179	0	0	0	107.5	L303 K307 F359 M411 V412	L303-I357 HydrophobicContact CD1-CG2 3.57Å; K307-I357 HydrophobicContact CG-CD1 4.48Å; I357-F359 HydrophobicContact CG2-CE2 3.93Å; I357-F359 HydrophobicContact CG2-CZ 3.88Å; I357-M411 HydrophobicContact CD1-CE 4Å; I357-M411 HydrophobicContact CD1-CG 4.45Å; I357-M411 HydrophobicContact CD1-SD 4.13Å; I357-V412 HydrophobicContact CD1-CG2 4.19Å
358	E	87	Confident	83.9	Confident	110 Å²	110	75.9 Å²	75.9	51%	0.514	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-99	144.6	176.1	-70.4	170.8	-172.6	0	0	109.8	Y299 L303 P356 I360	Y299-E358 VanDerWaalsContact OH-C 3.31Å; Y299-E358 VanDerWaalsContact OH-CB 3.3Å; Y299-E358 WeakPolarHBondContact OH-CB 3.41Å; Y299-E358 PolarHBondContact OH-O 3.43Å; L303-E358 VanDerWaalsContact CD1-O 3.27Å; L303-E358 WeakPolarHBondContact CD1-O 3.45Å; P356-E358 PolarHBondContact O-N 3.25Å; E358-I360 HydrophobicContact CB-CG1 4.46Å
359	F	86.6	Confident	84.1	Confident	50 Å²	50	74 Å²	74	22%	0.219	37%	0.368	C	S	.	.			trans	-111.5	94.1	178	-65	-92.4	0	0	0	108.5	L303 I357 V412 E415 P416 M418	L303-F359 HydrophobicContact CD2-CD1 3.9Å; L303-F359 HydrophobicContact CD2-CE1 4.2Å; I357-F359 HydrophobicContact CG2-CE2 3.93Å; I357-F359 HydrophobicContact CG2-CZ 3.88Å; F359-V412 HydrophobicContact CE1-CG1 4.24Å; F359-V412 HydrophobicContact CZ-CG1 3.6Å; F359-V412 HydrophobicContact CZ-CG2 4.23Å; F359-E415 HydrophobicContact CD1-CG 3.85Å; F359-E415 HydrophobicContact CE1-CB 4.43Å; F359-E415 HydrophobicContact CE1-CG 3.71Å; F359-P416 HydrophobicContact CB-CG 3.62Å; F359-P416 HydrophobicContact CD1-CG 4.1Å; F359-P416 HydrophobicContact CD2-CG 3.77Å; F359-P416 HydrophobicContact CE2-CG 4.48Å; F359-P416 HydrophobicContact CG-CG 3.55Å; F359-M418 WeakPolarHBondContact O-CE 3.29Å
360	I	84.7	Confident	84.5	Confident	95 Å²	95	72 Å²	72	49%	0.487	36%	0.359	S	S	.	.			trans	-105.2	121.1	178.9	-53.7	179.7	0	0	0	108.3	Y299 E358	Y299-I360 HydrophobicContact CD1-CB 3.71Å; Y299-I360 WeakPolarHBondContact CD1-O 3.41Å; Y299-I360 HydrophobicContact CD2-CB 4.13Å; Y299-I360 HydrophobicContact CD2-CD1 4.23Å; Y299-I360 HydrophobicContact CE1-CB 3.55Å; Y299-I360 HydrophobicContact CE1-CD1 4.5Å; Y299-I360 HydrophobicContact CE1-CG1 3.94Å; Y299-I360 VanDerWaalsContact CE1-N 3.28Å; Y299-I360 HydrophobicContact CE2-CB 3.97Å; Y299-I360 HydrophobicContact CE2-CD1 3.57Å; Y299-I360 HydrophobicContact CE2-CG1 3.93Å; Y299-I360 HydrophobicContact CG-CB 3.98Å; E358-I360 HydrophobicContact CB-CG1 4.46Å
361	K	84.8	Confident	84.7	Confident	93 Å²	93	68.7 Å²	68.7	40%	0.404	35%	0.349	S	S	.	.			trans	-146	149.8	176.2	-163.7	174.8	-175.6	-178.1	0	109.9	P363 M418 D419	K361-P363 WeakPolarHBondContact O-CD 3.24Å; K361-M418 HydrophobicContact CB-CB 3.79Å; K361-M418 HydrophobicContact CB-CG 4.31Å; K361-M418 HydrophobicContact CD-CB 4.22Å; K361-D419 WeakPolarHBondContact CD-OD1 3.49Å; K361-D419 WeakPolarHBondContact CE-OD1 3.39Å; K361-D419 IonicContact NZ-OD1 2.77Å; K361-D419 PolarHBondContact NZ-OD1 3.35Å; K361-D419 IonicContact NZ-OD2 2.75Å
362	C	84.4	Confident	84.8	Confident	20 Å²	20	63.9 Å²	63.9	14%	0.135	33%	0.329	C	S	.	.			trans	-80.2	119.2	169.2	-165.6	0	0	0	0	108.7	E367	C362-E367 HydrophobicContact CB-CG 4.12Å
363	P	87.9	Confident	84.8	Confident	16 Å²	16	65.7 Å²	65.7	10%	0.104	33%	0.331	C	S	.	.			trans	-63.7	151.7	174.7	-21.3	33.2	0	0	0	112	K361 V365 I366 E367 L421	K361-P363 WeakPolarHBondContact O-CD 3.24Å; P363-V365 PolarHBondContact O-N 3.33Å; P363-V365 VanDerWaalsContact O-N 3.17Å; P363-I366 HydrophobicContact CG-CD1 4.41Å; P363-I366 PolarHBondContact O-N 3.42Å; P363-E367 PolarHBondContact O-N 2.82Å; P363-E367 VanDerWaalsContact O-N 3.09Å; P363-L421 WeakPolarHBondContact CB-O 3.29Å; P363-L421 HydrophobicContact CG-CB 4.45Å; P363-L421 WeakPolarHBondContact CG-O 3.41Å
364	K	85.5	Confident	84.2	Confident	96 Å²	96	64.9 Å²	64.9	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-34.1	-176.2	-72.6	176.2	-178.8	155.4	0	113.2	I366 E367 I368 D419	K364-I366 VanDerWaalsContact C-N 3.28Å; K364-I366 PolarHBondContact O-N 2.86Å; K364-E367 PolarHBondContact O-N 3.23Å; K364-I368 VanDerWaalsContact O-CG1 3.27Å; K364-I368 WeakPolarHBondContact O-CG1 3.47Å; K364-I368 PolarHBondContact O-N 3.47Å; K364-D419 HydrophobicContact CD-CB 4.15Å; K364-D419 WeakPolarHBondContact CE-OD2 3.21Å; K364-D419 HydrophobicContact CG-CB 4.23Å; K364-D419 PolarHBondContact N-O 2.98Å; K364-D419 IonicContact NZ-OD2 3.41Å; K364-D419 PolarHBondContact NZ-OD2 3.3Å; K364-D419 VanDerWaalsContact NZ-OD2 3.16Å
365	V	85.4	Confident	83	Confident	86 Å²	86	66.4 Å²	66.4	52%	0.521	35%	0.354	S	S	.	.	H	α-helix	trans	-58.8	-42.7	177	179.5	0	0	0	0	110.8	P363 I368 E369 A422	P363-V365 PolarHBondContact O-N 3.33Å; P363-V365 VanDerWaalsContact O-N 3.17Å; V365-I368 PolarHBondContact O-N 3.39Å; V365-E369 WeakPolarHBondContact O-CB 3.25Å; V365-E369 PolarHBondContact O-N 2.94Å; V365-A422 HydrophobicContact CG2-CB 4.26Å
366	I	87	Confident	81.5	Confident	61 Å²	61	67.2 Å²	67.2	31%	0.313	36%	0.361	S	S	.	.	H	α-helix	trans	-75.1	-34.5	179	-57.1	-174.7	0	0	0	110.5	P363 K364 I368 E369 K370	P363-I366 HydrophobicContact CG-CD1 4.41Å; P363-I366 PolarHBondContact O-N 3.42Å; K364-I366 VanDerWaalsContact C-N 3.28Å; K364-I366 PolarHBondContact O-N 2.86Å; I366-I368 VanDerWaalsContact C-N 3.32Å; I366-I368 PolarHBondContact O-N 2.77Å; I366-E369 CarbonylContact O-C 3.45Å; I366-E369 PolarHBondContact O-N 2.9Å; I366-K370 HydrophobicContact CG2-CD 4.19Å; I366-K370 HydrophobicContact CG2-CG 4.31Å; I366-K370 WeakPolarHBondContact O-CB 3.43Å; I366-K370 WeakPolarHBondContact O-CG 3.42Å; I366-K370 PolarHBondContact O-N 2.98Å
367	E	87.7	Confident	79.5	Confident	25 Å²	25	66.1 Å²	66.1	12%	0.117	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-39.5	173.8	-65.3	-179.6	140.9	0	0	112.3	C362 P363 K364 G371 I372 I373	C362-E367 HydrophobicContact CB-CG 4.12Å; P363-E367 PolarHBondContact O-N 2.82Å; P363-E367 VanDerWaalsContact O-N 3.09Å; K364-E367 PolarHBondContact O-N 3.23Å; E367-G371 PolarHBondContact O-N 3.41Å; E367-I372 HydrophobicContact CB-CB 4.45Å; E367-I372 PolarHBondContact O-N 2.91Å; E367-I373 HydrophobicContact CB-CD1 4.01Å; E367-I373 HydrophobicContact CB-CG1 4.14Å; E367-I373 WeakPolarHBondContact OE2-CD1 3.14Å
368	I	85.3	Confident	77.3	Confident	67 Å²	67	70.7 Å²	70.7	34%	0.344	38%	0.379	S	S	.	.	H	α-helix	trans	-67.3	-43.7	171.8	-65.5	163.4	0	0	0	110.2	K273 K364 V365 I366 K370 G371 S375	K273-I368 PolarHBondContact NZ-O 3.12Å; K364-I368 VanDerWaalsContact O-CG1 3.27Å; K364-I368 WeakPolarHBondContact O-CG1 3.47Å; K364-I368 PolarHBondContact O-N 3.47Å; V365-I368 PolarHBondContact O-N 3.39Å; I366-I368 VanDerWaalsContact C-N 3.32Å; I366-I368 PolarHBondContact O-N 2.77Å; I368-K370 VanDerWaalsContact C-N 3.28Å; I368-K370 PolarHBondContact O-N 3.38Å; I368-G371 PolarHBondContact O-N 2.86Å; I368-G371 VanDerWaalsContact O-N 3.07Å; I368-S375 VanDerWaalsContact CG2-OG 3.31Å; I368-S375 WeakPolarHBondContact CG2-OG 3.36Å
369	E	88.4	Confident	75.3	Confident	72 Å²	72	71.4 Å²	71.4	34%	0.336	39%	0.387	S	S	.	.	H	α-helix	trans	-60.2	-38.2	176.8	-167.4	-171.9	173.4	0	0	111.8	W265 I269 K273 V365 I366	W265-E369 PolarHBondContact NE1-OE1 3.17Å; I269-E369 HydrophobicContact CG2-CG 4.38Å; I269-E369 WeakPolarHBondContact CG2-O 3.41Å; K273-E369 WeakPolarHBondContact CE-O 3.25Å; K273-E369 PolarHBondContact NZ-O 2.78Å; V365-E369 WeakPolarHBondContact O-CB 3.25Å; V365-E369 PolarHBondContact O-N 2.94Å; I366-E369 CarbonylContact O-C 3.45Å; I366-E369 PolarHBondContact O-N 2.9Å
370	K	86.7	Confident	73.2	Confident	36 Å²	36	76.2 Å²	76.2	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-76.4	-19.5	175.1	-73.4	175.3	173.3	179.9	0	113.5	I269 K273 Q276 E296 I366 I368 I372	I269-K370 HydrophobicContact CD1-CG 4.22Å; K273-K370 VanDerWaalsContact CE-C 3.49Å; Q276-K370 PolarHBondContact OE1-O 3.23Å; E296-K370 IonicContact OE1-NZ 3.68Å; E296-K370 PolarHBondContact OE1-NZ 3.08Å; E296-K370 IonicContact OE2-NZ 3.95Å; E296-K370 PolarHBondContact OE2-NZ 3.34Å; I366-K370 HydrophobicContact CG2-CD 4.19Å; I366-K370 HydrophobicContact CG2-CG 4.31Å; I366-K370 WeakPolarHBondContact O-CB 3.43Å; I366-K370 WeakPolarHBondContact O-CG 3.42Å; I366-K370 PolarHBondContact O-N 2.98Å; I368-K370 VanDerWaalsContact C-N 3.28Å; I368-K370 PolarHBondContact O-N 3.38Å; K370-I372 HydrophobicContact CB-CD1 3.83Å; K370-I372 HydrophobicContact CB-CG1 4.01Å; K370-I372 HydrophobicContact CD-CD1 3.67Å; K370-I372 HydrophobicContact CG-CD1 4.44Å
371	G	82.1	Confident	71.1	Confident	21 Å²	21	76.8 Å²	76.8	22%	0.216	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	22.7	-176.5	0	0	0	0	0	114.1	Q276 E367 I368	Q276-G371 PolarHBondContact NE2-O 3.35Å; Q276-G371 PolarHBondContact OE1-O 2.86Å; E367-G371 PolarHBondContact O-N 3.41Å; I368-G371 PolarHBondContact O-N 2.86Å; I368-G371 VanDerWaalsContact O-N 3.07Å
372	I	81.5	Confident	69.1	Low	11 Å²	11	76.6 Å²	76.6	6%	0.056	43%	0.434	C	S	.	.	S	Bend	trans	-76.5	-43.2	175.8	-61.6	159.8	0	0	0	109.9	N288 E296 E367 K370	N288-I372 HydrophobicContact CB-CG2 4.41Å; N288-I372 WeakPolarHBondContact OD1-CG2 3.25Å; E296-I372 HydrophobicContact CG-CD1 3.74Å; E296-I372 WeakPolarHBondContact OE1-CD1 3.46Å; E367-I372 HydrophobicContact CB-CB 4.45Å; E367-I372 PolarHBondContact O-N 2.91Å; K370-I372 HydrophobicContact CB-CD1 3.83Å; K370-I372 HydrophobicContact CB-CG1 4.01Å; K370-I372 HydrophobicContact CD-CD1 3.67Å; K370-I372 HydrophobicContact CG-CD1 4.44Å
373	I	77.9	Confident	67.1	Low	64 Å²	64	78 Å²	78	33%	0.328	44%	0.444	S	S	.	.	S	Bend	trans	-111.5	140.1	176.7	-56.7	-179.9	0	0	0	109.1	E367	E367-I373 HydrophobicContact CB-CD1 4.01Å; E367-I373 HydrophobicContact CB-CG1 4.14Å; E367-I373 WeakPolarHBondContact OE2-CD1 3.14Å
374	S	67.2	Low	64.8	Low	80 Å²	80	83 Å²	83	56%	0.559	47%	0.465	S	S	*	.			trans	-84.1	134.1	172.9	-60	0	0	0	0	110.5	E376 C377	S374-E376 PolarHBondContact O-N 2.95Å; S374-E376 VanDerWaalsContact O-N 3.08Å; S374-C377 PolarHBondContact O-N 3.44Å; S374-C377 PolarHBondContact O-SG 3.49Å
375	S	57.2	Low	62.5	Low	96 Å²	96	86.3 Å²	86.3	67%	0.671	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.5	174.7	-55.1	0	0	0	0	113.5	I368 C377	I368-S375 VanDerWaalsContact CG2-OG 3.31Å; I368-S375 WeakPolarHBondContact CG2-OG 3.36Å; S375-C377 VanDerWaalsContact C-N 3.31Å; S375-C377 PolarHBondContact O-N 3.49Å
376	E	51.6	Low	60.2	Low	170 Å²	170	84.9 Å²	84.9	79%	0.794	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	11	-175.6	-68.7	179.2	164.3	0	0	114.6	S374 N378	S374-E376 PolarHBondContact O-N 2.95Å; S374-E376 VanDerWaalsContact O-N 3.08Å; E376-N378 PolarHBondContact O-N 3.34Å
377	C	44	Very low	58.1	Low	82 Å²	82	87.6 Å²	87.6	55%	0.554	49%	0.488	S	S	*	.			trans	-71.5	64.3	172.2	-58.3	0	0	0	0	111.2	S374 S375	S374-C377 PolarHBondContact O-N 3.44Å; S374-C377 PolarHBondContact O-SG 3.49Å; S375-C377 VanDerWaalsContact C-N 3.31Å; S375-C377 PolarHBondContact O-N 3.49Å
378	N	39.8	Very low	55.8	Low	133 Å²	133	89.8 Å²	89.8	71%	0.711	50%	0.504	S	S	*	.			trans	-56.9	141.5	160.1	-81.9	-34.8	0	0	0	108.6	E376 N380	E376-N378 PolarHBondContact O-N 3.34Å; N378-N380 PolarHBondContact O-N 2.87Å
379	N	45.3	Very low	53.8	Low	126 Å²	126	88.8 Å²	88.8	67%	0.674	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	7	-163.8	-78.6	-56.9	0	0	0	118.3
380	N	44	Very low	51.8	Low	150 Å²	150	90.6 Å²	90.6	80%	0.802	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	1	-166.9	-64.6	-15.2	0	0	0	115.5	N378 A382	N378-N380 PolarHBondContact O-N 2.87Å; N380-A382 PolarHBondContact O-N 3.49Å; N380-A382 VanDerWaalsContact O-N 3.1Å
381	D	40.4	Very low	50.1	Low	108 Å²	108	94 Å²	94	58%	0.578	54%	0.536	S	S	*	.			trans	-73	111.7	170.2	-85.6	-11.4	0	0	0	109.7	S383 K384	D381-S383 PolarHBondContact O-N 2.82Å; D381-K384 PolarHBondContact O-N 2.81Å; D381-K384 VanDerWaalsContact O-N 3.09Å
382	A	41.7	Very low	48.5	Very low	88 Å²	88	96 Å²	96	73%	0.727	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-10.3	164.2	0	0	0	0	0	113.3	N380 K384 E385	N380-A382 PolarHBondContact O-N 3.49Å; N380-A382 VanDerWaalsContact O-N 3.1Å; A382-K384 PolarHBondContact O-N 3.28Å; A382-E385 PolarHBondContact O-N 3.39Å
383	S	42.3	Very low	47.4	Very low	50 Å²	50	102.2 Å²	102.2	35%	0.35	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.3	6.6	172.3	86.2	0	0	0	0	115.8	K286 D381 E385 C386	K286-S383 PolarHBondContact NZ-OG 3.33Å; D381-S383 PolarHBondContact O-N 2.82Å; S383-E385 PolarHBondContact O-N 2.8Å; S383-C386 PolarHBondContact O-N 3.43Å
384	K	39	Very low	47.2	Very low	122 Å²	122	101.3 Å²	101.3	53%	0.53	57%	0.57	S	S	.	*	H	α-helix	trans	-53.3	-26.6	159.5	-76.5	-174.7	179.7	174.1	0	111.9	D381 A382 C386 I387	D381-K384 PolarHBondContact O-N 2.81Å; D381-K384 VanDerWaalsContact O-N 3.09Å; A382-K384 PolarHBondContact O-N 3.28Å; K384-C386 PolarHBondContact O-N 3.47Å; K384-C386 VanDerWaalsContact O-N 3.17Å; K384-I387 PolarHBondContact O-N 2.82Å
385	E	37.8	Very low	47.9	Very low	164 Å²	164	100.4 Å²	100.4	77%	0.766	56%	0.561	S	S	*	*	H	α-helix	trans	-59.8	-23.2	173.5	-70.9	-175.8	166.5	0	0	114	A382 S383 T388	A382-E385 PolarHBondContact O-N 3.39Å; S383-E385 PolarHBondContact O-N 2.8Å; E385-T388 PolarHBondContact O-OG1 2.97Å
386	C	37	Very low	49.2	Very low	56 Å²	56	97.7 Å²	97.7	38%	0.378	54%	0.536	S	S	.	.	H	α-helix	trans	-89.5	-25.6	-179.1	-163.1	0	0	0	0	113.1	S383 K384 T388 G389	S383-C386 PolarHBondContact O-N 3.43Å; K384-C386 PolarHBondContact O-N 3.47Å; K384-C386 VanDerWaalsContact O-N 3.17Å; C386-T388 PolarHBondContact O-N 3.42Å; C386-G389 PolarHBondContact O-N 3.08Å; C386-G389 VanDerWaalsContact O-N 3.09Å
387	I	42.8	Very low	50.8	Low	118 Å²	118	90.8 Å²	90.8	61%	0.605	51%	0.505	S	S	*	.	H	α-helix	trans	-62.7	-32.2	174.5	-56.3	175.5	0	0	0	110.1	K384	K384-I387 PolarHBondContact O-N 2.82Å
388	T	40.9	Very low	52.7	Low	72 Å²	72	92.6 Å²	92.6	44%	0.442	51%	0.506	S	S	.	.	H	α-helix	trans	-77.3	-20.6	176.1	37.8	0	0	0	0	114.3	E385 C386 I390 K391 C392	E385-T388 PolarHBondContact O-OG1 2.97Å; C386-T388 PolarHBondContact O-N 3.42Å; T388-I390 VanDerWaalsContact C-N 3.34Å; T388-I390 PolarHBondContact O-N 2.83Å; T388-K391 PolarHBondContact O-N 3.41Å; T388-C392 WeakPolarHBondContact O-CB 3.2Å; T388-C392 PolarHBondContact O-N 3.36Å; T388-C392 VanDerWaalsContact O-N 3.07Å; T388-C392 PolarHBondContact O-SG 3.15Å; T388-C392 VanDerWaalsContact O-SG 3.34Å
389	G	41.7	Very low	54.9	Low	45 Å²	45	90.1 Å²	90.1	46%	0.464	49%	0.493	S	S	.	.	H	α-helix	trans	-59.4	-39.5	-171.6	0	0	0	0	0	114.2	C386	C386-G389 PolarHBondContact O-N 3.08Å; C386-G389 VanDerWaalsContact O-N 3.09Å
390	I	47.7	Very low	56.8	Low	111 Å²	111	84.5 Å²	84.5	57%	0.569	46%	0.463	S	S	*	.	H	α-helix	trans	-90.4	-34	178.5	-60.4	174.5	0	0	0	111.4	D289 T388 C392 Q393	D289-I390 HydrophobicContact CB-CD1 4.29Å; D289-I390 WeakPolarHBondContact OD1-CD1 3.34Å; T388-I390 VanDerWaalsContact C-N 3.34Å; T388-I390 PolarHBondContact O-N 2.83Å; I390-C392 PolarHBondContact O-N 3.35Å; I390-Q393 PolarHBondContact O-N 3.23Å
391	K	49.4	Very low	58.9	Low	108 Å²	108	79.6 Å²	79.6	47%	0.47	44%	0.438	S	S	.	.	H	α-helix	trans	-64.9	-22.9	-179.7	-138.5	173.9	-174.6	177.4	0	112.4	E300 T388	E300-K391 VanDerWaalsContact CD-CE 3.5Å; E300-K391 VanDerWaalsContact OE1-CE 3.26Å; E300-K391 WeakPolarHBondContact OE1-CE 3.49Å; E300-K391 IonicContact OE1-NZ 3.64Å; E300-K391 PolarHBondContact OE1-NZ 3.39Å; E300-K391 WeakPolarHBondContact OE2-CE 3.37Å; E300-K391 IonicContact OE2-NZ 3.55Å; E300-K391 PolarHBondContact OE2-NZ 3.4Å; T388-K391 PolarHBondContact O-N 3.41Å
392	C	49.8	Very low	61.2	Low	62 Å²	62	81.3 Å²	81.3	42%	0.419	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	10.6	-175.7	-63.6	0	0	0	0	115.9	T388 I390 N394	T388-C392 WeakPolarHBondContact O-CB 3.2Å; T388-C392 PolarHBondContact O-N 3.36Å; T388-C392 VanDerWaalsContact O-N 3.07Å; T388-C392 PolarHBondContact O-SG 3.15Å; T388-C392 VanDerWaalsContact O-SG 3.34Å; I390-C392 PolarHBondContact O-N 3.35Å; C392-N394 PolarHBondContact O-N 3.33Å
393	Q	58.8	Low	63.3	Low	142 Å²	142	79.9 Å²	79.9	66%	0.664	42%	0.421	S	S	*	.	S	Bend	trans	-65.1	-26	-179.8	-163.3	64.6	43.2	0	0	112.4	I390 T395	I390-Q393 PolarHBondContact O-N 3.23Å; Q393-T395 PolarHBondContact O-N 2.98Å
394	N	72.6	Confident	65.5	Low	44 Å²	44	77.7 Å²	77.7	24%	0.235	41%	0.405	C	S	.	.			trans	-97.5	82.3	-179.5	-162	-38.8	0	0	0	111.1	C392 Y396 L397 M398	C392-N394 PolarHBondContact O-N 3.33Å; N394-Y396 PolarHBondContact O-N 3.48Å; N394-Y396 WeakPolarHBondContact OD1-CB 3.46Å; N394-Y396 PolarHBondContact OD1-N 3.48Å; N394-L397 HydrophobicContact CB-CB 4.16Å; N394-L397 HydrophobicContact CB-CD1 4.03Å; N394-L397 HydrophobicContact CB-CG 4.24Å; N394-L397 WeakPolarHBondContact ND2-CD1 3.26Å; N394-L397 PolarHBondContact O-N 3.37Å; N394-L397 PolarHBondContact OD1-N 3.37Å; N394-M398 PolarHBondContact O-N 2.81Å
395	T	81.8	Confident	67.9	Low	62 Å²	62	74 Å²	74	38%	0.38	40%	0.395	S	S	.	.	H	α-helix	trans	-55.8	-38.2	177.2	57.9	0	0	0	0	111.7	D96 Q393 L397 M398 D399	D96-T395 PolarHBondContact OD2-N 3.38Å; D96-T395 PolarHBondContact OD2-OG1 2.83Å; Q393-T395 PolarHBondContact O-N 2.98Å; T395-L397 PolarHBondContact O-N 3.28Å; T395-M398 PolarHBondContact O-N 2.87Å; T395-D399 PolarHBondContact O-N 3.35Å
396	Y	84.6	Confident	70.3	Confident	39 Å²	39	72.1 Å²	72.1	15%	0.153	39%	0.39	C	S	.	.	H	α-helix	trans	-60.1	-44	177.6	171.9	-90.7	0	0	0	113.5	K90 I92 D96 N394 R400	K90-Y396 HydrophobicContact CB-CE2 3.94Å; I92-Y396 HydrophobicContact CG1-CD1 4.25Å; I92-Y396 HydrophobicContact CG1-CD2 4.41Å; I92-Y396 HydrophobicContact CG1-CE1 4.32Å; I92-Y396 HydrophobicContact CG1-CE2 4.47Å; I92-Y396 HydrophobicContact CG1-CG 4.31Å; D96-Y396 PolarHBondContact OD2-N 3.4Å; N394-Y396 PolarHBondContact O-N 3.48Å; N394-Y396 WeakPolarHBondContact OD1-CB 3.46Å; N394-Y396 PolarHBondContact OD1-N 3.48Å; Y396-R400 HydrophobicContact CD1-CG 4.46Å; Y396-R400 HydrophobicContact CD2-CG 4.39Å; Y396-R400 HydrophobicContact CE1-CG 3.93Å; Y396-R400 HydrophobicContact CE2-CG 3.86Å; Y396-R400 WeakPolarHBondContact O-CB 3.38Å; Y396-R400 PolarHBondContact O-N 2.78Å
397	L	84.5	Confident	72.6	Confident	24 Å²	24	71.6 Å²	71.6	13%	0.126	38%	0.384	C	S	.	.	H	α-helix	trans	-66.4	-39	179.6	-79.1	176.6	0	0	0	111.8	I301 R305 I308 N394 T395 R400 T401	I301-L397 HydrophobicContact CG2-CD1 4.16Å; R305-L397 HydrophobicContact CG-CD1 4.17Å; R305-L397 HydrophobicContact CG-CD2 3.86Å; I308-L397 HydrophobicContact CD1-CD2 3.96Å; N394-L397 HydrophobicContact CB-CB 4.16Å; N394-L397 HydrophobicContact CB-CD1 4.03Å; N394-L397 HydrophobicContact CB-CG 4.24Å; N394-L397 WeakPolarHBondContact ND2-CD1 3.26Å; N394-L397 PolarHBondContact O-N 3.37Å; N394-L397 PolarHBondContact OD1-N 3.37Å; T395-L397 PolarHBondContact O-N 3.28Å; L397-R400 PolarHBondContact O-N 3.31Å; L397-T401 WeakPolarHBondContact O-CB 3.25Å; L397-T401 PolarHBondContact O-N 3.15Å; L397-T401 PolarHBondContact O-OG1 3.03Å
398	M	84.9	Confident	74.8	Confident	120 Å²	120	67 Å²	67	59%	0.591	36%	0.36	S	S	*	.	H	α-helix	trans	-63.8	-50.3	177.7	-171.9	170.9	178.1	0	0	110.8	N394 T395 R400 T401 Q402	N394-M398 PolarHBondContact O-N 2.81Å; T395-M398 PolarHBondContact O-N 2.87Å; M398-R400 VanDerWaalsContact C-N 3.31Å; M398-R400 PolarHBondContact O-N 2.66Å; M398-T401 PolarHBondContact O-N 3.42Å; M398-Q402 PolarHBondContact O-N 3.05Å
399	D	86.1	Confident	77	Confident	82 Å²	82	68.3 Å²	68.3	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-58.9	-42.4	177.3	-70.5	-7.5	0	0	0	111.8	T395 E403	T395-D399 PolarHBondContact O-N 3.35Å; D399-E403 VanDerWaalsContact O-CB 3.29Å; D399-E403 WeakPolarHBondContact O-CB 3.35Å; D399-E403 PolarHBondContact O-N 2.98Å
400	R	85.6	Confident	79.1	Confident	7 Å²	7	72.9 Å²	72.9	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-69.9	-36.8	178.8	-83	-52.2	-149.4	169.8	18	113.3	I308 N316 Y396 L397 M398 Q402 E403 L404	I308-R400 HydrophobicContact CD1-CB 4.07Å; N316-R400 PolarHBondContact ND2-NH2 2.99Å; N316-R400 PolarHBondContact OD1-NH2 3.06Å; Y396-R400 HydrophobicContact CD1-CG 4.46Å; Y396-R400 HydrophobicContact CD2-CG 4.39Å; Y396-R400 HydrophobicContact CE1-CG 3.93Å; Y396-R400 HydrophobicContact CE2-CG 3.86Å; Y396-R400 WeakPolarHBondContact O-CB 3.38Å; Y396-R400 PolarHBondContact O-N 2.78Å; L397-R400 PolarHBondContact O-N 3.31Å; M398-R400 VanDerWaalsContact C-N 3.31Å; M398-R400 PolarHBondContact O-N 2.66Å; R400-Q402 VanDerWaalsContact C-N 3.34Å; R400-E403 WeakPolarHBondContact CD-OE2 3.43Å; R400-E403 IonicContact CZ-OE2 3.84Å; R400-E403 IonicContact NE-OE2 2.8Å; R400-E403 IonicContact NH1-OE1 2.98Å; R400-E403 PolarHBondContact NH1-OE1 3.43Å; R400-E403 IonicContact NH1-OE2 3.22Å; R400-E403 PolarHBondContact NH1-OE2 2.69Å; R400-E403 PolarHBondContact O-N 3.35Å; R400-L404 WeakPolarHBondContact O-CB 3.28Å; R400-L404 WeakPolarHBondContact O-CG 3.3Å; R400-L404 PolarHBondContact O-N 3.16Å
401	T	87.5	Confident	80.8	Confident	48 Å²	48	70.5 Å²	70.5	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-65.1	-42.3	176.7	-53.6	0	0	0	0	110.3	L397 M398 L404 S405 L408	L397-T401 WeakPolarHBondContact O-CB 3.25Å; L397-T401 PolarHBondContact O-N 3.15Å; L397-T401 PolarHBondContact O-OG1 3.03Å; M398-T401 PolarHBondContact O-N 3.42Å; T401-L404 PolarHBondContact O-N 2.81Å; T401-S405 PolarHBondContact O-N 2.72Å; T401-S405 VanDerWaalsContact O-N 3.08Å; T401-L408 HydrophobicContact CG2-CD1 3.81Å; T401-L408 WeakPolarHBondContact O-CD1 3.16Å
402	Q	89	Confident	82.5	Confident	144 Å²	144	66.5 Å²	66.5	67%	0.673	35%	0.345	S	S	*	.	H	α-helix	trans	-66.1	-42.5	176.2	-175.9	178.6	-6.1	0	0	112.2	M398 R400 L404 S405	M398-Q402 PolarHBondContact O-N 3.05Å; R400-Q402 VanDerWaalsContact C-N 3.34Å; Q402-L404 VanDerWaalsContact C-N 3.3Å; Q402-L404 PolarHBondContact O-N 2.82Å; Q402-S405 VanDerWaalsContact O-CB 3.27Å; Q402-S405 WeakPolarHBondContact O-CB 3.44Å; Q402-S405 PolarHBondContact O-N 3.36Å
403	E	86.4	Confident	84.1	Confident	57 Å²	57	69 Å²	69	27%	0.266	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-36	178.6	-174.5	178.7	169.6	0	0	112.7	V86 K90 D399 R400	V86-E403 VanDerWaalsContact CG1-OE1 3.31Å; V86-E403 WeakPolarHBondContact CG1-OE1 3.47Å; K90-E403 IonicContact NZ-OE2 3.05Å; K90-E403 PolarHBondContact NZ-OE2 2.76Å; D399-E403 VanDerWaalsContact O-CB 3.29Å; D399-E403 WeakPolarHBondContact O-CB 3.35Å; D399-E403 PolarHBondContact O-N 2.98Å; R400-E403 WeakPolarHBondContact CD-OE2 3.43Å; R400-E403 IonicContact CZ-OE2 3.84Å; R400-E403 IonicContact NE-OE2 2.8Å; R400-E403 IonicContact NH1-OE1 2.98Å; R400-E403 PolarHBondContact NH1-OE1 3.43Å; R400-E403 IonicContact NH1-OE2 3.22Å; R400-E403 PolarHBondContact NH1-OE2 2.69Å; R400-E403 PolarHBondContact O-N 3.35Å
404	L	87.5	Confident	85.3	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	8.7	179.9	-63	174.6	0	0	0	113.3	I308 L311 V315 R400 T401 Q402 D406 L407 L408	I308-L404 HydrophobicContact CB-CD1 4.4Å; I308-L404 HydrophobicContact CG1-CD1 4.26Å; I308-L404 HydrophobicContact CG2-CD1 3.95Å; L311-L404 HydrophobicContact CB-CD1 4.23Å; L311-L404 HydrophobicContact CD1-CB 4.37Å; V315-L404 HydrophobicContact CB-CD2 4.44Å; V315-L404 HydrophobicContact CG1-CD2 3.96Å; V315-L404 HydrophobicContact CG2-CD2 3.76Å; R400-L404 WeakPolarHBondContact O-CB 3.28Å; R400-L404 WeakPolarHBondContact O-CG 3.3Å; R400-L404 PolarHBondContact O-N 3.16Å; T401-L404 PolarHBondContact O-N 2.81Å; Q402-L404 VanDerWaalsContact C-N 3.3Å; Q402-L404 PolarHBondContact O-N 2.82Å; L404-D406 VanDerWaalsContact C-N 3.29Å; L404-D406 PolarHBondContact O-N 2.87Å; L404-L407 HydrophobicContact CD2-CD1 4.16Å; L404-L407 PolarHBondContact O-N 3.13Å; L404-L408 HydrophobicContact CB-CD1 4.19Å; L404-L408 HydrophobicContact CB-CG 4.28Å; L404-L408 WeakPolarHBondContact O-CB 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.43Å; L404-L408 PolarHBondContact O-N 3.14Å
405	S	89.2	Confident	85.8	Confident	46 Å²	46	72 Å²	72	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-53.6	-44	-173.2	-176.4	0	0	0	0	112.8	T401 Q402 L407 L408 N409	T401-S405 PolarHBondContact O-N 2.72Å; T401-S405 VanDerWaalsContact O-N 3.08Å; Q402-S405 VanDerWaalsContact O-CB 3.27Å; Q402-S405 WeakPolarHBondContact O-CB 3.44Å; Q402-S405 PolarHBondContact O-N 3.36Å; S405-L407 VanDerWaalsContact C-N 3.32Å; S405-L407 PolarHBondContact O-N 2.96Å; S405-L408 PolarHBondContact O-N 3.16Å; S405-N409 VanDerWaalsContact O-CG 3.32Å; S405-N409 PolarHBondContact O-N 3.23Å; S405-N409 PolarHBondContact O-ND2 3Å
406	D	87.6	Confident	85.9	Confident	124 Å²	124	71.4 Å²	71.4	66%	0.663	37%	0.37	S	S	*	.	H	α-helix	trans	-64.1	-38.3	-179	-60.9	-26.1	0	0	0	111.9	L404 Q410	L404-D406 VanDerWaalsContact C-N 3.29Å; L404-D406 PolarHBondContact O-N 2.87Å; D406-Q410 WeakPolarHBondContact O-CG 3.39Å; D406-Q410 PolarHBondContact O-N 2.89Å
407	L	87.1	Confident	85.9	Confident	45 Å²	45	75.1 Å²	75.1	24%	0.236	39%	0.391	C	S	.	.	H	α-helix	trans	-77.8	-34.2	177.3	-69.4	174	0	0	0	112.4	L311 V315 L404 S405 N409 Q410 M411	L311-L407 HydrophobicContact CD1-CB 3.97Å; L311-L407 HydrophobicContact CD2-CB 4.06Å; V315-L407 HydrophobicContact CG1-CD1 3.33Å; L404-L407 HydrophobicContact CD2-CD1 4.16Å; L404-L407 PolarHBondContact O-N 3.13Å; S405-L407 VanDerWaalsContact C-N 3.32Å; S405-L407 PolarHBondContact O-N 2.96Å; L407-N409 VanDerWaalsContact C-N 3.3Å; L407-N409 PolarHBondContact O-N 3.41Å; L407-Q410 PolarHBondContact O-N 2.7Å; L407-M411 PolarHBondContact O-N 2.77Å
408	L	88	Confident	85.9	Confident	21 Å²	21	76 Å²	76	11%	0.11	40%	0.395	C	S	.	.	H	α-helix	trans	-60.5	-42.9	174.3	-76.9	166.3	0	0	0	110.9	K307 L311 T401 L404 S405 Q410 M411 V412	K307-L408 HydrophobicContact CB-CD2 3.59Å; K307-L408 HydrophobicContact CD-CD2 4.13Å; K307-L408 HydrophobicContact CG-CD2 4.35Å; L311-L408 HydrophobicContact CD1-CB 4.32Å; L311-L408 HydrophobicContact CD1-CD2 3.49Å; L311-L408 VanDerWaalsContact CD1-CD2 3.49Å; L311-L408 HydrophobicContact CD1-CG 3.57Å; T401-L408 HydrophobicContact CG2-CD1 3.81Å; T401-L408 WeakPolarHBondContact O-CD1 3.16Å; L404-L408 HydrophobicContact CB-CD1 4.19Å; L404-L408 HydrophobicContact CB-CG 4.28Å; L404-L408 WeakPolarHBondContact O-CB 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.43Å; L404-L408 PolarHBondContact O-N 3.14Å; S405-L408 PolarHBondContact O-N 3.16Å; L408-Q410 VanDerWaalsContact C-N 3.29Å; L408-Q410 PolarHBondContact O-N 3.11Å; L408-M411 HydrophobicContact CD2-CE 4.23Å; L408-M411 PolarHBondContact O-N 3.39Å; L408-V412 PolarHBondContact O-N 3.41Å
409	N	87.2	Confident	85.8	Confident	99 Å²	99	72.2 Å²	72.2	53%	0.529	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-29.5	176.4	-70.9	-19.9	0	0	0	112.7	S405 L407 V412 P413	S405-N409 VanDerWaalsContact O-CG 3.32Å; S405-N409 PolarHBondContact O-N 3.23Å; S405-N409 PolarHBondContact O-ND2 3Å; L407-N409 VanDerWaalsContact C-N 3.3Å; L407-N409 PolarHBondContact O-N 3.41Å; N409-V412 CarbonylContact O-C 3.52Å; N409-P413 WeakPolarHBondContact O-CA 3.05Å
410	Q	86.5	Confident	85.7	Confident	142 Å²	142	75.6 Å²	75.6	66%	0.664	39%	0.391	S	S	*	.	H	α-helix	trans	-74.2	-39.8	174.2	-69.5	175	38	0	0	112.1	D406 L407 L408	D406-Q410 WeakPolarHBondContact O-CG 3.39Å; D406-Q410 PolarHBondContact O-N 2.89Å; L407-Q410 PolarHBondContact O-N 2.7Å; L408-Q410 VanDerWaalsContact C-N 3.29Å; L408-Q410 PolarHBondContact O-N 3.11Å
411	M	83.8	Confident	85.5	Confident	61 Å²	61	80.1 Å²	80.1	30%	0.3	42%	0.415	S	S	.	.	H	α-helix	trans	-73.4	-36.3	-179.7	-175	176.9	64.1	0	0	112.5	K307 R310 L311 I357 L407 L408	K307-M411 HydrophobicContact CB-CE 3.69Å; K307-M411 HydrophobicContact CG-CE 3.86Å; R310-M411 HydrophobicContact CB-SD 4.16Å; L311-M411 HydrophobicContact CD1-CE 4.19Å; L311-M411 HydrophobicContact CD2-CB 4.39Å; L311-M411 HydrophobicContact CD2-CE 4.49Å; L311-M411 HydrophobicContact CD2-SD 4.1Å; L311-M411 HydrophobicContact CG-CE 4.14Å; L311-M411 HydrophobicContact CG-SD 4.26Å; I357-M411 HydrophobicContact CD1-CE 4Å; I357-M411 HydrophobicContact CD1-CG 4.45Å; I357-M411 HydrophobicContact CD1-SD 4.13Å; L407-M411 PolarHBondContact O-N 2.77Å; L408-M411 HydrophobicContact CD2-CE 4.23Å; L408-M411 PolarHBondContact O-N 3.39Å
412	V	84.4	Confident	85.2	Confident	23 Å²	23	80.2 Å²	80.2	14%	0.139	42%	0.421	C	S	.	.			trans	-131.9	85.4	176.2	-177.3	0	0	0	0	108.3	I357 F359 L408 N409 H414	I357-V412 HydrophobicContact CD1-CG2 4.19Å; F359-V412 HydrophobicContact CE1-CG1 4.24Å; F359-V412 HydrophobicContact CZ-CG1 3.6Å; F359-V412 HydrophobicContact CZ-CG2 4.23Å; L408-V412 PolarHBondContact O-N 3.41Å; N409-V412 CarbonylContact O-C 3.52Å; V412-H414 VanDerWaalsContact C-N 3.25Å; V412-H414 PolarHBondContact O-N 3.43Å
413	P	82.7	Confident	84.5	Confident	114 Å²	114	81.6 Å²	81.6	74%	0.74	43%	0.431	S	S	*	.	S	Bend	trans	-63.4	-30.3	-179.7	-24.4	34.8	0	0	0	113.9	N409	N409-P413 WeakPolarHBondContact O-CA 3.05Å
414	H	83.8	Confident	83.9	Confident	140 Å²	140	85 Å²	85	65%	0.648	46%	0.456	S	S	*	.			trans	-136.2	120.3	179.3	-173.6	67.7	0	0	0	110.4	V412	V412-H414 VanDerWaalsContact C-N 3.25Å; V412-H414 PolarHBondContact O-N 3.43Å
415	E	83.1	Confident	82.9	Confident	110 Å²	110	88.3 Å²	88.3	51%	0.514	49%	0.491	S	S	.	.			trans	-90.6	127.2	172.3	-176.7	156.4	154.6	0	0	109.4	K307 F359	K307-E415 IonicContact NZ-OE2 3.78Å; K307-E415 PolarHBondContact NZ-OE2 3.12Å; F359-E415 HydrophobicContact CD1-CG 3.85Å; F359-E415 HydrophobicContact CE1-CB 4.43Å; F359-E415 HydrophobicContact CE1-CG 3.71Å
416	P	83.5	Confident	81.5	Confident	49 Å²	49	94.8 Å²	94.8	32%	0.318	52%	0.516	S	S	.	.			trans	-64.3	143.3	-176.5	25.1	-35.1	0	0	0	112.6	F359 M418	F359-P416 HydrophobicContact CB-CG 3.62Å; F359-P416 HydrophobicContact CD1-CG 4.1Å; F359-P416 HydrophobicContact CD2-CG 3.77Å; F359-P416 HydrophobicContact CE2-CG 4.48Å; F359-P416 HydrophobicContact CG-CG 3.55Å; P416-M418 HydrophobicContact CB-SD 4.29Å; P416-M418 HydrophobicContact CG-SD 4.4Å; P416-M418 PolarHBondContact O-N 2.97Å; P416-M418 VanDerWaalsContact O-N 3.1Å
417	I	85.1	Confident	80.2	Confident	117 Å²	117	97.8 Å²	97.8	60%	0.6	52%	0.523	S	S	*	.			trans	-76.5	98.1	178.2	-55.8	171.4	0	0	0	109.3	E420	I417-E420 HydrophobicContact CG2-CB 4.36Å
418	M	84	Confident	78.4	Confident	42 Å²	42	101.6 Å²	101.6	21%	0.207	55%	0.548	C	S	.	.			trans	-95.5	-22.2	-178.4	-60	-58.7	-69.5	0	0	114.2	F359 K361 P416 E420 L421	F359-M418 WeakPolarHBondContact O-CE 3.29Å; K361-M418 HydrophobicContact CB-CB 3.79Å; K361-M418 HydrophobicContact CB-CG 4.31Å; K361-M418 HydrophobicContact CD-CB 4.22Å; P416-M418 HydrophobicContact CB-SD 4.29Å; P416-M418 HydrophobicContact CG-SD 4.4Å; P416-M418 PolarHBondContact O-N 2.97Å; P416-M418 VanDerWaalsContact O-N 3.1Å; M418-E420 VanDerWaalsContact C-N 3.3Å; M418-E420 PolarHBondContact O-N 2.87Å; M418-L421 HydrophobicContact CE-CD2 3.76Å; M418-L421 WeakPolarHBondContact O-CB 3.35Å; M418-L421 PolarHBondContact O-N 3.11Å; M418-L421 HydrophobicContact SD-CD2 4.19Å
419	D	83.8	Confident	76.5	Confident	41 Å²	41	107.7 Å²	107.7	22%	0.219	58%	0.58	C	S	.	*	T	Hydrogen-bonded Turn	trans	-65.2	-33.9	-174.2	-76.9	8	0	0	0	113.3	K361 K364	K361-D419 WeakPolarHBondContact CD-OD1 3.49Å; K361-D419 WeakPolarHBondContact CE-OD1 3.39Å; K361-D419 IonicContact NZ-OD1 2.77Å; K361-D419 PolarHBondContact NZ-OD1 3.35Å; K361-D419 IonicContact NZ-OD2 2.75Å; K364-D419 HydrophobicContact CD-CB 4.15Å; K364-D419 WeakPolarHBondContact CE-OD2 3.21Å; K364-D419 HydrophobicContact CG-CB 4.23Å; K364-D419 PolarHBondContact N-O 2.98Å; K364-D419 IonicContact NZ-OD2 3.41Å; K364-D419 PolarHBondContact NZ-OD2 3.3Å; K364-D419 VanDerWaalsContact NZ-OD2 3.16Å
420	E	83.9	Confident	74.5	Confident	154 Å²	154	111.9 Å²	111.9	72%	0.72	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	3	-175.1	-61.2	-179.1	-179.1	0	0	112.3	I417 M418 A422	I417-E420 HydrophobicContact CG2-CB 4.36Å; M418-E420 VanDerWaalsContact C-N 3.3Å; M418-E420 PolarHBondContact O-N 2.87Å; E420-A422 PolarHBondContact O-N 3.15Å
421	L	82.1	Confident	72	Confident	101 Å²	101	112.8 Å²	112.8	53%	0.529	60%	0.603	S	S	.	*			trans	-70.7	99.7	-177.7	-173.1	66.1	0	0	0	110.2	P363 M418	P363-L421 WeakPolarHBondContact CB-O 3.29Å; P363-L421 HydrophobicContact CG-CB 4.45Å; P363-L421 WeakPolarHBondContact CG-O 3.41Å; M418-L421 HydrophobicContact CE-CD2 3.76Å; M418-L421 WeakPolarHBondContact O-CB 3.35Å; M418-L421 PolarHBondContact O-N 3.11Å; M418-L421 HydrophobicContact SD-CD2 4.19Å
422	A	80.1	Confident	69.8	Low	50 Å²	50	118.2 Å²	118.2	41%	0.413	63%	0.627	S	S	.	*			trans	-139.6	132.3	174.7	0	0	0	0	0	110.4	V365 E420 T424	V365-A422 HydrophobicContact CG2-CB 4.26Å; E420-A422 PolarHBondContact O-N 3.15Å; A422-T424 PolarHBondContact O-N 2.88Å
423	I	74.9	Confident	67.2	Low	174 Å²	174	122.8 Å²	122.8	89%	0.892	66%	0.655	S	S	*	*			trans	-82	105.2	175.3	-58.4	172.3	0	0	0	107.9
424	T	73.2	Confident	65	Low	129 Å²	129	125.5 Å²	125.5	79%	0.791	66%	0.664	S	S	*	*			trans	-89.8	106.5	171.9	49.8	0	0	0	0	109	A422 Q426	A422-T424 PolarHBondContact O-N 2.88Å; T424-Q426 PolarHBondContact O-N 2.92Å
425	G	68	Low	62.6	Low	73 Å²	73	127.5 Å²	127.5	75%	0.753	67%	0.673	S	S	*	*			trans	-65.1	120.6	173.2	0	0	0	0	0	110.3
426	Q	58.7	Low	59.9	Low	182 Å²	182	127.7 Å²	127.7	85%	0.85	69%	0.687	S	S	*	*			trans	-81.7	117.8	166.2	-166	156.9	-5.6	0	0	107.7	T424 V428	T424-Q426 PolarHBondContact O-N 2.92Å; Q426-V428 PolarHBondContact O-N 3.09Å
427	K	61.4	Low	57.4	Low	187 Å²	187	130.7 Å²	130.7	81%	0.813	71%	0.706	S	S	*	*			trans	-61.6	109.9	166.1	-76.8	-178.3	178.7	177.7	0	106.3	L429	K427-L429 PolarHBondContact O-N 3.4Å
428	V	48.9	Very low	54.6	Low	125 Å²	125	132.4 Å²	132.4	76%	0.758	72%	0.717	S	S	*	*			trans	-62.8	92.5	164.2	-178.8	0	0	0	0	105	Q426 K430	Q426-V428 PolarHBondContact O-N 3.09Å; V428-K430 PolarHBondContact O-N 3.17Å
429	L	48.5	Very low	52	Low	148 Å²	148	136.3 Å²	136.3	78%	0.775	74%	0.743	S	S	*	*			trans	-62.2	94.1	169.6	-77	164.5	0	0	0	105.1	K427 N431	K427-L429 PolarHBondContact O-N 3.4Å; L429-N431 VanDerWaalsContact C-N 3.34Å; L429-N431 PolarHBondContact O-N 2.81Å
430	K	43.6	Very low	49.4	Very low	187 Å²	187	142.1 Å²	142.1	81%	0.813	77%	0.768	S	S	*	*			trans	-58.2	105.9	167.7	-72.5	-177.4	177.9	-179.4	0	105.6	V428 Q432	V428-K430 PolarHBondContact O-N 3.17Å; K430-Q432 PolarHBondContact O-N 2.87Å
431	N	34.2	Very low	46.5	Very low	162 Å²	162	141.7 Å²	141.7	87%	0.866	77%	0.771	S	S	*	*			trans	-28.3	98.6	173.6	-60	-29.8	0	0	0	112.1	L429	L429-N431 VanDerWaalsContact C-N 3.34Å; L429-N431 PolarHBondContact O-N 2.81Å
432	Q	37.8	Very low	43.7	Very low	174 Å²	174	144.5 Å²	144.5	81%	0.813	79%	0.787	S	S	*	*			trans	-133.6	111	158.5	-73.8	-169.3	10.2	0	0	107.9	K430	K430-Q432 PolarHBondContact O-N 2.87Å
433	T	31.1	Very low	41.3	Very low	119 Å²	119	147.9 Å²	147.9	73%	0.73	81%	0.807	S	S	*	*			trans	61.4	94.4	151.7	49.3	0	0	0	0	117.2	E435	T433-E435 PolarHBondContact O-N 3.37Å
434	N	35	Very low	39	Very low	172 Å²	172	149.8 Å²	149.8	92%	0.92	81%	0.809	S	S	*	*				14.3	74.8	123.4	-58.9	-16.8	0	0	0	115.6
435	E	33.4	Very low	36.7	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	81%	0.81	S	S	*	*			trans	-123.7	109.3	153.9	-76.2	-166.5	163.5	0	0	107.4	T433 P437	T433-E435 PolarHBondContact O-N 3.37Å; E435-P437 WeakPolarHBondContact O-CD 3.36Å
436	S	27.6	Very low	34.7	Very low	115 Å²	115	156.9 Å²	156.9	80%	0.804	82%	0.815	S	S	*	*			trans	-52.8	121.6	179.2	52.5	0	0	0	0	111.5	D438	S436-D438 PolarHBondContact O-N 3.47Å
437	P	30.5	Very low	33.1	Very low	111 Å²	111	153.3 Å²	153.3	72%	0.721	80%	0.802	S	S	*	*			trans	-86.9	108.4	166.6	32.3	-25.8	0	0	0	108.3	E435 V439	E435-P437 WeakPolarHBondContact O-CD 3.36Å; P437-V439 VanDerWaalsContact C-N 3.33Å; P437-V439 HydrophobicContact CB-CG2 4.21Å; P437-V439 PolarHBondContact O-N 2.97Å
438	D	25.4	Very low	31.5	Very low	154 Å²	154	153.3 Å²	153.3	82%	0.824	81%	0.805	S	S	*	*			trans	-59.5	93	160.7	-172.5	19	0	0	0	108.2	S436	S436-D438 PolarHBondContact O-N 3.47Å
439	V	29.7	Very low	30.5	Very low	123 Å²	123	153.6 Å²	153.6	75%	0.745	80%	0.802	S	S	*	*			trans	-124.2	100.3	173.1	-178.7	0	0	0	0	108.6	P437 N441	P437-V439 VanDerWaalsContact C-N 3.33Å; P437-V439 HydrophobicContact CB-CG2 4.21Å; P437-V439 PolarHBondContact O-N 2.97Å; V439-N441 PolarHBondContact O-N 2.8Å
440	Q	28.9	Very low	29.2	Very low	163 Å²	163	152.2 Å²	152.2	76%	0.762	80%	0.8	S	S	*	*			trans	-47.3	118.3	162.6	-72.4	167	-18.9	0	0	111.1
441	N	23.6	Very low	28.5	Very low	146 Å²	146	150.1 Å²	150.1	78%	0.781	80%	0.803	S	S	*	*			trans	25.4	109.7	135.1	-71.1	-21.9	0	0	0	117.2	V439	V439-N441 PolarHBondContact O-N 2.8Å
442	N	24.2	Very low	28	Very low	159 Å²	159	146.4 Å²	146.4	85%	0.85	79%	0.79	S	S	*	*				178.6	84.5	125.1	-91.4	-23.1	0	0	0	111.8
443	S	28.7	Very low	27.4	Very low	121 Å²	121	146.7 Å²	146.7	85%	0.846	79%	0.791	S	S	*	*	S	Bend	trans	-167.7	93.1	149.4	7.3	0	0	0	0	111.4	K445	S443-K445 PolarHBondContact O-N 3.33Å
444	K	26.4	Very low	26.9	Very low	214 Å²	214	147.2 Å²	147.2	93%	0.93	79%	0.794	S	S	*	*			trans	18.7	91.2	144.4	-67	173.1	179.1	175.2	0	117.3	L446	K444-L446 PolarHBondContact O-N 3.13Å
445	K	24.5	Very low	26.7	Very low	186 Å²	186	144.3 Å²	144.3	81%	0.809	79%	0.787	S	S	*	*			trans	-47.8	116.7	157.2	-156.4	174.6	-172.5	179.4	0	111.6	S443	S443-K445 PolarHBondContact O-N 3.33Å
446	L	26.1	Very low	26.2	Very low	166 Å²	166	145 Å²	145	87%	0.869	79%	0.79	S	S	*	*			trans	-90.9	112.6	156.8	-170.6	75.2	0	0	0	106	K444 E448	K444-L446 PolarHBondContact O-N 3.13Å; L446-E448 PolarHBondContact O-N 2.77Å
447	N	26.4	Very low	26	Very low	107 Å²	107	146.9 Å²	146.9	57%	0.572	79%	0.791	S	S	*	*			trans	-69	112.1	-177.3	-100.1	-11	0	0	0	110.6
448	E	27.5	Very low	26	Very low	186 Å²	186	149.2 Å²	149.2	87%	0.869	80%	0.796	S	S	*	*			trans	-102.7	103.6	152.5	-76	-177.7	171.4	0	0	107.3	L446	L446-E448 PolarHBondContact O-N 2.77Å
449	N	26.6	Very low	25.8	Very low	132 Å²	132	151.2 Å²	151.2	71%	0.706	80%	0.801	S	S	*	*			trans	-82.5	120.9	175.6	-76.5	-13.1	0	0	0	109.2
450	T	22.8	Very low	25.9	Very low	119 Å²	119	150.9 Å²	150.9	73%	0.73	80%	0.803	S	S	*	*			trans	-31.3	127.9	156.1	-43	0	0	0	0	113.5
451	T	27.1	Very low	25.8	Very low	142 Å²	142	152.6 Å²	152.6	87%	0.871	81%	0.812	S	S	*	*			trans	-143	100.1	146.6	-51.7	0	0	0	0	107.9
452	S	25.1	Very low	25.8	Very low	85 Å²	85	155 Å²	155	59%	0.594	82%	0.815	S	S	*	*			trans	-70.4	157.9	165.7	-56.7	0	0	0	0	110.2
453	E	23.7	Very low	25.9	Very low	180 Å²	180	153 Å²	153	84%	0.841	81%	0.81	S	S	*	*			trans	100.2	134.6	154.2	-58.6	-179.1	170.2	0	0	119.3
454	V	22	Very low	25.6	Very low	130 Å²	130	153 Å²	153	79%	0.788	81%	0.806	S	S	*	*			trans	87	97.8	162	-158.3	0	0	0	0	116.5
455	S	30.4	Very low	25.6	Very low	110 Å²	110	149.5 Å²	149.5	77%	0.769	80%	0.797	S	S	*	*				-176.4	95.6	113.2	-75.2	0	0	0	0	110.3	L457	S455-L457 PolarHBondContact O-N 3.06Å
456	Q	23.5	Very low	25.7	Very low	195 Å²	195	147.4 Å²	147.4	91%	0.911	79%	0.794	S	S	*	*			trans	-68.6	108.3	157.9	-68.8	166.9	-33.8	0	0	107.9
457	L	22.9	Very low	25.9	Very low	155 Å²	155	147.6 Å²	147.6	81%	0.812	79%	0.79	S	S	*	*			trans	-151.9	136.1	159.4	-83.1	-175.7	0	0	0	110.9	S455	S455-L457 PolarHBondContact O-N 3.06Å
458	L	30.6	Very low	26.1	Very low	160 Å²	160	146.8 Å²	146.8	84%	0.838	79%	0.793	S	S	*	*			trans	90	81.5	163.1	-66.7	140.4	0	0	0	117.3	S460	L458-S460 PolarHBondContact O-N 2.76Å
459	E	21.1	Very low	26.3	Very low	197 Å²	197	146 Å²	146	92%	0.921	80%	0.795	S	S	*	*			trans	-46.6	120.1	145.4	-68.6	166.2	154.7	0	0	110.8
460	S	32	Very low	26.7	Very low	115 Å²	115	143.5 Å²	143.5	80%	0.804	79%	0.788	S	S	*	*			trans	-135	119.1	153	60.5	0	0	0	0	107.7	L458 K462	L458-S460 PolarHBondContact O-N 2.76Å; S460-K462 PolarHBondContact O-N 2.78Å
461	E	25.6	Very low	27.4	Very low	200 Å²	200	147 Å²	147	94%	0.935	79%	0.793	S	S	*	*			trans	-70.6	114.9	-172.7	-62.1	-165.5	150.9	0	0	111.5
462	K	24.9	Very low	28.3	Very low	197 Å²	197	145.5 Å²	145.5	86%	0.857	78%	0.779	S	S	*	*			trans	-142.4	131.1	154.8	-162.2	169.2	-177.5	-179.4	0	108.1	S460 T464	S460-K462 PolarHBondContact O-N 2.78Å; K462-T464 PolarHBondContact O-N 2.83Å; K462-T464 VanDerWaalsContact O-N 3.15Å
463	P	25	Very low	29.3	Very low	115 Å²	115	148.5 Å²	148.5	75%	0.747	79%	0.788	S	S	*	*			trans	-72.5	114.4	-157.8	27.7	-33.8	0	0	0	111.8	N465	P463-N465 PolarHBondContact O-N 3.37Å
464	T	23.1	Very low	30.9	Very low	122 Å²	122	142.3 Å²	142.3	75%	0.748	76%	0.759	S	S	*	*			trans	20.6	72.4	135.5	-26	0	0	0	0	116.2	K462 L466	K462-T464 PolarHBondContact O-N 2.83Å; K462-T464 VanDerWaalsContact O-N 3.15Å; T464-L466 HydrophobicContact CG2-CD1 3.72Å
465	N	26.2	Very low	33.1	Very low	140 Å²	140	140.1 Å²	140.1	75%	0.749	75%	0.75	S	S	*	*			trans	-93.8	94.4	151.1	-150.1	-23.2	0	0	0	107.2	P463 Q467	P463-N465 PolarHBondContact O-N 3.37Å; N465-Q467 PolarHBondContact O-N 3Å
466	L	27.2	Very low	35.4	Very low	142 Å²	142	142.7 Å²	142.7	74%	0.743	74%	0.743	S	S	*	*			trans	-68.4	73.9	-178.8	-143.7	78.7	0	0	0	108.5	T464 S468	T464-L466 HydrophobicContact CG2-CD1 3.72Å; L466-S468 PolarHBondContact O-N 3.48Å
467	Q	30	Very low	38	Very low	170 Å²	170	136 Å²	136	79%	0.794	72%	0.716	S	S	*	*			trans	-74.5	80.3	168.2	-86	174.4	-6.2	0	0	108.2	N465 N469	N465-Q467 PolarHBondContact O-N 3Å; Q467-N469 PolarHBondContact O-N 2.83Å
468	S	30.2	Very low	40.7	Very low	90 Å²	90	135.3 Å²	135.3	63%	0.629	71%	0.713	S	S	*	*			trans	-55	120.7	160.9	52.4	0	0	0	0	108.2	L466 S470	L466-S468 PolarHBondContact O-N 3.48Å; S468-S470 PolarHBondContact O-N 3.19Å
469	N	31.9	Very low	43.2	Very low	170 Å²	170	132.9 Å²	132.9	91%	0.909	70%	0.697	S	S	*	*			trans	-60.2	59.7	165.7	-84.7	-24.6	0	0	0	111.2	Q467 K471	Q467-N469 PolarHBondContact O-N 2.83Å; N469-K471 PolarHBondContact O-N 3.19Å
470	S	34.3	Very low	46.2	Very low	80 Å²	80	124.2 Å²	124.2	56%	0.559	66%	0.658	S	S	*	*			trans	-67.8	103.9	167.5	57.8	0	0	0	0	106	S468 I472	S468-S470 PolarHBondContact O-N 3.19Å; S470-I472 VanDerWaalsContact C-N 3.28Å; S470-I472 WeakPolarHBondContact O-CG1 3.4Å; S470-I472 PolarHBondContact O-N 3.46Å
471	K	39	Very low	48.9	Very low	193 Å²	193	119 Å²	119	84%	0.839	62%	0.621	S	S	*	*			trans	-40.5	103	154.6	-77.2	174.2	174.9	176.5	0	106.2	N469 N473	N469-K471 PolarHBondContact O-N 3.19Å; K471-N473 PolarHBondContact O-N 2.68Å
472	I	45.4	Very low	51.9	Low	110 Å²	110	109.4 Å²	109.4	56%	0.564	58%	0.577	S	S	*	*			trans	-66.2	113.3	-171.8	-50.1	174.6	0	0	0	104.1	S470 E474	S470-I472 VanDerWaalsContact C-N 3.28Å; S470-I472 WeakPolarHBondContact O-CG1 3.4Å; S470-I472 PolarHBondContact O-N 3.46Å; I472-E474 HydrophobicContact CB-CG 3.88Å; I472-E474 HydrophobicContact CG2-CG 3.33Å; I472-E474 PolarHBondContact O-N 3Å
473	N	46	Very low	55.1	Low	147 Å²	147	101.9 Å²	101.9	79%	0.786	54%	0.543	S	S	*	.			trans	-73.4	65.1	175.9	-76.4	-32.7	0	0	0	107.8	K471 S475	K471-N473 PolarHBondContact O-N 2.68Å; N473-S475 PolarHBondContact O-N 2.67Å; N473-S475 PolarHBondContact O-OG 3.02Å
474	E	57.4	Low	58.1	Low	50 Å²	50	96.4 Å²	96.4	23%	0.234	51%	0.508	C	S	.	.			trans	-72.6	85.3	176.9	-60.2	178.6	157.4	0	0	107.6	I472 Y483 F525	I472-E474 HydrophobicContact CB-CG 3.88Å; I472-E474 HydrophobicContact CG2-CG 3.33Å; I472-E474 PolarHBondContact O-N 3Å; E474-Y483 HydrophobicContact CB-CE2 4.41Å; E474-Y483 HydrophobicContact CG-CE2 4.26Å; E474-F525 HydrophobicContact CB-CD1 4.37Å; E474-F525 HydrophobicContact CB-CE1 3.74Å; E474-F525 HydrophobicContact CG-CE1 4.46Å; E474-F525 WeakPolarHBondContact OE2-CD1 3.35Å; E474-F525 WeakPolarHBondContact OE2-CE1 3.32Å
475	S	68.5	Low	61.2	Low	85 Å²	85	93.4 Å²	93.4	59%	0.594	49%	0.487	S	S	*	.			trans	-71.2	135	177.4	-59.3	0	0	0	0	108.4	N473 V477 N527	N473-S475 PolarHBondContact O-N 2.67Å; N473-S475 PolarHBondContact O-OG 3.02Å; S475-V477 WeakPolarHBondContact O-CG2 3.29Å; S475-N527 PolarHBondContact O-ND2 3.06Å
476	Y	77.5	Confident	63.9	Low	163 Å²	163	88.7 Å²	88.7	64%	0.639	47%	0.472	S	S	*	.			trans	-58.6	138	171.7	-67.9	-86.7	0	0	0	110.2	F525 N527	Y476-F525 HydrophobicContact CE1-CZ 4.27Å; Y476-N527 WeakPolarHBondContact CA-O 3.32Å
477	V	80.1	Confident	66.8	Low	54 Å²	54	87.8 Å²	87.8	33%	0.327	46%	0.459	S	S	.	.			trans	-118.2	144.5	-178.5	-172.9	0	0	0	0	109.5	S475 E479 N527 G528 N529	S475-V477 WeakPolarHBondContact O-CG2 3.29Å; V477-E479 HydrophobicContact CG1-CB 4.04Å; V477-E479 HydrophobicContact CG1-CG 4.38Å; V477-E479 PolarHBondContact O-N 3.44Å; V477-N527 PolarHBondContact N-O 2.75Å; V477-G528 CarbonylContact O-C 3.6Å; V477-G528 WeakPolarHBondContact O-CA 3.43Å; V477-N529 PolarHBondContact O-N 3.43Å
478	N	78.9	Confident	69.5	Low	141 Å²	141	82.6 Å²	82.6	75%	0.754	44%	0.435	S	S	*	.	S	Bend	trans	-81.3	19	177.4	-76.2	40.8	0	0	0	113.6	N529	N478-N529 VanDerWaalsContact C-CG 3.4Å; N478-N529 VanDerWaalsContact C-ND2 3.27Å; N478-N529 VanDerWaalsContact C-OD1 3.28Å; N478-N529 PolarHBondContact O-ND2 3.26Å; N478-N529 PolarHBondContact O-OD1 2.78Å
479	E	82.1	Confident	72.1	Confident	110 Å²	110	78.3 Å²	78.3	51%	0.514	41%	0.405	S	S	.	.	S	Bend	trans	-127.5	160.6	179.4	-62.9	-177.1	169.1	0	0	108.7	V477 S481 G528 N529	V477-E479 HydrophobicContact CG1-CB 4.04Å; V477-E479 HydrophobicContact CG1-CG 4.38Å; V477-E479 PolarHBondContact O-N 3.44Å; E479-S481 PolarHBondContact O-N 3.23Å; E479-G528 WeakPolarHBondContact O-CA 3.39Å; E479-N529 PolarHBondContact N-OD1 2.84Å
480	P	84.6	Confident	74.4	Confident	15 Å²	15	73.2 Å²	73.2	10%	0.097	38%	0.377	C	S	.	.			trans	-58.4	124.8	172	-15.3	27.5	0	0	0	109.2	W491 V530 P594 F596	P480-W491 HydrophobicContact CB-CB 3.88Å; P480-W491 HydrophobicContact CB-CD2 4.38Å; P480-W491 HydrophobicContact CB-CG 3.84Å; P480-W491 HydrophobicContact CG-CB 4.2Å; P480-W491 HydrophobicContact CG-CD2 3.75Å; P480-W491 HydrophobicContact CG-CE3 4.2Å; P480-W491 HydrophobicContact CG-CG 3.75Å; P480-W491 WeakPolarHBondContact O-CB 3.46Å; P480-V530 HydrophobicContact CB-CB 4.2Å; P480-V530 HydrophobicContact CB-CG2 4.48Å; P480-V530 HydrophobicContact CG-CB 4.11Å; P480-V530 HydrophobicContact CG-CG2 3.89Å; P480-P594 HydrophobicContact CB-CG 3.93Å; P480-P594 HydrophobicContact CG-CG 4.28Å; P480-F596 HydrophobicContact CB-CE1 4.08Å; P480-F596 HydrophobicContact CB-CZ 4.21Å
481	S	87.8	Confident	76.4	Confident	4 Å²	4	74.2 Å²	74.2	3%	0.028	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	133	-175.6	-179.2	0	0	0	0	109.2	E479 H488 N526 N527 G528	E479-S481 PolarHBondContact O-N 3.23Å; S481-H488 PolarHBondContact OG-CD2 2.85Å; S481-H488 PolarHBondContact OG-NE2 2.78Å; S481-N526 PolarHBondContact O-OD1 3.06Å; S481-N526 VanDerWaalsContact O-OD1 3.05Å; S481-N527 VanDerWaalsContact C-OD1 3.25Å; S481-N527 WeakPolarHBondContact CB-OD1 3.09Å; S481-N527 PolarHBondContact O-N 3Å; S481-N527 PolarHBondContact O-OD1 2.88Å; S481-N527 VanDerWaalsContact OG-CG 3.25Å; S481-N527 PolarHBondContact OG-ND2 2.89Å; S481-N527 VanDerWaalsContact OG-ND2 3.16Å; S481-N527 PolarHBondContact OG-OD1 3.28Å; S481-G528 PolarHBondContact O-N 2.79Å
482	L	90.4	Very high	77.7	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.8	-177.6	179.9	61.7	0	0	0	109.6	L489 L524 F525 N526 I532 I564 F590 T592 F596	L482-L489 HydrophobicContact CB-CB 4.28Å; L482-L489 HydrophobicContact CB-CD1 4.18Å; L482-L489 HydrophobicContact CD2-CD1 3.79Å; L482-L489 HydrophobicContact CG-CD1 3.98Å; L482-L489 PolarHBondContact N-O 3.03Å; L482-L489 WeakPolarHBondContact O-CA 3.32Å; L482-L489 VanDerWaalsContact O-CB 3.24Å; L482-L489 WeakPolarHBondContact O-CB 3.19Å; L482-L489 WeakPolarHBondContact O-CG 3.42Å; L482-L489 PolarHBondContact O-N 3.07Å; L482-L524 HydrophobicContact CD1-CB 4.48Å; L482-F525 CarbonylContact C-O 3.48Å; L482-F525 WeakPolarHBondContact CA-O 3.42Å; L482-F525 WeakPolarHBondContact CD1-O 3.5Å; L482-N526 HydrophobicContact CD1-CB 4.42Å; L482-I532 HydrophobicContact CB-CD1 3.78Å; L482-I532 HydrophobicContact CD1-CD1 4.2Å; L482-I532 HydrophobicContact CD2-CD1 4.33Å; L482-I532 HydrophobicContact CD2-CG2 4.32Å; L482-I532 HydrophobicContact CG-CD1 4.32Å; L482-I564 HydrophobicContact CD1-CD1 4.13Å; L482-F590 HydrophobicContact CD2-CE1 3.9Å; L482-F590 HydrophobicContact CD2-CZ 4.13Å; L482-T592 HydrophobicContact CD2-CG2 4.27Å; L482-F596 HydrophobicContact CB-CD2 4.45Å; L482-F596 HydrophobicContact CB-CE2 3.91Å; L482-F596 HydrophobicContact CB-CZ 3.95Å; L482-F596 HydrophobicContact CD2-CD2 4.48Å; L482-F596 HydrophobicContact CD2-CE2 4.15Å
483	Y	90.4	Very high	78.2	Confident	39 Å²	39	68 Å²	68	15%	0.153	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.9	165.8	-75.4	-94	0	0	0	109.4	E474 Y487 H488 L524 F525 N527	E474-Y483 HydrophobicContact CB-CE2 4.41Å; E474-Y483 HydrophobicContact CG-CE2 4.26Å; Y483-Y487 CarbonylContact C-O 3.57Å; Y483-Y487 WeakPolarHBondContact CA-O 3.43Å; Y483-H488 HydrophobicContact CD1-CB 3.98Å; Y483-H488 HydrophobicContact CE1-CB 3.49Å; Y483-H488 VanDerWaalsContact CE1-CB 3.49Å; Y483-H488 AromaticContact CE1-CG 3.92Å; Y483-H488 AromaticContact CE2-CD2 3.71Å; Y483-H488 AromaticContact CZ-CD2 3.63Å; Y483-H488 AromaticContact CZ-CG 3.77Å; Y483-L524 CarbonylContact O-C 3.58Å; Y483-L524 WeakPolarHBondContact O-CA 3.32Å; Y483-F525 HydrophobicContact CD2-CD1 4.02Å; Y483-F525 PolarHBondContact N-O 2.72Å; Y483-F525 PolarHBondContact O-N 3.11Å; Y483-N527 HydrophobicContact CD2-CB 4.21Å; Y483-N527 WeakPolarHBondContact CD2-OD1 3.08Å; Y483-N527 HydrophobicContact CE2-CB 4.17Å; Y483-N527 VanDerWaalsContact CE2-CG 3.43Å; Y483-N527 WeakPolarHBondContact CE2-OD1 3.41Å
484	L	89.3	Confident	78.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	109.1	171.9	-165.6	148.3	0	0	0	108.6	G486 Y487 L489 I506 I522 E523 L524 F590 V604	L484-G486 PolarHBondContact O-N 3.22Å; L484-Y487 PolarHBondContact N-O 3.22Å; L484-Y487 VanDerWaalsContact O-CB 3.29Å; L484-Y487 WeakPolarHBondContact O-CB 3.19Å; L484-Y487 WeakPolarHBondContact O-CD2 2.96Å; L484-Y487 PolarHBondContact O-N 3.17Å; L484-L489 HydrophobicContact CB-CD1 4.1Å; L484-L489 HydrophobicContact CB-CG 4.46Å; L484-I506 HydrophobicContact CB-CD1 4.44Å; L484-I506 HydrophobicContact CD2-CD1 3.28Å; L484-I506 HydrophobicContact CD2-CG1 4.47Å; L484-I506 HydrophobicContact CD2-CG2 4.36Å; L484-I506 HydrophobicContact CG-CD1 4.36Å; L484-I522 HydrophobicContact CD2-CG2 4.06Å; L484-I522 HydrophobicContact CG-CG2 4.14Å; L484-E523 CarbonylContact C-O 3.57Å; L484-E523 WeakPolarHBondContact CA-O 3.3Å; L484-L524 HydrophobicContact CB-CD2 4.06Å; L484-L524 HydrophobicContact CD1-CD2 3.43Å; L484-L524 VanDerWaalsContact CD1-CD2 3.43Å; L484-L524 HydrophobicContact CG-CD2 3.48Å; L484-L524 VanDerWaalsContact CG-CD2 3.48Å; L484-F590 HydrophobicContact CD1-CD1 3.55Å; L484-F590 HydrophobicContact CD1-CD2 4.3Å; L484-F590 HydrophobicContact CD1-CE1 3.57Å; L484-F590 HydrophobicContact CD1-CE2 4.31Å; L484-F590 HydrophobicContact CD1-CG 3.92Å; L484-F590 HydrophobicContact CD1-CZ 3.96Å; L484-V604 HydrophobicContact CD2-CG2 4.4Å
485	N	86.9	Confident	78.2	Confident	59 Å²	59	68.9 Å²	68.9	32%	0.316	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	41	-175.5	-123.8	37.8	0	0	0	112.9	Y487 Y521 E523	N485-Y487 VanDerWaalsContact C-N 3.29Å; N485-Y487 PolarHBondContact O-N 3.16Å; N485-Y521 PolarHBondContact OD1-O 3.28Å; N485-E523 PolarHBondContact N-O 3.16Å; N485-E523 PolarHBondContact OD1-N 2.96Å; N485-E523 VanDerWaalsContact OD1-N 3.1Å
486	G	84.2	Confident	77.4	Confident	41 Å²	41	70.2 Å²	70.2	42%	0.423	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-7.7	-175	0	0	0	0	0	115.6	L484 H488	L484-G486 PolarHBondContact O-N 3.22Å; G486-H488 PolarHBondContact O-N 2.89Å
487	Y	87.1	Confident	76.1	Confident	123 Å²	123	69.4 Å²	69.4	48%	0.482	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.9	173.3	-67.2	-91.6	0	0	0	110.9	Y483 L484 N485 L489 I506	Y483-Y487 CarbonylContact C-O 3.57Å; Y483-Y487 WeakPolarHBondContact CA-O 3.43Å; L484-Y487 PolarHBondContact N-O 3.22Å; L484-Y487 VanDerWaalsContact O-CB 3.29Å; L484-Y487 WeakPolarHBondContact O-CB 3.19Å; L484-Y487 WeakPolarHBondContact O-CD2 2.96Å; L484-Y487 PolarHBondContact O-N 3.17Å; N485-Y487 VanDerWaalsContact C-N 3.29Å; N485-Y487 PolarHBondContact O-N 3.16Å; Y487-L489 PolarHBondContact O-N 2.97Å; Y487-I506 HydrophobicContact CD2-CD1 3.7Å; Y487-I506 HydrophobicContact CD2-CG1 3.77Å; Y487-I506 HydrophobicContact CE2-CD1 4.31Å; Y487-I506 HydrophobicContact CE2-CG1 3.87Å; Y487-I506 HydrophobicContact CE2-CG2 4.45Å; Y487-I506 HydrophobicContact CG-CD1 4.01Å; Y487-I506 HydrophobicContact CG-CG1 4.24Å
488	H	86.6	Confident	74.9	Confident	61 Å²	61	69.9 Å²	69.9	28%	0.282	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.3	-180	-174	-145.5	0	0	0	112.3	S481 Y483 G486 N490	S481-H488 PolarHBondContact OG-CD2 2.85Å; S481-H488 PolarHBondContact OG-NE2 2.78Å; Y483-H488 HydrophobicContact CD1-CB 3.98Å; Y483-H488 HydrophobicContact CE1-CB 3.49Å; Y483-H488 VanDerWaalsContact CE1-CB 3.49Å; Y483-H488 AromaticContact CE1-CG 3.92Å; Y483-H488 AromaticContact CE2-CD2 3.71Å; Y483-H488 AromaticContact CZ-CD2 3.63Å; Y483-H488 AromaticContact CZ-CG 3.77Å; G486-H488 PolarHBondContact O-N 2.89Å; H488-N490 VanDerWaalsContact CE1-CG 3.48Å; H488-N490 PolarHBondContact CE1-OD1 3.34Å; H488-N490 PolarHBondContact ND1-ND2 3.23Å; H488-N490 VanDerWaalsContact ND1-ND2 3.17Å; H488-N490 PolarHBondContact ND1-OD1 3.2Å
489	L	85.3	Confident	73.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	107.1	173.9	-45.3	179	0	0	0	108.9	L482 L484 Y487 I504 F590 F596 I602	L482-L489 HydrophobicContact CB-CB 4.28Å; L482-L489 HydrophobicContact CB-CD1 4.18Å; L482-L489 HydrophobicContact CD2-CD1 3.79Å; L482-L489 HydrophobicContact CG-CD1 3.98Å; L482-L489 PolarHBondContact N-O 3.03Å; L482-L489 WeakPolarHBondContact O-CA 3.32Å; L482-L489 VanDerWaalsContact O-CB 3.24Å; L482-L489 WeakPolarHBondContact O-CB 3.19Å; L482-L489 WeakPolarHBondContact O-CG 3.42Å; L482-L489 PolarHBondContact O-N 3.07Å; L484-L489 HydrophobicContact CB-CD1 4.1Å; L484-L489 HydrophobicContact CB-CG 4.46Å; Y487-L489 PolarHBondContact O-N 2.97Å; L489-I504 HydrophobicContact CD2-CD1 3.71Å; L489-F590 HydrophobicContact CD1-CE1 4.31Å; L489-F596 HydrophobicContact CB-CB 3.94Å; L489-F596 HydrophobicContact CB-CD1 4.2Å; L489-F596 HydrophobicContact CB-CD2 4.38Å; L489-F596 HydrophobicContact CB-CG 3.93Å; L489-F596 WeakPolarHBondContact O-CD1 3.45Å; L489-I602 HydrophobicContact CD1-CD1 3.88Å; L489-I602 HydrophobicContact CD2-CD1 4.08Å
490	N	79.8	Confident	72.1	Confident	62 Å²	62	68.4 Å²	68.4	33%	0.332	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.1	-177.8	-76.5	-80.5	0	0	0	111.1	H488 Q492 Q597	H488-N490 VanDerWaalsContact CE1-CG 3.48Å; H488-N490 PolarHBondContact CE1-OD1 3.34Å; H488-N490 PolarHBondContact ND1-ND2 3.23Å; H488-N490 VanDerWaalsContact ND1-ND2 3.17Å; H488-N490 PolarHBondContact ND1-OD1 3.2Å; N490-Q492 HydrophobicContact CB-CG 4.2Å; N490-Q492 PolarHBondContact O-N 3.3Å; N490-Q597 PolarHBondContact O-N 3.31Å; N490-Q597 VanDerWaalsContact O-N 3.08Å; N490-Q597 PolarHBondContact O-OE1 2.86Å
491	W	76	Confident	70.9	Confident	102 Å²	102	74.4 Å²	74.4	39%	0.386	41%	0.411	S	S	.	.			trans	-79.7	99.5	168.6	-173.9	75.1	0	0	0	109.4	P480 F596	P480-W491 HydrophobicContact CB-CB 3.88Å; P480-W491 HydrophobicContact CB-CD2 4.38Å; P480-W491 HydrophobicContact CB-CG 3.84Å; P480-W491 HydrophobicContact CG-CB 4.2Å; P480-W491 HydrophobicContact CG-CD2 3.75Å; P480-W491 HydrophobicContact CG-CE3 4.2Å; P480-W491 HydrophobicContact CG-CG 3.75Å; P480-W491 WeakPolarHBondContact O-CB 3.46Å; W491-F596 HydrophobicContact CB-CD1 4.05Å; W491-F596 HydrophobicContact CB-CE1 3.96Å
492	Q	67.5	Low	69.9	Low	70 Å²	70	81.9 Å²	81.9	33%	0.327	45%	0.45	S	S	.	.			trans	-108	126.8	176.9	-67.7	-178.8	8.3	0	0	109.6	N490	N490-Q492 HydrophobicContact CB-CG 4.2Å; N490-Q492 PolarHBondContact O-N 3.3Å
493	T	56	Low	69.1	Low	103 Å²	103	83.1 Å²	83.1	63%	0.632	46%	0.462	S	S	*	.			trans	-68	131.6	162.3	-55.8	0	0	0	0	107.3	S495	T493-S495 PolarHBondContact O-N 2.9Å
494	I	53	Low	68.8	Low	138 Å²	138	83 Å²	83	71%	0.708	46%	0.464	S	S	*	.			trans	-49.7	99.8	-178.3	-57.3	164.2	0	0	0	109
495	S	49.8	Very low	68.8	Low	77 Å²	77	87 Å²	87	54%	0.538	49%	0.485	S	S	.	.			trans	-99.9	122.8	169.5	80.7	0	0	0	0	107.2	T493 N497	T493-S495 PolarHBondContact O-N 2.9Å; S495-N497 PolarHBondContact O-N 3.01Å
496	S	51.4	Low	69	Low	113 Å²	113	84.3 Å²	84.3	79%	0.79	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	0	-171.4	55.3	0	0	0	0	115.1
497	N	51.4	Low	69.3	Low	145 Å²	145	87 Å²	87	78%	0.775	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	7.7	-164.3	-65	-2.5	0	0	0	114.1	S495	S495-N497 PolarHBondContact O-N 3.01Å
498	S	54.6	Low	69.5	Low	64 Å²	64	81.4 Å²	81.4	45%	0.448	45%	0.451	S	S	.	.	S	Bend	trans	-89.9	139.1	173.9	73.2	0	0	0	0	111.7
499	S	52.3	Low	69.7	Low	88 Å²	88	83.2 Å²	83.2	62%	0.615	46%	0.462	S	S	*	.			trans	-48.5	153.2	171.8	54.1	0	0	0	0	111.4	R501	S499-R501 PolarHBondContact O-N 3.35Å
500	P	50.1	Low	70	Confident	132 Å²	132	83.3 Å²	83.3	86%	0.857	46%	0.463	S	S	*	.			trans	-54.7	103.9	178.1	23.9	-33.9	0	0	0	109.6
501	R	59	Low	70.4	Confident	141 Å²	141	87.5 Å²	87.5	53%	0.532	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-81.3	134.6	172.6	-74.3	-174.1	179.1	-142.6	-1.2	107.6	S499 L600	S499-R501 PolarHBondContact O-N 3.35Å; R501-L600 HydrophobicContact CB-CD1 3.69Å; R501-L600 WeakPolarHBondContact O-CD1 3.5Å
502	L	65.9	Low	70.7	Confident	161 Å²	161	83.1 Å²	83.1	84%	0.843	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-75.4	153.2	173.2	-68.6	156.8	0	0	0	109
503	G	75.2	Confident	71.2	Confident	26 Å²	26	87 Å²	87	27%	0.268	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-57.8	162.4	168.5	0	0	0	0	0	111.3	P601	G503-P601 WeakPolarHBondContact CA-O 3.43Å
504	I	83.2	Confident	72.1	Confident	37 Å²	37	83.9 Å²	83.9	19%	0.19	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.7	177.5	-63	-177.5	0	0	0	107.9	L489 I506 Q597 P601 I602 C603	L489-I504 HydrophobicContact CD2-CD1 3.71Å; I504-I506 HydrophobicContact CG2-CD1 3.79Å; I504-I506 HydrophobicContact CG2-CG1 3.86Å; I504-Q597 HydrophobicContact CD1-CG 3.83Å; I504-Q597 VanDerWaalsContact CD1-NE2 3.31Å; I504-Q597 HydrophobicContact CG1-CG 4.42Å; I504-P601 PolarHBondContact N-O 2.99Å; I504-I602 HydrophobicContact CB-CG2 4.47Å; I504-I602 WeakPolarHBondContact O-CA 3.26Å; I504-C603 PolarHBondContact O-N 3.45Å
505	D	89.1	Confident	72.8	Confident	83 Å²	83	80.6 Å²	80.6	44%	0.444	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.3	174	-70.3	-58.7	0	0	0	109.4	C603 H605	D505-C603 CarbonylContact C-O 3.58Å; D505-C603 WeakPolarHBondContact CA-O 3.44Å; D505-C603 VanDerWaalsContact OD1-CB 3.3Å; D505-C603 WeakPolarHBondContact OD1-CB 2.95Å; D505-H605 IonicContact OD1-CD2 3.16Å; D505-H605 IonicContact OD1-CE1 2.88Å; D505-H605 IonicContact OD1-NE2 3.94Å; D505-H605 PolarHBondContact OD1-NE2 3.18Å
506	I	90.5	Very high	74	Confident	3 Å²	3	82.6 Å²	82.6	2%	0.015	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131	-179.4	-68.9	164	0	0	0	108.2	L484 Y487 I504 C603 V604 H605	L484-I506 HydrophobicContact CB-CD1 4.44Å; L484-I506 HydrophobicContact CD2-CD1 3.28Å; L484-I506 HydrophobicContact CD2-CG1 4.47Å; L484-I506 HydrophobicContact CD2-CG2 4.36Å; L484-I506 HydrophobicContact CG-CD1 4.36Å; Y487-I506 HydrophobicContact CD2-CD1 3.7Å; Y487-I506 HydrophobicContact CD2-CG1 3.77Å; Y487-I506 HydrophobicContact CE2-CD1 4.31Å; Y487-I506 HydrophobicContact CE2-CG1 3.87Å; Y487-I506 HydrophobicContact CE2-CG2 4.45Å; Y487-I506 HydrophobicContact CG-CD1 4.01Å; Y487-I506 HydrophobicContact CG-CG1 4.24Å; I504-I506 HydrophobicContact CG2-CD1 3.79Å; I504-I506 HydrophobicContact CG2-CG1 3.86Å; I506-C603 PolarHBondContact N-O 3.42Å; I506-V604 HydrophobicContact CB-CG1 4.39Å; I506-V604 HydrophobicContact CB-CG2 4.49Å; I506-V604 HydrophobicContact CG2-CG1 4.26Å; I506-V604 CarbonylContact O-C 3.58Å; I506-V604 WeakPolarHBondContact O-CA 3.34Å; I506-H605 PolarHBondContact O-N 3.34Å
507	H	91.2	Very high	75.4	Confident	97 Å²	97	82.1 Å²	82.1	45%	0.449	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.2	-172.5	-70.2	-107.2	0	0	0	110.2	H605 H607	H507-H605 WeakPolarHBondContact CA-O 3.46Å; H507-H607 AromaticContact CE1-CE1 3.76Å; H507-H607 AromaticContact ND1-CE1 3.2Å; H507-H607 PolarHBondContact ND1-CE1 3.17Å; H507-H607 AromaticContact ND1-ND1 3.73Å
508	L	90.9	Very high	77	Confident	7 Å²	7	77.7 Å²	77.7	4%	0.037	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.1	167.3	-59.8	-179	0	0	0	108.3	F510 I522 I574 V604 H605 F606 H607	L508-F510 HydrophobicContact CB-CE2 3.86Å; L508-F510 HydrophobicContact CB-CZ 4.47Å; L508-I522 HydrophobicContact CD1-CD1 3.87Å; L508-I522 HydrophobicContact CD1-CG1 3.72Å; L508-I574 HydrophobicContact CD1-CD1 3.31Å; L508-V604 HydrophobicContact CD1-CG1 4.41Å; L508-V604 HydrophobicContact CG-CG1 4.41Å; L508-H605 PolarHBondContact N-O 2.92Å; L508-F606 HydrophobicContact CB-CD1 4.16Å; L508-F606 HydrophobicContact CD1-CD1 3.83Å; L508-F606 HydrophobicContact CD1-CE1 3.69Å; L508-F606 HydrophobicContact CG-CD1 4.29Å; L508-F606 HydrophobicContact CG-CE1 4.48Å; L508-H607 PolarHBondContact O-N 3.28Å
509	N	91.8	Very high	78.6	Confident	98 Å²	98	77.4 Å²	77.4	52%	0.524	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.3	-173.3	-62.4	-28	0	0	0	108.8	H607	N509-H607 CarbonylContact C-O 3.52Å; N509-H607 VanDerWaalsContact CA-O 3.31Å; N509-H607 WeakPolarHBondContact CA-O 3.22Å
510	F	90.9	Very high	80.4	Confident	2 Å²	2	76 Å²	76	1%	0.009	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.2	178.8	-59.3	-100.5	0	0	0	109.1	L508 Q518 E520 F555 I574 L576 H607 A608 I609	L508-F510 HydrophobicContact CB-CE2 3.86Å; L508-F510 HydrophobicContact CB-CZ 4.47Å; F510-Q518 HydrophobicContact CD1-CG 4.17Å; F510-E520 HydrophobicContact CD1-CG 4.05Å; F510-E520 HydrophobicContact CE1-CB 3.7Å; F510-E520 HydrophobicContact CE1-CG 3.58Å; F510-E520 HydrophobicContact CZ-CB 3.9Å; F510-E520 HydrophobicContact CZ-CG 4.12Å; F510-F555 HydrophobicContact CD2-CD1 4.29Å; F510-F555 AromaticContact CD2-CE1 3.65Å; F510-F555 HydrophobicContact CD2-CE1 3.65Å; F510-F555 HydrophobicContact CE2-CD1 4.1Å; F510-F555 AromaticContact CE2-CE1 3.86Å; F510-F555 HydrophobicContact CE2-CE1 3.86Å; F510-F555 HydrophobicContact CG-CE1 4.41Å; F510-I574 HydrophobicContact CE2-CG2 4.29Å; F510-I574 HydrophobicContact CZ-CB 4.14Å; F510-I574 HydrophobicContact CZ-CG2 3.65Å; F510-L576 HydrophobicContact CB-CB 4.41Å; F510-L576 HydrophobicContact CB-CD2 3.55Å; F510-L576 HydrophobicContact CD1-CB 3.83Å; F510-L576 HydrophobicContact CD1-CD2 4.47Å; F510-L576 HydrophobicContact CE1-CB 4.32Å; F510-L576 HydrophobicContact CG-CB 4.17Å; F510-L576 HydrophobicContact CG-CD2 4.21Å; F510-H607 WeakPolarHBondContact CD2-O 3.25Å; F510-H607 PolarHBondContact N-O 3.49Å; F510-A608 HydrophobicContact CB-CB 3.93Å; F510-A608 CarbonylContact O-C 3.59Å; F510-A608 VanDerWaalsContact O-CA 3.29Å; F510-A608 WeakPolarHBondContact O-CA 3.26Å; F510-I609 PolarHBondContact O-N 2.79Å
511	E	88	Confident	82.3	Confident	151 Å²	151	76.3 Å²	76.3	71%	0.706	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	110.4	176	-70.6	-177.7	-179	0	0	107.8	Q518	E511-Q518 PolarHBondContact O-OE1 3.31Å
512	N	83.1	Confident	83.9	Confident	10 Å²	10	69.7 Å²	69.7	5%	0.053	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108.4	-170.4	-165.2	24.5	0	0	0	111.8	S514 I516 L576 S578 I609 S610 V611	N512-S514 PolarHBondContact ND2-O 2.94Å; N512-S514 PolarHBondContact OD1-O 3.03Å; N512-I516 PolarHBondContact OD1-O 3.12Å; N512-L576 HydrophobicContact CB-CD2 3.92Å; N512-S578 PolarHBondContact ND2-OG 3.23Å; N512-I609 PolarHBondContact N-O 2.68Å; N512-S610 WeakPolarHBondContact O-CA 3.21Å; N512-V611 PolarHBondContact O-N 2.95Å
513	E	78.5	Confident	85.1	Confident	150 Å²	150	65.6 Å²	65.6	70%	0.701	34%	0.335	S	S	*	.	S	Bend	trans	-90.5	-2.6	-178.8	-64	-172	163.9	0	0	114	V611 P613	E513-V611 VanDerWaalsContact CA-O 3.28Å; E513-V611 WeakPolarHBondContact CA-O 3.37Å; E513-P613 WeakPolarHBondContact O-CD 3.27Å
514	S	73.8	Confident	85.9	Confident	38 Å²	38	64.3 Å²	64.3	27%	0.266	32%	0.322	S	S	.	.	S	Bend	trans	-148.8	166.1	179.9	66.4	0	0	0	0	110.7	N512 I516 W612	N512-S514 PolarHBondContact ND2-O 2.94Å; N512-S514 PolarHBondContact OD1-O 3.03Å; S514-I516 PolarHBondContact O-N 2.75Å; S514-I516 VanDerWaalsContact OG-CB 3.3Å; S514-I516 WeakPolarHBondContact OG-CB 3.21Å; S514-I516 WeakPolarHBondContact OG-CD1 3.49Å; S514-I516 VanDerWaalsContact OG-CG1 3.22Å; S514-I516 WeakPolarHBondContact OG-CG1 3.47Å; S514-I516 PolarHBondContact OG-N 3.26Å; S514-W612 VanDerWaalsContact CA-CD1 3.43Å; S514-W612 VanDerWaalsContact N-CD1 3.29Å; S514-W612 PolarHBondContact O-NE1 3.26Å; S514-W612 VanDerWaalsContact O-NE1 3.14Å
515	P	69	Low	86.3	Confident	70 Å²	70	63.1 Å²	63.1	46%	0.455	32%	0.316	S	S	.	.	S	Bend	trans	-69.5	9.5	173.4	27.9	-35.3	0	0	0	113.9	W612	P515-W612 HydrophobicContact CB-CH2 4.07Å; P515-W612 HydrophobicContact CB-CZ2 3.95Å
516	I	73.4	Confident	86.5	Confident	118 Å²	118	59.2 Å²	59.2	61%	0.605	30%	0.295	S	S	*	.	S	Bend	trans	-70.7	148	179.2	-58.9	173.6	0	0	0	109.8	N512 S514	N512-I516 PolarHBondContact OD1-O 3.12Å; S514-I516 PolarHBondContact O-N 2.75Å; S514-I516 VanDerWaalsContact OG-CB 3.3Å; S514-I516 WeakPolarHBondContact OG-CB 3.21Å; S514-I516 WeakPolarHBondContact OG-CD1 3.49Å; S514-I516 VanDerWaalsContact OG-CG1 3.22Å; S514-I516 WeakPolarHBondContact OG-CG1 3.47Å; S514-I516 PolarHBondContact OG-N 3.26Å
517	L	80.9	Confident	86.5	Confident	103 Å²	103	59.1 Å²	59.1	54%	0.539	29%	0.294	S	S	.	.			trans	-69.6	127.8	176.3	-63	169.8	0	0	0	110.3	T575 K577	L517-T575 HydrophobicContact CB-CG2 4.23Å; L517-T575 HydrophobicContact CD2-CG2 4.1Å; L517-K577 HydrophobicContact CD2-CB 3.43Å; L517-K577 VanDerWaalsContact CD2-CB 3.43Å; L517-K577 HydrophobicContact CD2-CD 3.83Å; L517-K577 HydrophobicContact CD2-CG 3.47Å; L517-K577 VanDerWaalsContact CD2-CG 3.47Å
518	Q	84.7	Confident	86.3	Confident	52 Å²	52	54.7 Å²	54.7	24%	0.243	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.6	170.2	-174.6	-178.6	-0.1	0	0	109.1	F510 E511 T575 L576	F510-Q518 HydrophobicContact CD1-CG 4.17Å; E511-Q518 PolarHBondContact O-OE1 3.31Å; Q518-T575 CarbonylContact O-C 3.35Å; Q518-T575 WeakPolarHBondContact O-CA 3.43Å; Q518-L576 HydrophobicContact CB-CB 4.49Å; Q518-L576 PolarHBondContact N-O 2.84Å; Q518-L576 PolarHBondContact O-N 3.32Å
519	T	89.7	Confident	86.1	Confident	58 Å²	58	58.2 Å²	58.2	36%	0.356	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.3	178.5	-55.8	0	0	0	0	110.2	Y521 P573 I574 T575	T519-Y521 HydrophobicContact CG2-CE2 4.31Å; T519-P573 HydrophobicContact CG2-CB 3.76Å; T519-I574 CarbonylContact C-O 3.51Å; T519-I574 VanDerWaalsContact CA-O 3.32Å; T519-I574 WeakPolarHBondContact CA-O 3.38Å; T519-T575 PolarHBondContact OG1-OG1 2.95Å
520	E	89.3	Confident	85.9	Confident	60 Å²	60	56.1 Å²	56.1	28%	0.28	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	167.2	168.6	-70.2	-162.7	156.8	0	0	110.2	F510 P573 I574	F510-E520 HydrophobicContact CD1-CG 4.05Å; F510-E520 HydrophobicContact CE1-CB 3.7Å; F510-E520 HydrophobicContact CE1-CG 3.58Å; F510-E520 HydrophobicContact CZ-CB 3.9Å; F510-E520 HydrophobicContact CZ-CG 4.12Å; E520-P573 CarbonylContact O-C 3.56Å; E520-P573 WeakPolarHBondContact O-CA 3.36Å; E520-I574 PolarHBondContact N-O 3.39Å; E520-I574 PolarHBondContact O-N 3.06Å
521	Y	90	Very high	85.8	Confident	138 Å²	138	59.6 Å²	59.6	54%	0.541	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.4	-177.7	-63.4	-95.8	0	0	0	110.7	N485 T519 H571 L572 P573	N485-Y521 PolarHBondContact OD1-O 3.28Å; T519-Y521 HydrophobicContact CG2-CE2 4.31Å; Y521-H571 HydrophobicContact CD1-CB 4.25Å; Y521-L572 CarbonylContact C-O 3.57Å; Y521-L572 WeakPolarHBondContact CA-O 3.49Å; Y521-P573 HydrophobicContact CD1-CB 3.92Å; Y521-P573 HydrophobicContact CE1-CB 3.65Å; Y521-P573 HydrophobicContact CE1-CG 4.44Å
522	I	91.9	Very high	86	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.2	161.9	-65.9	178.3	0	0	0	107.9	L484 L508 L524 W536 H571 L572 I574 V604 F606	L484-I522 HydrophobicContact CD2-CG2 4.06Å; L484-I522 HydrophobicContact CG-CG2 4.14Å; L508-I522 HydrophobicContact CD1-CD1 3.87Å; L508-I522 HydrophobicContact CD1-CG1 3.72Å; I522-L524 HydrophobicContact CG2-CD2 4.11Å; I522-L524 HydrophobicContact CG2-CG 4.28Å; I522-W536 HydrophobicContact CD1-CH2 4.09Å; I522-H571 WeakPolarHBondContact O-CA 3.35Å; I522-L572 HydrophobicContact CB-CB 4.34Å; I522-L572 PolarHBondContact N-O 3.41Å; I522-L572 PolarHBondContact O-N 2.82Å; I522-I574 HydrophobicContact CD1-CD1 3.36Å; I522-I574 HydrophobicContact CG1-CD1 3.61Å; I522-V604 HydrophobicContact CD1-CG1 4Å; I522-F606 HydrophobicContact CD1-CE1 4.39Å
523	E	91.6	Very high	86.4	Confident	75 Å²	75	54 Å²	54	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.4	171.4	-170.8	175.3	-160.1	0	0	110.5	L484 N485 I569 H571	L484-E523 CarbonylContact C-O 3.57Å; L484-E523 WeakPolarHBondContact CA-O 3.3Å; N485-E523 PolarHBondContact N-O 3.16Å; N485-E523 PolarHBondContact OD1-N 2.96Å; N485-E523 VanDerWaalsContact OD1-N 3.1Å; E523-I569 HydrophobicContact CG-CG2 3.86Å; E523-I569 WeakPolarHBondContact OE1-CG2 3.09Å; E523-H571 IonicContact OE1-CE1 3.96Å; E523-H571 IonicContact OE1-NE2 2.75Å
524	L	92.5	Very high	87.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.7	171.1	-59.4	173.6	0	0	0	108.2	L482 Y483 L484 I522 I564 I569 V570 L572 F590	L482-L524 HydrophobicContact CD1-CB 4.48Å; Y483-L524 CarbonylContact O-C 3.58Å; Y483-L524 WeakPolarHBondContact O-CA 3.32Å; L484-L524 HydrophobicContact CB-CD2 4.06Å; L484-L524 HydrophobicContact CD1-CD2 3.43Å; L484-L524 VanDerWaalsContact CD1-CD2 3.43Å; L484-L524 HydrophobicContact CG-CD2 3.48Å; L484-L524 VanDerWaalsContact CG-CD2 3.48Å; I522-L524 HydrophobicContact CG2-CD2 4.11Å; I522-L524 HydrophobicContact CG2-CG 4.28Å; L524-I564 HydrophobicContact CB-CD1 3.97Å; L524-I564 HydrophobicContact CD1-CD1 3.94Å; L524-I569 CarbonylContact O-C 3.56Å; L524-I569 WeakPolarHBondContact O-CA 2.97Å; L524-V570 HydrophobicContact CB-CB 4.22Å; L524-V570 PolarHBondContact N-O 3.47Å; L524-V570 PolarHBondContact O-N 3.48Å; L524-L572 HydrophobicContact CD1-CD1 3.5Å; L524-L572 HydrophobicContact CD1-CG 4.23Å; L524-L572 HydrophobicContact CG-CD1 4.31Å; L524-F590 HydrophobicContact CD1-CE2 4.35Å; L524-F590 HydrophobicContact CD1-CZ 4.37Å; L524-F590 HydrophobicContact CD2-CE2 4.4Å; L524-F590 HydrophobicContact CD2-CZ 4Å
525	F	92.5	Very high	88.1	Confident	12 Å²	12	51.2 Å²	51.2	5%	0.053	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.1	179	169.8	-131.1	0	0	0	111.6	E474 Y476 L482 Y483 N527 I569	E474-F525 HydrophobicContact CB-CD1 4.37Å; E474-F525 HydrophobicContact CB-CE1 3.74Å; E474-F525 HydrophobicContact CG-CE1 4.46Å; E474-F525 WeakPolarHBondContact OE2-CD1 3.35Å; E474-F525 WeakPolarHBondContact OE2-CE1 3.32Å; Y476-F525 HydrophobicContact CE1-CZ 4.27Å; L482-F525 CarbonylContact C-O 3.48Å; L482-F525 WeakPolarHBondContact CA-O 3.42Å; L482-F525 WeakPolarHBondContact CD1-O 3.5Å; Y483-F525 HydrophobicContact CD2-CD1 4.02Å; Y483-F525 PolarHBondContact N-O 2.72Å; Y483-F525 PolarHBondContact O-N 3.11Å; F525-N527 HydrophobicContact CD1-CB 3.93Å; F525-N527 HydrophobicContact CE1-CB 3.38Å; F525-N527 HydrophobicContact CE2-CB 4.41Å; F525-N527 HydrophobicContact CZ-CB 3.66Å; F525-N527 PolarHBondContact O-N 3.24Å; F525-I569 HydrophobicContact CB-CG1 4.26Å; F525-I569 HydrophobicContact CD2-CB 4.48Å; F525-I569 HydrophobicContact CD2-CD1 4.25Å; F525-I569 HydrophobicContact CD2-CG1 3.37Å; F525-I569 HydrophobicContact CE2-CD1 4.49Å; F525-I569 HydrophobicContact CE2-CG1 3.94Å; F525-I569 HydrophobicContact CG-CG1 4.06Å
526	N	92.3	Very high	89.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.			trans	-84.4	92.7	174.4	-176.6	-0.3	0	0	0	109.8	S481 L482 G528 V530 I532 I564 Q565 G567 D568	S481-N526 PolarHBondContact O-OD1 3.06Å; S481-N526 VanDerWaalsContact O-OD1 3.05Å; L482-N526 HydrophobicContact CD1-CB 4.42Å; N526-G528 PolarHBondContact O-N 2.99Å; N526-G528 WeakPolarHBondContact OD1-CA 3.18Å; N526-G528 PolarHBondContact OD1-N 3.16Å; N526-V530 PolarHBondContact ND2-O 3.26Å; N526-I532 HydrophobicContact CB-CD1 4.22Å; N526-I564 HydrophobicContact CB-CB 4.46Å; N526-I564 HydrophobicContact CB-CG2 3.58Å; N526-I564 PolarHBondContact ND2-O 3.42Å; N526-Q565 WeakPolarHBondContact CB-O 3.32Å; N526-Q565 VanDerWaalsContact ND2-C 3.34Å; N526-Q565 PolarHBondContact ND2-O 2.66Å; N526-Q565 VanDerWaalsContact ND2-O 3.17Å; N526-G567 WeakPolarHBondContact O-CA 3.27Å; N526-G567 PolarHBondContact O-N 2.98Å; N526-D568 PolarHBondContact N-O 2.78Å
527	N	90.1	Very high	90.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.226	C	C	.	.			trans	-84.2	2.3	174.2	75.1	-56.8	0	0	0	113.1	S475 Y476 V477 S481 Y483 F525	S475-N527 PolarHBondContact O-ND2 3.06Å; Y476-N527 WeakPolarHBondContact CA-O 3.32Å; V477-N527 PolarHBondContact N-O 2.75Å; S481-N527 VanDerWaalsContact C-OD1 3.25Å; S481-N527 WeakPolarHBondContact CB-OD1 3.09Å; S481-N527 PolarHBondContact O-N 3Å; S481-N527 PolarHBondContact O-OD1 2.88Å; S481-N527 VanDerWaalsContact OG-CG 3.25Å; S481-N527 PolarHBondContact OG-ND2 2.89Å; S481-N527 VanDerWaalsContact OG-ND2 3.16Å; S481-N527 PolarHBondContact OG-OD1 3.28Å; Y483-N527 HydrophobicContact CD2-CB 4.21Å; Y483-N527 WeakPolarHBondContact CD2-OD1 3.08Å; Y483-N527 HydrophobicContact CE2-CB 4.17Å; Y483-N527 VanDerWaalsContact CE2-CG 3.43Å; Y483-N527 WeakPolarHBondContact CE2-OD1 3.41Å; F525-N527 HydrophobicContact CD1-CB 3.93Å; F525-N527 HydrophobicContact CE1-CB 3.38Å; F525-N527 HydrophobicContact CE2-CB 4.41Å; F525-N527 HydrophobicContact CZ-CB 3.66Å; F525-N527 PolarHBondContact O-N 3.24Å
528	G	87.4	Confident	90.7	Very high	5 Å²	5	45 Å²	45	5%	0.052	22%	0.22	C	C	.	.	S	Bend	trans	-86.9	-174.6	178.1	0	0	0	0	0	113.7	V477 E479 S481 N526 P566	V477-G528 CarbonylContact O-C 3.6Å; V477-G528 WeakPolarHBondContact O-CA 3.43Å; E479-G528 WeakPolarHBondContact O-CA 3.39Å; S481-G528 PolarHBondContact O-N 2.79Å; N526-G528 PolarHBondContact O-N 2.99Å; N526-G528 WeakPolarHBondContact OD1-CA 3.18Å; N526-G528 PolarHBondContact OD1-N 3.16Å; G528-P566 WeakPolarHBondContact O-CB 3.33Å
529	N	85.9	Confident	91	Very high	80 Å²	80	45.6 Å²	45.6	43%	0.428	22%	0.224	S	C	.	.	S	Bend	trans	-107.3	3.9	177.8	66.1	-18.9	0	0	0	114.1	V477 N478 E479	V477-N529 PolarHBondContact O-N 3.43Å; N478-N529 VanDerWaalsContact C-CG 3.4Å; N478-N529 VanDerWaalsContact C-ND2 3.27Å; N478-N529 VanDerWaalsContact C-OD1 3.28Å; N478-N529 PolarHBondContact O-ND2 3.26Å; N478-N529 PolarHBondContact O-OD1 2.78Å; E479-N529 PolarHBondContact N-OD1 2.84Å
530	V	87.8	Confident	90.8	Very high	54 Å²	54	48.4 Å²	48.4	33%	0.327	24%	0.243	S	C	.	.	S	Bend	trans	-113.5	141.7	-177.6	175.5	0	0	0	0	110.2	P480 N526 P594	P480-V530 HydrophobicContact CB-CB 4.2Å; P480-V530 HydrophobicContact CB-CG2 4.48Å; P480-V530 HydrophobicContact CG-CB 4.11Å; P480-V530 HydrophobicContact CG-CG2 3.89Å; N526-V530 PolarHBondContact ND2-O 3.26Å; V530-P594 HydrophobicContact CG1-CG 4.45Å
531	L	89.7	Confident	90.4	Very high	76 Å²	76	52.1 Å²	52.1	40%	0.398	26%	0.255	S	S	.	.			trans	-67.3	127.5	172.2	177.8	158.1	0	0	0	109.8	I563	L531-I563 HydrophobicContact CD1-CG2 3.74Å; L531-I563 HydrophobicContact CD2-CG2 3.43Å; L531-I563 VanDerWaalsContact CD2-CG2 3.43Å; L531-I563 HydrophobicContact CG-CG2 3.44Å; L531-I563 VanDerWaalsContact CG-CG2 3.44Å
532	I	91.4	Very high	89.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.3	-177.5	-58.6	169.6	0	0	0	108.4	L482 N526 I563 I564 T592 F596	L482-I532 HydrophobicContact CB-CD1 3.78Å; L482-I532 HydrophobicContact CD1-CD1 4.2Å; L482-I532 HydrophobicContact CD2-CD1 4.33Å; L482-I532 HydrophobicContact CD2-CG2 4.32Å; L482-I532 HydrophobicContact CG-CD1 4.32Å; N526-I532 HydrophobicContact CB-CD1 4.22Å; I532-I563 CarbonylContact O-C 3.52Å; I532-I563 WeakPolarHBondContact O-CA 3.35Å; I532-I564 PolarHBondContact N-O 3.2Å; I532-I564 PolarHBondContact O-N 2.86Å; I532-T592 HydrophobicContact CG2-CG2 4.32Å; I532-F596 HydrophobicContact CD1-CE2 3.81Å; I532-F596 HydrophobicContact CD1-CZ 3.58Å; I532-F596 HydrophobicContact CG1-CE2 4.22Å; I532-F596 HydrophobicContact CG1-CZ 4.11Å; I532-F596 HydrophobicContact CG2-CE2 3.97Å
533	S	92.7	Very high	89.3	Confident	42 Å²	42	56.5 Å²	56.5	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.9	166	57.7	0	0	0	0	109.5	G562 T592 T593	S533-G562 WeakPolarHBondContact CA-O 3.37Å; S533-T592 CarbonylContact O-C 3.59Å; S533-T592 VanDerWaalsContact O-CA 3.28Å; S533-T592 WeakPolarHBondContact O-CA 3.47Å; S533-T593 PolarHBondContact N-O 3.31Å; S533-T593 PolarHBondContact O-N 3.04Å; S533-T593 WeakPolarHBondContact OG-CB 3.44Å; S533-T593 PolarHBondContact OG-O 3.04Å
534	Y	92.7	Very high	88.8	Confident	26 Å²	26	60.1 Å²	60.1	10%	0.102	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.8	178.6	68.3	-91.2	0	0	0	111.3	W536 P561 G562 I564 F590 D591	Y534-W536 AromaticContact CD2-CD1 3.9Å; Y534-W536 AromaticContact CD2-NE1 3.58Å; Y534-W536 AromaticContact CE2-CD1 3.91Å; Y534-W536 AromaticContact CE2-NE1 3.52Å; Y534-P561 VanDerWaalsContact O-CA 3.25Å; Y534-P561 WeakPolarHBondContact O-CA 3.33Å; Y534-G562 WeakPolarHBondContact CD1-O 3.28Å; Y534-G562 VanDerWaalsContact CE1-C 3.42Å; Y534-G562 PolarHBondContact N-O 3.45Å; Y534-G562 PolarHBondContact O-N 3.12Å; Y534-I564 HydrophobicContact CD1-CD1 3.66Å; Y534-I564 HydrophobicContact CD1-CG1 3.66Å; Y534-I564 HydrophobicContact CE1-CD1 3.9Å; Y534-I564 HydrophobicContact CE1-CG1 3.61Å; Y534-F590 AromaticContact CD2-CE2 3.83Å; Y534-F590 HydrophobicContact CD2-CE2 3.83Å; Y534-F590 AromaticContact CG-CE2 3.84Å; Y534-F590 HydrophobicContact CG-CE2 3.84Å; Y534-F590 HydrophobicContact CG-CZ 4.16Å; Y534-D591 CarbonylContact C-O 3.58Å; Y534-D591 VanDerWaalsContact CA-O 3.28Å; Y534-D591 WeakPolarHBondContact CA-O 3.29Å
535	E	93.7	Very high	88.2	Confident	105 Å²	105	68.3 Å²	68.3	49%	0.491	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.2	176.1	-173.9	177.2	179.2	0	0	110.1	P561 D591	E535-P561 HydrophobicContact CB-CB 4.43Å; E535-P561 HydrophobicContact CG-CB 4.41Å; E535-D591 PolarHBondContact N-O 3.31Å; E535-D591 PolarHBondContact O-N 2.9Å
536	W	94.5	Very high	87.3	Confident	11 Å²	11	76.4 Å²	76.4	4%	0.042	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.4	178.5	-67.9	98.5	0	0	0	110.5	I522 Y534 F557 L572 W588 F590 V604	I522-W536 HydrophobicContact CD1-CH2 4.09Å; Y534-W536 AromaticContact CD2-CD1 3.9Å; Y534-W536 AromaticContact CD2-NE1 3.58Å; Y534-W536 AromaticContact CE2-CD1 3.91Å; Y534-W536 AromaticContact CE2-NE1 3.52Å; W536-F557 HydrophobicContact CB-CE2 4.46Å; W536-F557 HydrophobicContact CB-CZ 4.47Å; W536-F557 AromaticContact CD2-CE2 3.89Å; W536-F557 HydrophobicContact CD2-CE2 3.89Å; W536-F557 HydrophobicContact CD2-CZ 4.29Å; W536-F557 HydrophobicContact CE3-CE2 4.37Å; W536-F557 HydrophobicContact CE3-CZ 4.43Å; W536-F557 AromaticContact CG-CE2 3.93Å; W536-F557 HydrophobicContact CG-CE2 3.93Å; W536-F557 HydrophobicContact CG-CZ 4.34Å; W536-L572 HydrophobicContact CZ2-CD1 3.92Å; W536-W588 HydrophobicContact CB-CE3 4.15Å; W536-W588 HydrophobicContact CB-CZ3 4.39Å; W536-W588 HydrophobicContact CE3-CB 4.05Å; W536-W588 HydrophobicContact CZ3-CB 4.3Å; W536-F590 AromaticContact CD2-CD2 3.91Å; W536-F590 HydrophobicContact CD2-CD2 3.91Å; W536-F590 AromaticContact CE2-CD2 3.57Å; W536-F590 AromaticContact CE2-CE2 3.92Å; W536-F590 HydrophobicContact CE3-CB 4.21Å; W536-F590 HydrophobicContact CE3-CD2 4.02Å; W536-F590 HydrophobicContact CH2-CB 4.23Å; W536-F590 AromaticContact CH2-CD2 3.56Å; W536-F590 HydrophobicContact CH2-CD2 3.56Å; W536-F590 HydrophobicContact CH2-CE2 4.25Å; W536-F590 HydrophobicContact CH2-CG 4.19Å; W536-F590 AromaticContact CZ2-CD2 3.4Å; W536-F590 HydrophobicContact CZ2-CD2 3.4Å; W536-F590 AromaticContact CZ2-CE2 3.71Å; W536-F590 HydrophobicContact CZ2-CE2 3.71Å; W536-F590 HydrophobicContact CZ2-CG 4.43Å; W536-F590 HydrophobicContact CZ3-CB 3.88Å; W536-F590 AromaticContact CZ3-CD2 3.87Å; W536-F590 HydrophobicContact CZ3-CD2 3.87Å; W536-F590 HydrophobicContact CZ3-CG 4.3Å; W536-V604 HydrophobicContact CH2-CG2 3.93Å; W536-V604 HydrophobicContact CZ3-CB 4.18Å; W536-V604 HydrophobicContact CZ3-CG2 3.73Å
537	T	93.5	Very high	86.5	Confident	38 Å²	38	81.9 Å²	81.9	23%	0.233	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.5	175	54.9	0	0	0	0	110.9	I539 R589 D591	T537-I539 PolarHBondContact O-N 3.36Å; T537-R589 PolarHBondContact N-O 2.85Å; T537-R589 PolarHBondContact O-N 3.32Å; T537-R589 WeakPolarHBondContact OG1-CB 3.36Å; T537-R589 PolarHBondContact OG1-NE 3.11Å; T537-R589 PolarHBondContact OG1-NH2 3.02Å; T537-D591 PolarHBondContact OG1-OD2 2.77Å
538	R	91.6	Very high	85.5	Confident	110 Å²	110	88 Å²	88	42%	0.415	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	129.2	179	-164.3	175.7	-174.2	-162.2	-2.1	109.7	P540 N553 E586 W588	R538-P540 VanDerWaalsContact O-CD 3.26Å; R538-P540 WeakPolarHBondContact O-CD 3.33Å; R538-N553 VanDerWaalsContact CZ-OD1 3.26Å; R538-N553 PolarHBondContact NH1-OD1 3.14Å; R538-N553 PolarHBondContact NH2-OD1 2.71Å; R538-E586 IonicContact CZ-OE1 2.8Å; R538-E586 IonicContact CZ-OE2 3.73Å; R538-E586 IonicContact NE-OE1 2.73Å; R538-E586 IonicContact NE-OE2 2.68Å; R538-E586 PolarHBondContact NE-OE2 2.97Å; R538-E586 IonicContact NH2-OE1 2.83Å; R538-E586 PolarHBondContact NH2-OE1 3.44Å; R538-E586 IonicContact NH2-OE2 3.63Å; R538-W588 HydrophobicContact CB-CD2 4Å; R538-W588 HydrophobicContact CB-CE3 3.76Å; R538-W588 HydrophobicContact CB-CH2 3.71Å; R538-W588 HydrophobicContact CB-CZ2 3.9Å; R538-W588 HydrophobicContact CB-CZ3 3.62Å; R538-W588 HydrophobicContact CG-CD2 4.07Å; R538-W588 HydrophobicContact CG-CE3 4.35Å; R538-W588 HydrophobicContact CG-CH2 4.08Å; R538-W588 HydrophobicContact CG-CZ2 3.73Å; R538-W588 HydrophobicContact CG-CZ3 4.37Å
539	I	91.1	Very high	84.6	Confident	65 Å²	65	91.2 Å²	91.2	33%	0.333	45%	0.447	S	S	.	.			trans	-88.5	109.8	174.8	-62.8	169.2	0	0	0	108.3	T537 V587 R589	T537-I539 PolarHBondContact O-N 3.36Å; I539-V587 HydrophobicContact CB-CB 4.33Å; I539-V587 HydrophobicContact CD1-CG1 3.94Å; I539-V587 PolarHBondContact N-O 2.75Å; I539-R589 HydrophobicContact CD1-CB 4Å; I539-R589 HydrophobicContact CG1-CB 4.22Å
540	P	85.3	Confident	83.8	Confident	117 Å²	117	95.3 Å²	95.3	76%	0.76	46%	0.461	S	S	*	.			trans	-66.5	139.2	179.5	27.5	-33.8	0	0	0	110.8	R538	R538-P540 VanDerWaalsContact O-CD 3.26Å; R538-P540 WeakPolarHBondContact O-CD 3.33Å
541	R	80.5	Confident	82.8	Confident	138 Å²	138	97.7 Å²	97.7	52%	0.521	47%	0.472	S	S	.	.			trans	-97.5	143.5	180	-56.2	-176.9	90.9	-165.5	-3.6	109.9	N543 K585	R541-N543 PolarHBondContact O-N 2.83Å; R541-K585 VanDerWaalsContact NH1-CD 3.32Å; R541-K585 PolarHBondContact NH1-O 3.05Å; R541-K585 VanDerWaalsContact NH2-CE 3.3Å
542	K	80	Confident	82	Confident	175 Å²	175	97.1 Å²	97.1	76%	0.761	47%	0.47	S	S	*	.			trans	-72.1	114.9	175.7	-70	-176.7	-180	180	0	109.8	H544	K542-H544 PolarHBondContact O-N 3.47Å; K542-H544 PolarHBondContact O-ND1 2.86Å
543	N	79	Confident	81.6	Confident	56 Å²	56	100.7 Å²	100.7	30%	0.299	49%	0.489	S	S	.	.			trans	-84.9	84.9	172.3	-175.6	-8.1	0	0	0	109.7	R541 F545 E546 L547 D549	R541-N543 PolarHBondContact O-N 2.83Å; N543-F545 PolarHBondContact O-N 3.49Å; N543-F545 PolarHBondContact OD1-N 3.31Å; N543-E546 PolarHBondContact O-N 3.22Å; N543-E546 PolarHBondContact OD1-N 3.23Å; N543-L547 PolarHBondContact ND2-N 3.42Å; N543-L547 PolarHBondContact ND2-O 3.46Å; N543-L547 PolarHBondContact OD1-N 3.07Å; N543-D549 PolarHBondContact ND2-OD2 2.96Å
544	H	81	Confident	81.3	Confident	152 Å²	152	98.8 Å²	98.8	70%	0.704	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.9	-176.5	-60.1	98.2	0	0	0	114	K542	K542-H544 PolarHBondContact O-N 3.47Å; K542-H544 PolarHBondContact O-ND1 2.86Å
545	F	78.8	Confident	81.3	Confident	172 Å²	172	98.1 Å²	98.1	75%	0.754	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	5.1	-176.1	-65.2	-70.1	0	0	0	113.1	N543 L547	N543-F545 PolarHBondContact O-N 3.49Å; N543-F545 PolarHBondContact OD1-N 3.31Å; F545-L547 HydrophobicContact CB-CD1 4.29Å; F545-L547 HydrophobicContact CB-CD2 4.38Å; F545-L547 HydrophobicContact CB-CG 3.88Å; F545-L547 PolarHBondContact O-N 3.06Å; F545-L547 VanDerWaalsContact O-N 3.13Å
546	E	75	Confident	81.2	Confident	181 Å²	181	98.4 Å²	98.4	85%	0.846	47%	0.47	S	S	*	.			trans	51.7	34.4	-178.4	-57.9	179.1	-178.5	0	0	113.2	N543	N543-E546 PolarHBondContact O-N 3.22Å; N543-E546 PolarHBondContact OD1-N 3.23Å
547	L	74.5	Confident	81.2	Confident	116 Å²	116	99.8 Å²	99.8	61%	0.607	48%	0.476	S	S	*	.			trans	-68.3	153.7	177.6	-62.6	176.2	0	0	0	110.8	N543 F545 D549	N543-L547 PolarHBondContact ND2-N 3.42Å; N543-L547 PolarHBondContact ND2-O 3.46Å; N543-L547 PolarHBondContact OD1-N 3.07Å; F545-L547 HydrophobicContact CB-CD1 4.29Å; F545-L547 HydrophobicContact CB-CD2 4.38Å; F545-L547 HydrophobicContact CB-CG 3.88Å; F545-L547 PolarHBondContact O-N 3.06Å; F545-L547 VanDerWaalsContact O-N 3.13Å; L547-D549 PolarHBondContact O-N 3.49Å; L547-D549 VanDerWaalsContact O-N 3.11Å
548	D	70	Confident	81	Confident	128 Å²	128	102.2 Å²	102.2	68%	0.684	49%	0.488	S	S	*	.			trans	-72.3	107.2	174.4	-169.2	5.2	0	0	0	110.7	K550	D548-K550 VanDerWaalsContact C-N 3.32Å; D548-K550 WeakPolarHBondContact OD1-CB 3.41Å; D548-K550 WeakPolarHBondContact OD1-CG 3.28Å; D548-K550 PolarHBondContact OD1-N 3.02Å
549	D	68.6	Low	80.9	Confident	74 Å²	74	99.4 Å²	99.4	40%	0.396	49%	0.485	S	S	.	.			trans	-86.9	3.8	-179.6	-72.9	-41.2	0	0	0	113.4	N543 L547 D551 N552	N543-D549 PolarHBondContact ND2-OD2 2.96Å; L547-D549 PolarHBondContact O-N 3.49Å; L547-D549 VanDerWaalsContact O-N 3.11Å; D549-D551 PolarHBondContact O-N 3.06Å; D549-D551 VanDerWaalsContact O-N 3.16Å; D549-N552 WeakPolarHBondContact O-CB 3.02Å; D549-N552 PolarHBondContact O-N 2.78Å; D549-N552 PolarHBondContact OD1-ND2 3.24Å
550	K	68.9	Low	81	Confident	166 Å²	166	103 Å²	103	72%	0.722	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.8	-175.6	-70.5	-83.1	-178	-179	0	112.9	D548	D548-K550 VanDerWaalsContact C-N 3.32Å; D548-K550 WeakPolarHBondContact OD1-CB 3.41Å; D548-K550 WeakPolarHBondContact OD1-CG 3.28Å; D548-K550 PolarHBondContact OD1-N 3.02Å
551	D	66	Low	81.2	Confident	103 Å²	103	101.9 Å²	101.9	55%	0.551	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	6.7	-177.8	-71	-14.5	0	0	0	114.1	D549 H580	D549-D551 PolarHBondContact O-N 3.06Å; D549-D551 VanDerWaalsContact O-N 3.16Å; D551-H580 IonicContact OD2-CE1 2.83Å
552	N	73.8	Confident	81.7	Confident	65 Å²	65	96.1 Å²	96.1	35%	0.348	48%	0.475	S	S	.	.			trans	-85.2	-5	-176.4	-76.8	-17.3	0	0	0	114.6	D549 V554	D549-N552 WeakPolarHBondContact O-CB 3.02Å; D549-N552 PolarHBondContact O-N 2.78Å; D549-N552 PolarHBondContact OD1-ND2 3.24Å; N552-V554 PolarHBondContact O-N 3.01Å
553	N	82.5	Confident	82.2	Confident	75 Å²	75	92.7 Å²	92.7	40%	0.401	46%	0.464	S	S	.	.			trans	-82.7	78.5	176.5	-63.7	-30.5	0	0	0	110.5	R538 Y556	R538-N553 VanDerWaalsContact CZ-OD1 3.26Å; R538-N553 PolarHBondContact NH1-OD1 3.14Å; R538-N553 PolarHBondContact NH2-OD1 2.71Å; N553-Y556 PolarHBondContact O-OH 2.92Å; N553-Y556 VanDerWaalsContact O-OH 3.11Å
554	V	87	Confident	82.8	Confident	1 Å²	1	90 Å²	90	1%	0.006	45%	0.45	C	S	.	.			trans	-97.5	-14.9	-178.3	-60.3	0	0	0	0	113.7	N552 Y556 L576 K577 Y584	N552-V554 PolarHBondContact O-N 3.01Å; V554-Y556 VanDerWaalsContact O-CD2 3.31Å; V554-Y556 WeakPolarHBondContact O-CD2 3.5Å; V554-Y556 WeakPolarHBondContact O-CE2 3.28Å; V554-L576 HydrophobicContact CB-CD1 3.79Å; V554-L576 HydrophobicContact CG2-CD1 3.53Å; V554-L576 WeakPolarHBondContact O-CA 3.32Å; V554-K577 WeakPolarHBondContact CA-O 3.44Å; V554-K577 WeakPolarHBondContact CB-O 3.42Å; V554-K577 PolarHBondContact O-N 2.93Å; V554-Y584 HydrophobicContact CB-CD1 4.4Å; V554-Y584 HydrophobicContact CB-CG 4.29Å; V554-Y584 HydrophobicContact CG1-CD1 3.57Å; V554-Y584 HydrophobicContact CG1-CD2 4.08Å; V554-Y584 HydrophobicContact CG1-CE1 3.57Å; V554-Y584 HydrophobicContact CG1-CE2 4.07Å; V554-Y584 HydrophobicContact CG1-CG 3.83Å; V554-Y584 HydrophobicContact CG2-CD1 3.9Å; V554-Y584 HydrophobicContact CG2-CD2 4.02Å; V554-Y584 HydrophobicContact CG2-CG 3.5Å
555	F	91.9	Very high	83.3	Confident	12 Å²	12	87 Å²	87	5%	0.053	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.6	-178.8	-56.5	-79.3	0	0	0	110.8	F510 L576 E586 F606 A608	F510-F555 HydrophobicContact CD2-CD1 4.29Å; F510-F555 AromaticContact CD2-CE1 3.65Å; F510-F555 HydrophobicContact CD2-CE1 3.65Å; F510-F555 HydrophobicContact CE2-CD1 4.1Å; F510-F555 AromaticContact CE2-CE1 3.86Å; F510-F555 HydrophobicContact CE2-CE1 3.86Å; F510-F555 HydrophobicContact CG-CE1 4.41Å; F555-L576 HydrophobicContact CD1-CD1 4.13Å; F555-L576 HydrophobicContact CE1-CD1 3.92Å; F555-L576 HydrophobicContact CZ-CD1 4.43Å; F555-E586 HydrophobicContact CD2-CB 3.97Å; F555-E586 HydrophobicContact CD2-CG 3.59Å; F555-E586 HydrophobicContact CE2-CB 4.23Å; F555-E586 HydrophobicContact CE2-CG 3.98Å; F555-F606 HydrophobicContact CB-CD2 3.95Å; F555-F606 HydrophobicContact CD1-CB 3.74Å; F555-F606 HydrophobicContact CD1-CD2 4.3Å; F555-F606 HydrophobicContact CD1-CG 4.32Å; F555-F606 HydrophobicContact CD2-CB 4.01Å; F555-F606 HydrophobicContact CD2-CD2 4.4Å; F555-F606 HydrophobicContact CE1-CB 3.63Å; F555-F606 HydrophobicContact CE2-CB 3.89Å; F555-F606 HydrophobicContact CG-CB 3.92Å; F555-F606 AromaticContact CG-CD2 3.97Å; F555-F606 HydrophobicContact CG-CD2 3.97Å; F555-F606 HydrophobicContact CG-CG 4.36Å; F555-F606 HydrophobicContact CZ-CB 3.69Å; F555-A608 HydrophobicContact CE1-CB 3.73Å; F555-A608 HydrophobicContact CZ-CB 3.53Å
556	Y	91.8	Very high	83.8	Confident	112 Å²	112	81.4 Å²	81.4	44%	0.439	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.6	-176.9	-61	-89.4	0	0	0	110.5	N553 V554 T575 K577	N553-Y556 PolarHBondContact O-OH 2.92Å; N553-Y556 VanDerWaalsContact O-OH 3.11Å; V554-Y556 VanDerWaalsContact O-CD2 3.31Å; V554-Y556 WeakPolarHBondContact O-CD2 3.5Å; V554-Y556 WeakPolarHBondContact O-CE2 3.28Å; Y556-T575 PolarHBondContact N-O 3.4Å; Y556-T575 PolarHBondContact O-N 3.28Å; Y556-K577 HydrophobicContact CD2-CB 4.07Å; Y556-K577 HydrophobicContact CE2-CB 3.75Å
557	F	93.7	Very high	84.3	Confident	39 Å²	39	74 Å²	74	17%	0.171	39%	0.389	C	S	.	.			trans	-156	168	173.6	74.9	-73.7	0	0	0	109.9	W536 S559 P573 I574 W588 F606	W536-F557 HydrophobicContact CB-CE2 4.46Å; W536-F557 HydrophobicContact CB-CZ 4.47Å; W536-F557 AromaticContact CD2-CE2 3.89Å; W536-F557 HydrophobicContact CD2-CE2 3.89Å; W536-F557 HydrophobicContact CD2-CZ 4.29Å; W536-F557 HydrophobicContact CE3-CE2 4.37Å; W536-F557 HydrophobicContact CE3-CZ 4.43Å; W536-F557 AromaticContact CG-CE2 3.93Å; W536-F557 HydrophobicContact CG-CE2 3.93Å; W536-F557 HydrophobicContact CG-CZ 4.34Å; F557-S559 PolarHBondContact O-N 2.88Å; F557-P573 WeakPolarHBondContact CB-O 3.3Å; F557-I574 HydrophobicContact CB-CB 4.47Å; F557-I574 HydrophobicContact CB-CG1 3.86Å; F557-I574 HydrophobicContact CG-CG1 4.27Å; F557-W588 AromaticContact CE1-CD2 3.92Å; F557-W588 HydrophobicContact CE1-CD2 3.92Å; F557-W588 AromaticContact CE1-CE2 3.62Å; F557-W588 HydrophobicContact CE1-CE3 4.29Å; F557-W588 HydrophobicContact CE1-CG 4.43Å; F557-W588 HydrophobicContact CE1-CH2 4.09Å; F557-W588 AromaticContact CE1-CZ2 3.74Å; F557-W588 HydrophobicContact CE1-CZ2 3.74Å; F557-W588 HydrophobicContact CE1-CZ3 4.36Å; F557-W588 AromaticContact CZ-CD2 3.79Å; F557-W588 HydrophobicContact CZ-CD2 3.79Å; F557-W588 AromaticContact CZ-CE2 3.99Å; F557-W588 AromaticContact CZ-CE3 3.82Å; F557-W588 HydrophobicContact CZ-CE3 3.82Å; F557-W588 HydrophobicContact CZ-CG 4.3Å; F557-W588 HydrophobicContact CZ-CH2 4.22Å; F557-W588 HydrophobicContact CZ-CZ2 4.22Å; F557-W588 HydrophobicContact CZ-CZ3 4.03Å; F557-F606 HydrophobicContact CD1-CE2 4.04Å; F557-F606 HydrophobicContact CD1-CZ 4.48Å; F557-F606 AromaticContact CE1-CE2 3.74Å; F557-F606 HydrophobicContact CE1-CE2 3.74Å; F557-F606 HydrophobicContact CE1-CZ 4.21Å; F557-F606 HydrophobicContact CZ-CE2 4.39Å; F557-F606 HydrophobicContact CZ-CZ 4.49Å
558	D	90.1	Very high	85	Confident	90 Å²	90	71.8 Å²	71.8	48%	0.481	38%	0.378	S	S	.	.			trans	-78.6	101.6	173.5	-165.4	-4.3	0	0	0	110.2	K560	D558-K560 VanDerWaalsContact C-N 3.28Å; D558-K560 VanDerWaalsContact OD1-CB 3.27Å; D558-K560 WeakPolarHBondContact OD1-CB 3.05Å; D558-K560 VanDerWaalsContact OD1-CD 3.32Å; D558-K560 WeakPolarHBondContact OD1-CD 3.37Å; D558-K560 WeakPolarHBondContact OD1-CG 2.93Å; D558-K560 PolarHBondContact OD1-N 2.83Å; D558-K560 VanDerWaalsContact OD1-N 3.12Å
559	S	90.2	Very high	85.9	Confident	51 Å²	51	70 Å²	70	36%	0.357	37%	0.367	S	S	.	.			trans	-87.4	8	179.3	73.4	0	0	0	0	113.4	F557	F557-S559 PolarHBondContact O-N 2.88Å
560	K	92.2	Very high	87	Confident	139 Å²	139	68.2 Å²	68.2	60%	0.604	36%	0.359	S	S	*	.	S	Bend	trans	-65.5	149.9	179.5	-71.2	170.6	-167.7	160.2	0	111	D558	D558-K560 VanDerWaalsContact C-N 3.28Å; D558-K560 VanDerWaalsContact OD1-CB 3.27Å; D558-K560 WeakPolarHBondContact OD1-CB 3.05Å; D558-K560 VanDerWaalsContact OD1-CD 3.32Å; D558-K560 WeakPolarHBondContact OD1-CD 3.37Å; D558-K560 WeakPolarHBondContact OD1-CG 2.93Å; D558-K560 PolarHBondContact OD1-N 2.83Å; D558-K560 VanDerWaalsContact OD1-N 3.12Å
561	P	90.4	Very high	88.1	Confident	94 Å²	94	65.3 Å²	65.3	61%	0.61	35%	0.348	S	S	*	.			trans	-63.5	142.7	171.3	28	-34.1	0	0	0	110.1	Y534 E535	Y534-P561 VanDerWaalsContact O-CA 3.25Å; Y534-P561 WeakPolarHBondContact O-CA 3.33Å; E535-P561 HydrophobicContact CB-CB 4.43Å; E535-P561 HydrophobicContact CG-CB 4.41Å
562	G	89.5	Confident	89.3	Confident	17 Å²	17	61.1 Å²	61.1	18%	0.175	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	171.8	-175.5	0	0	0	0	0	112.8	S533 Y534	S533-G562 WeakPolarHBondContact CA-O 3.37Å; Y534-G562 WeakPolarHBondContact CD1-O 3.28Å; Y534-G562 VanDerWaalsContact CE1-C 3.42Å; Y534-G562 PolarHBondContact N-O 3.45Å; Y534-G562 PolarHBondContact O-N 3.12Å
563	I	91.9	Very high	90.2	Very high	104 Å²	104	60.9 Å²	60.9	53%	0.533	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137	-179.6	-61.3	170.8	0	0	0	108.5	L531 I532	L531-I563 HydrophobicContact CD1-CG2 3.74Å; L531-I563 HydrophobicContact CD2-CG2 3.43Å; L531-I563 VanDerWaalsContact CD2-CG2 3.43Å; L531-I563 HydrophobicContact CG-CG2 3.44Å; L531-I563 VanDerWaalsContact CG-CG2 3.44Å; I532-I563 CarbonylContact O-C 3.52Å; I532-I563 WeakPolarHBondContact O-CA 3.35Å
564	I	91.1	Very high	90.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.6	178.2	-49	171.3	0	0	0	107.6	L482 L524 N526 I532 Y534 D568 V570	L482-I564 HydrophobicContact CD1-CD1 4.13Å; L524-I564 HydrophobicContact CB-CD1 3.97Å; L524-I564 HydrophobicContact CD1-CD1 3.94Å; N526-I564 HydrophobicContact CB-CB 4.46Å; N526-I564 HydrophobicContact CB-CG2 3.58Å; N526-I564 PolarHBondContact ND2-O 3.42Å; I532-I564 PolarHBondContact N-O 3.2Å; I532-I564 PolarHBondContact O-N 2.86Å; Y534-I564 HydrophobicContact CD1-CD1 3.66Å; Y534-I564 HydrophobicContact CD1-CG1 3.66Å; Y534-I564 HydrophobicContact CE1-CD1 3.9Å; Y534-I564 HydrophobicContact CE1-CG1 3.61Å; I564-D568 HydrophobicContact CG2-CB 3.81Å; I564-V570 HydrophobicContact CG1-CG2 4.28Å; I564-V570 HydrophobicContact CG2-CG2 4.23Å
565	Q	91.2	Very high	91	Very high	87 Å²	87	58.9 Å²	58.9	41%	0.407	32%	0.318	S	S	.	.			trans	-73.4	157.7	177.1	-53.8	-66.7	-47.5	0	0	110.4	N526 G567 D568	N526-Q565 WeakPolarHBondContact CB-O 3.32Å; N526-Q565 VanDerWaalsContact ND2-C 3.34Å; N526-Q565 PolarHBondContact ND2-O 2.66Å; N526-Q565 VanDerWaalsContact ND2-O 3.17Å; Q565-G567 PolarHBondContact O-N 3.03Å; Q565-D568 WeakPolarHBondContact CA-OD2 3.23Å; Q565-D568 WeakPolarHBondContact CB-OD2 3.04Å; Q565-D568 WeakPolarHBondContact CG-OD2 3.39Å; Q565-D568 PolarHBondContact N-OD2 3.45Å; Q565-D568 WeakPolarHBondContact O-CB 3.31Å; Q565-D568 PolarHBondContact O-N 3.49Å
566	P	89.3	Confident	90.9	Very high	56 Å²	56	58.3 Å²	58.3	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	124	170.2	-29.5	38.4	0	0	0	112.3	G528 D568	G528-P566 WeakPolarHBondContact O-CB 3.33Å; P566-D568 VanDerWaalsContact C-N 3.34Å
567	G	84.9	Confident	90.7	Very high	25 Å²	25	57.1 Å²	57.1	26%	0.258	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	-4	-178.3	0	0	0	0	0	115.6	N526 Q565	N526-G567 WeakPolarHBondContact O-CA 3.27Å; N526-G567 PolarHBondContact O-N 2.98Å; Q565-G567 PolarHBondContact O-N 3.03Å
568	D	90.1	Very high	90.2	Very high	69 Å²	69	55.5 Å²	55.5	37%	0.369	31%	0.306	S	S	.	.			trans	-73.1	142.3	176.7	-72.9	-9.7	0	0	0	111.4	N526 I564 Q565 P566	N526-D568 PolarHBondContact N-O 2.78Å; I564-D568 HydrophobicContact CG2-CB 3.81Å; Q565-D568 WeakPolarHBondContact CA-OD2 3.23Å; Q565-D568 WeakPolarHBondContact CB-OD2 3.04Å; Q565-D568 WeakPolarHBondContact CG-OD2 3.39Å; Q565-D568 PolarHBondContact N-OD2 3.45Å; Q565-D568 WeakPolarHBondContact O-CB 3.31Å; Q565-D568 PolarHBondContact O-N 3.49Å; P566-D568 VanDerWaalsContact C-N 3.34Å
569	I	90	Very high	89.6	Confident	90 Å²	90	56.1 Å²	56.1	46%	0.462	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116	169.4	-55.4	165.3	0	0	0	107.9	E523 L524 F525 H571	E523-I569 HydrophobicContact CG-CG2 3.86Å; E523-I569 WeakPolarHBondContact OE1-CG2 3.09Å; L524-I569 CarbonylContact O-C 3.56Å; L524-I569 WeakPolarHBondContact O-CA 2.97Å; F525-I569 HydrophobicContact CB-CG1 4.26Å; F525-I569 HydrophobicContact CD2-CB 4.48Å; F525-I569 HydrophobicContact CD2-CD1 4.25Å; F525-I569 HydrophobicContact CD2-CG1 3.37Å; F525-I569 HydrophobicContact CE2-CD1 4.49Å; F525-I569 HydrophobicContact CE2-CG1 3.94Å; F525-I569 HydrophobicContact CG-CG1 4.06Å; I569-H571 VanDerWaalsContact CG2-CE1 3.41Å; I569-H571 WeakPolarHBondContact CG2-CE1 3.05Å
570	V	90.8	Very high	88.9	Confident	38 Å²	38	58.6 Å²	58.6	23%	0.23	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.6	179	-179.6	0	0	0	0	109	L524 I564 L572	L524-V570 HydrophobicContact CB-CB 4.22Å; L524-V570 PolarHBondContact N-O 3.47Å; L524-V570 PolarHBondContact O-N 3.48Å; I564-V570 HydrophobicContact CG1-CG2 4.28Å; I564-V570 HydrophobicContact CG2-CG2 4.23Å; V570-L572 HydrophobicContact CG1-CD2 3.97Å; V570-L572 HydrophobicContact CG1-CG 4.08Å
571	H	91.4	Very high	88.3	Confident	104 Å²	104	54.3 Å²	54.3	48%	0.481	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	110.7	173.1	-66.7	78	0	0	0	109	Y521 I522 E523 I569 P573	Y521-H571 HydrophobicContact CD1-CB 4.25Å; I522-H571 WeakPolarHBondContact O-CA 3.35Å; E523-H571 IonicContact OE1-CE1 3.96Å; E523-H571 IonicContact OE1-NE2 2.75Å; I569-H571 VanDerWaalsContact CG2-CE1 3.41Å; I569-H571 WeakPolarHBondContact CG2-CE1 3.05Å; H571-P573 WeakPolarHBondContact O-CD 3.3Å
572	L	91.7	Very high	87.9	Confident	16 Å²	16	51.1 Å²	51.1	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	110.1	179.1	-68.2	175.3	0	0	0	110.2	Y521 I522 L524 W536 V570	Y521-L572 CarbonylContact C-O 3.57Å; Y521-L572 WeakPolarHBondContact CA-O 3.49Å; I522-L572 HydrophobicContact CB-CB 4.34Å; I522-L572 PolarHBondContact N-O 3.41Å; I522-L572 PolarHBondContact O-N 2.82Å; L524-L572 HydrophobicContact CD1-CD1 3.5Å; L524-L572 HydrophobicContact CD1-CG 4.23Å; L524-L572 HydrophobicContact CG-CD1 4.31Å; W536-L572 HydrophobicContact CZ2-CD1 3.92Å; V570-L572 HydrophobicContact CG1-CD2 3.97Å; V570-L572 HydrophobicContact CG1-CG 4.08Å
573	P	93.4	Very high	87.8	Confident	60 Å²	60	57.2 Å²	57.2	39%	0.39	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129	175.9	28.3	-32.2	0	0	0	111.3	T519 E520 Y521 F557 H571	T519-P573 HydrophobicContact CG2-CB 3.76Å; E520-P573 CarbonylContact O-C 3.56Å; E520-P573 WeakPolarHBondContact O-CA 3.36Å; Y521-P573 HydrophobicContact CD1-CB 3.92Å; Y521-P573 HydrophobicContact CE1-CB 3.65Å; Y521-P573 HydrophobicContact CE1-CG 4.44Å; F557-P573 WeakPolarHBondContact CB-O 3.3Å; H571-P573 WeakPolarHBondContact O-CD 3.3Å
574	I	92.8	Very high	87.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.9	172	-61.9	168.6	0	0	0	107.7	L508 F510 T519 E520 I522 F557 F606	L508-I574 HydrophobicContact CD1-CD1 3.31Å; F510-I574 HydrophobicContact CE2-CG2 4.29Å; F510-I574 HydrophobicContact CZ-CB 4.14Å; F510-I574 HydrophobicContact CZ-CG2 3.65Å; T519-I574 CarbonylContact C-O 3.51Å; T519-I574 VanDerWaalsContact CA-O 3.32Å; T519-I574 WeakPolarHBondContact CA-O 3.38Å; E520-I574 PolarHBondContact N-O 3.39Å; E520-I574 PolarHBondContact O-N 3.06Å; I522-I574 HydrophobicContact CD1-CD1 3.36Å; I522-I574 HydrophobicContact CG1-CD1 3.61Å; F557-I574 HydrophobicContact CB-CB 4.47Å; F557-I574 HydrophobicContact CB-CG1 3.86Å; F557-I574 HydrophobicContact CG-CG1 4.27Å; I574-F606 HydrophobicContact CD1-CD1 4.35Å; I574-F606 HydrophobicContact CD1-CE1 3.5Å; I574-F606 VanDerWaalsContact CD1-CE1 3.5Å; I574-F606 HydrophobicContact CD1-CE2 4.42Å; I574-F606 HydrophobicContact CD1-CZ 3.55Å; I574-F606 HydrophobicContact CG1-CZ 4.4Å; I574-F606 HydrophobicContact CG2-CE2 4.48Å
575	T	92	Very high	87.6	Confident	34 Å²	34	56.4 Å²	56.4	21%	0.209	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.7	-177.8	-55.8	0	0	0	0	110.3	L517 Q518 T519 Y556	L517-T575 HydrophobicContact CB-CG2 4.23Å; L517-T575 HydrophobicContact CD2-CG2 4.1Å; Q518-T575 CarbonylContact O-C 3.35Å; Q518-T575 WeakPolarHBondContact O-CA 3.43Å; T519-T575 PolarHBondContact OG1-OG1 2.95Å; Y556-T575 PolarHBondContact N-O 3.4Å; Y556-T575 PolarHBondContact O-N 3.28Å
576	L	90.6	Very high	87.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127	167.1	175.2	68.2	0	0	0	109.6	F510 N512 Q518 V554 F555 A608	F510-L576 HydrophobicContact CB-CB 4.41Å; F510-L576 HydrophobicContact CB-CD2 3.55Å; F510-L576 HydrophobicContact CD1-CB 3.83Å; F510-L576 HydrophobicContact CD1-CD2 4.47Å; F510-L576 HydrophobicContact CE1-CB 4.32Å; F510-L576 HydrophobicContact CG-CB 4.17Å; F510-L576 HydrophobicContact CG-CD2 4.21Å; N512-L576 HydrophobicContact CB-CD2 3.92Å; Q518-L576 HydrophobicContact CB-CB 4.49Å; Q518-L576 PolarHBondContact N-O 2.84Å; Q518-L576 PolarHBondContact O-N 3.32Å; V554-L576 HydrophobicContact CB-CD1 3.79Å; V554-L576 HydrophobicContact CG2-CD1 3.53Å; V554-L576 WeakPolarHBondContact O-CA 3.32Å; F555-L576 HydrophobicContact CD1-CD1 4.13Å; F555-L576 HydrophobicContact CE1-CD1 3.92Å; F555-L576 HydrophobicContact CZ-CD1 4.43Å; L576-A608 HydrophobicContact CD1-CB 3.62Å; L576-A608 HydrophobicContact CD2-CB 3.67Å; L576-A608 HydrophobicContact CG-CB 4.3Å
577	K	87.3	Confident	87.8	Confident	87 Å²	87	50.6 Å²	50.6	38%	0.378	27%	0.266	S	S	.	.			trans	-133.5	104.5	167.3	-174	-174.1	-176.1	-168.7	0	109.5	L517 V554 Y556 H579	L517-K577 HydrophobicContact CD2-CB 3.43Å; L517-K577 VanDerWaalsContact CD2-CB 3.43Å; L517-K577 HydrophobicContact CD2-CD 3.83Å; L517-K577 HydrophobicContact CD2-CG 3.47Å; L517-K577 VanDerWaalsContact CD2-CG 3.47Å; V554-K577 WeakPolarHBondContact CA-O 3.44Å; V554-K577 WeakPolarHBondContact CB-O 3.42Å; V554-K577 PolarHBondContact O-N 2.93Å; Y556-K577 HydrophobicContact CD2-CB 4.07Å; Y556-K577 HydrophobicContact CE2-CB 3.75Å; K577-H579 WeakPolarHBondContact CE-NE2 3.38Å
578	S	82.7	Confident	88.2	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.028	26%	0.259	C	S	.	.			trans	-105	132.3	176	47.8	0	0	0	0	110	N512 S610	N512-S578 PolarHBondContact ND2-OG 3.23Å; S578-S610 WeakPolarHBondContact CB-OG 3.49Å; S578-S610 WeakPolarHBondContact OG-CB 3.4Å; S578-S610 PolarHBondContact OG-OG 2.71Å
579	H	77.4	Confident	88.4	Confident	104 Å²	104	52.2 Å²	52.2	48%	0.481	26%	0.259	S	S	.	.	S	Bend	trans	-94.2	-14.7	175.8	-58.7	91	0	0	0	112.2	K577 W612	K577-H579 WeakPolarHBondContact CE-NE2 3.38Å; H579-W612 WeakPolarHBondContact O-CH2 3.49Å
580	H	77.3	Confident	88.5	Confident	102 Å²	102	48 Å²	48	47%	0.472	24%	0.237	S	C	.	.	S	Bend	trans	-134.1	154.3	179.4	-55.3	104.2	0	0	0	109.5	D551 Y584	D551-H580 IonicContact OD2-CE1 2.83Å; H580-Y584 PolarHBondContact O-OH 3.46Å
581	E	78.4	Confident	88.6	Confident	50 Å²	50	48.4 Å²	48.4	23%	0.234	24%	0.238	C	C	.	.	S	Bend	trans	-69.8	143.8	168.9	-64.4	171.8	146.5	0	0	110	S610 W612 H616	E581-S610 CarbonylContact C-O 3.35Å; E581-S610 WeakPolarHBondContact CA-O 3.44Å; E581-S610 WeakPolarHBondContact CB-O 3.25Å; E581-W612 HydrophobicContact CG-CB 4.29Å; E581-W612 HydrophobicContact CG-CD2 3.67Å; E581-W612 HydrophobicContact CG-CE3 3.67Å; E581-W612 HydrophobicContact CG-CG 3.96Å; E581-W612 HydrophobicContact CG-CZ3 4.28Å; E581-W612 WeakPolarHBondContact OE1-CA 3.31Å; E581-W612 VanDerWaalsContact OE1-CB 3.25Å; E581-W612 WeakPolarHBondContact OE1-CB 3.27Å; E581-W612 PolarHBondContact OE1-N 2.88Å; E581-W612 VanDerWaalsContact OE1-O 3.08Å; E581-H616 IonicContact OE1-ND1 3.77Å; E581-H616 IonicContact OE2-CE1 3.98Å; E581-H616 IonicContact OE2-CG 2.81Å; E581-H616 IonicContact OE2-ND1 3.33Å; E581-H616 PolarHBondContact OE2-ND1 3.03Å
582	G	82.3	Confident	88.5	Confident	27 Å²	27	43.9 Å²	43.9	28%	0.278	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	158.9	-179.1	-177.5	0	0	0	0	0	113.3	S610	G582-S610 PolarHBondContact N-O 3.2Å; G582-S610 PolarHBondContact O-N 3.08Å
583	I	86.8	Confident	88.4	Confident	145 Å²	145	47.5 Å²	47.5	74%	0.744	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.2	176.5	-57.3	173	0	0	0	107.6	A608	I583-A608 WeakPolarHBondContact CA-O 3.3Å
584	Y	89.1	Confident	88.1	Confident	17 Å²	17	46.2 Å²	46.2	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.7	179.6	-57.7	-83.6	0	0	0	110.2	V554 H580 A608	V554-Y584 HydrophobicContact CB-CD1 4.4Å; V554-Y584 HydrophobicContact CB-CG 4.29Å; V554-Y584 HydrophobicContact CG1-CD1 3.57Å; V554-Y584 HydrophobicContact CG1-CD2 4.08Å; V554-Y584 HydrophobicContact CG1-CE1 3.57Å; V554-Y584 HydrophobicContact CG1-CE2 4.07Å; V554-Y584 HydrophobicContact CG1-CG 3.83Å; V554-Y584 HydrophobicContact CG2-CD1 3.9Å; V554-Y584 HydrophobicContact CG2-CD2 4.02Å; V554-Y584 HydrophobicContact CG2-CG 3.5Å; H580-Y584 PolarHBondContact O-OH 3.46Å; Y584-A608 PolarHBondContact N-O 3.28Å; Y584-A608 PolarHBondContact O-N 2.81Å
585	K	89.5	Confident	87.7	Confident	69 Å²	69	49.5 Å²	49.5	30%	0.3	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	130.2	176.6	172.7	-178.1	175	155.9	0	113	R541 F606 H607	R541-K585 VanDerWaalsContact NH1-CD 3.32Å; R541-K585 PolarHBondContact NH1-O 3.05Å; R541-K585 VanDerWaalsContact NH2-CE 3.3Å; K585-F606 CarbonylContact C-O 3.53Å; K585-F606 WeakPolarHBondContact CA-O 3.33Å; K585-H607 VanDerWaalsContact CD-CD2 3.47Å; K585-H607 WeakPolarHBondContact CD-CD2 3.41Å; K585-H607 WeakPolarHBondContact CD-NE2 3.36Å; K585-H607 WeakPolarHBondContact CE-NE2 3.48Å; K585-H607 PolarHBondContact NZ-NE2 3.27Å
586	E	92.3	Very high	87.3	Confident	8 Å²	8	48 Å²	48	4%	0.037	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.4	175.1	-68.8	-169.2	-170.8	0	0	111.5	R538 F555 W588 H605 F606	R538-E586 IonicContact CZ-OE1 2.8Å; R538-E586 IonicContact CZ-OE2 3.73Å; R538-E586 IonicContact NE-OE1 2.73Å; R538-E586 IonicContact NE-OE2 2.68Å; R538-E586 PolarHBondContact NE-OE2 2.97Å; R538-E586 IonicContact NH2-OE1 2.83Å; R538-E586 PolarHBondContact NH2-OE1 3.44Å; R538-E586 IonicContact NH2-OE2 3.63Å; F555-E586 HydrophobicContact CD2-CB 3.97Å; F555-E586 HydrophobicContact CD2-CG 3.59Å; F555-E586 HydrophobicContact CE2-CB 4.23Å; F555-E586 HydrophobicContact CE2-CG 3.98Å; E586-W588 PolarHBondContact OE2-NE1 2.97Å; E586-H605 CarbonylContact O-C 3.26Å; E586-H605 WeakPolarHBondContact O-CA 3.4Å; E586-F606 HydrophobicContact CB-CB 4.4Å; E586-F606 HydrophobicContact CB-CD2 4.27Å; E586-F606 PolarHBondContact N-O 3.4Å; E586-F606 PolarHBondContact O-N 3.42Å
587	V	92.6	Very high	86.6	Confident	14 Å²	14	49.3 Å²	49.3	9%	0.085	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.9	176.4	-169.4	0	0	0	0	108.3	I539 C603 H605	I539-V587 HydrophobicContact CB-CB 4.33Å; I539-V587 HydrophobicContact CD1-CG1 3.94Å; I539-V587 PolarHBondContact N-O 2.75Å; V587-C603 HydrophobicContact CG1-CB 4.31Å; V587-H605 WeakPolarHBondContact CG2-ND1 3.34Å
588	W	94.6	Very high	85.8	Confident	29 Å²	29	46.7 Å²	46.7	11%	0.11	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.1	-178.6	-71.7	85	0	0	0	109.4	W536 R538 F557 E586 C603 V604 F606	W536-W588 HydrophobicContact CB-CE3 4.15Å; W536-W588 HydrophobicContact CB-CZ3 4.39Å; W536-W588 HydrophobicContact CE3-CB 4.05Å; W536-W588 HydrophobicContact CZ3-CB 4.3Å; R538-W588 HydrophobicContact CB-CD2 4Å; R538-W588 HydrophobicContact CB-CE3 3.76Å; R538-W588 HydrophobicContact CB-CH2 3.71Å; R538-W588 HydrophobicContact CB-CZ2 3.9Å; R538-W588 HydrophobicContact CB-CZ3 3.62Å; R538-W588 HydrophobicContact CG-CD2 4.07Å; R538-W588 HydrophobicContact CG-CE3 4.35Å; R538-W588 HydrophobicContact CG-CH2 4.08Å; R538-W588 HydrophobicContact CG-CZ2 3.73Å; R538-W588 HydrophobicContact CG-CZ3 4.37Å; F557-W588 AromaticContact CE1-CD2 3.92Å; F557-W588 HydrophobicContact CE1-CD2 3.92Å; F557-W588 AromaticContact CE1-CE2 3.62Å; F557-W588 HydrophobicContact CE1-CE3 4.29Å; F557-W588 HydrophobicContact CE1-CG 4.43Å; F557-W588 HydrophobicContact CE1-CH2 4.09Å; F557-W588 AromaticContact CE1-CZ2 3.74Å; F557-W588 HydrophobicContact CE1-CZ2 3.74Å; F557-W588 HydrophobicContact CE1-CZ3 4.36Å; F557-W588 AromaticContact CZ-CD2 3.79Å; F557-W588 HydrophobicContact CZ-CD2 3.79Å; F557-W588 AromaticContact CZ-CE2 3.99Å; F557-W588 AromaticContact CZ-CE3 3.82Å; F557-W588 HydrophobicContact CZ-CE3 3.82Å; F557-W588 HydrophobicContact CZ-CG 4.3Å; F557-W588 HydrophobicContact CZ-CH2 4.22Å; F557-W588 HydrophobicContact CZ-CZ2 4.22Å; F557-W588 HydrophobicContact CZ-CZ3 4.03Å; E586-W588 PolarHBondContact OE2-NE1 2.97Å; W588-C603 CarbonylContact O-C 3.6Å; W588-C603 WeakPolarHBondContact O-CA 3.4Å; W588-V604 PolarHBondContact N-O 3.07Å; W588-V604 PolarHBondContact O-N 3.36Å; W588-F606 AromaticContact CD1-CD2 3.59Å; W588-F606 AromaticContact CD1-CE2 3.25Å; W588-F606 AromaticContact CD1-CZ 3.94Å; W588-F606 HydrophobicContact CG-CE2 4.04Å; W588-F606 HydrophobicContact CG-CZ 4.4Å; W588-F606 AromaticContact NE1-CD2 3.81Å; W588-F606 AromaticContact NE1-CE2 3.55Å
589	R	93.4	Very high	85.4	Confident	98 Å²	98	53.3 Å²	53.3	37%	0.37	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.4	172.3	-168.3	179.4	72.8	-162	-0.2	109	T537 I539 D591 I602	T537-R589 PolarHBondContact N-O 2.85Å; T537-R589 PolarHBondContact O-N 3.32Å; T537-R589 WeakPolarHBondContact OG1-CB 3.36Å; T537-R589 PolarHBondContact OG1-NE 3.11Å; T537-R589 PolarHBondContact OG1-NH2 3.02Å; I539-R589 HydrophobicContact CD1-CB 4Å; I539-R589 HydrophobicContact CG1-CB 4.22Å; R589-D591 IonicContact CZ-OD1 3.88Å; R589-D591 IonicContact CZ-OD2 2.66Å; R589-D591 VanDerWaalsContact NE-CG 3.33Å; R589-D591 IonicContact NE-OD1 3.78Å; R589-D591 PolarHBondContact NE-OD1 3.29Å; R589-D591 IonicContact NE-OD2 2.89Å; R589-D591 PolarHBondContact NE-OD2 3.03Å; R589-D591 IonicContact NH2-OD2 3.56Å; R589-D591 PolarHBondContact NH2-OD2 3.23Å; R589-I602 CarbonylContact C-O 3.2Å; R589-I602 WeakPolarHBondContact CA-O 3.49Å
590	F	93	Very high	85.6	Confident	2 Å²	2	51 Å²	51	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	105.2	178.2	-178.2	-106	0	0	0	108.9	L482 L484 L489 L524 Y534 W536 T592 I602	L482-F590 HydrophobicContact CD2-CE1 3.9Å; L482-F590 HydrophobicContact CD2-CZ 4.13Å; L484-F590 HydrophobicContact CD1-CD1 3.55Å; L484-F590 HydrophobicContact CD1-CD2 4.3Å; L484-F590 HydrophobicContact CD1-CE1 3.57Å; L484-F590 HydrophobicContact CD1-CE2 4.31Å; L484-F590 HydrophobicContact CD1-CG 3.92Å; L484-F590 HydrophobicContact CD1-CZ 3.96Å; L489-F590 HydrophobicContact CD1-CE1 4.31Å; L524-F590 HydrophobicContact CD1-CE2 4.35Å; L524-F590 HydrophobicContact CD1-CZ 4.37Å; L524-F590 HydrophobicContact CD2-CE2 4.4Å; L524-F590 HydrophobicContact CD2-CZ 4Å; Y534-F590 AromaticContact CD2-CE2 3.83Å; Y534-F590 HydrophobicContact CD2-CE2 3.83Å; Y534-F590 AromaticContact CG-CE2 3.84Å; Y534-F590 HydrophobicContact CG-CE2 3.84Å; Y534-F590 HydrophobicContact CG-CZ 4.16Å; W536-F590 AromaticContact CD2-CD2 3.91Å; W536-F590 HydrophobicContact CD2-CD2 3.91Å; W536-F590 AromaticContact CE2-CD2 3.57Å; W536-F590 AromaticContact CE2-CE2 3.92Å; W536-F590 HydrophobicContact CE3-CB 4.21Å; W536-F590 HydrophobicContact CE3-CD2 4.02Å; W536-F590 HydrophobicContact CH2-CB 4.23Å; W536-F590 AromaticContact CH2-CD2 3.56Å; W536-F590 HydrophobicContact CH2-CD2 3.56Å; W536-F590 HydrophobicContact CH2-CE2 4.25Å; W536-F590 HydrophobicContact CH2-CG 4.19Å; W536-F590 AromaticContact CZ2-CD2 3.4Å; W536-F590 HydrophobicContact CZ2-CD2 3.4Å; W536-F590 AromaticContact CZ2-CE2 3.71Å; W536-F590 HydrophobicContact CZ2-CE2 3.71Å; W536-F590 HydrophobicContact CZ2-CG 4.43Å; W536-F590 HydrophobicContact CZ3-CB 3.88Å; W536-F590 AromaticContact CZ3-CD2 3.87Å; W536-F590 HydrophobicContact CZ3-CD2 3.87Å; W536-F590 HydrophobicContact CZ3-CG 4.3Å; F590-T592 HydrophobicContact CD1-CG2 3.86Å; F590-T592 HydrophobicContact CE1-CG2 3.29Å; F590-T592 HydrophobicContact CZ-CG2 3.87Å; F590-I602 HydrophobicContact CB-CB 4.3Å; F590-I602 HydrophobicContact CB-CG2 4.15Å; F590-I602 HydrophobicContact CD1-CD1 4.3Å; F590-I602 HydrophobicContact CD1-CG2 4.27Å; F590-I602 PolarHBondContact N-O 3.42Å
591	D	91.2	Very high	85.9	Confident	47 Å²	47	49.2 Å²	49.2	25%	0.251	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.8	-178.2	-65.1	-44.2	0	0	0	109.4	Y534 E535 T537 R589	Y534-D591 CarbonylContact C-O 3.58Å; Y534-D591 VanDerWaalsContact CA-O 3.28Å; Y534-D591 WeakPolarHBondContact CA-O 3.29Å; E535-D591 PolarHBondContact N-O 3.31Å; E535-D591 PolarHBondContact O-N 2.9Å; T537-D591 PolarHBondContact OG1-OD2 2.77Å; R589-D591 IonicContact CZ-OD1 3.88Å; R589-D591 IonicContact CZ-OD2 2.66Å; R589-D591 VanDerWaalsContact NE-CG 3.33Å; R589-D591 IonicContact NE-OD1 3.78Å; R589-D591 PolarHBondContact NE-OD1 3.29Å; R589-D591 IonicContact NE-OD2 2.89Å; R589-D591 PolarHBondContact NE-OD2 3.03Å; R589-D591 IonicContact NH2-OD2 3.56Å; R589-D591 PolarHBondContact NH2-OD2 3.23Å
592	T	90.7	Very high	86.5	Confident	8 Å²	8	47 Å²	47	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.6	-179.3	64.3	0	0	0	0	112.1	L482 I532 S533 F590 P594 V595 F596	L482-T592 HydrophobicContact CD2-CG2 4.27Å; I532-T592 HydrophobicContact CG2-CG2 4.32Å; S533-T592 CarbonylContact O-C 3.59Å; S533-T592 VanDerWaalsContact O-CA 3.28Å; S533-T592 WeakPolarHBondContact O-CA 3.47Å; F590-T592 HydrophobicContact CD1-CG2 3.86Å; F590-T592 HydrophobicContact CE1-CG2 3.29Å; F590-T592 HydrophobicContact CZ-CG2 3.87Å; T592-P594 CarbonylContact C-O 3.56Å; T592-P594 VanDerWaalsContact C-O 3.3Å; T592-P594 WeakPolarHBondContact CB-O 3.39Å; T592-P594 CarbonylContact O-C 3.53Å; T592-P594 PolarHBondContact OG1-O 3.45Å; T592-V595 WeakPolarHBondContact O-CA 3.42Å; T592-V595 WeakPolarHBondContact O-CG2 3.3Å; T592-V595 PolarHBondContact O-N 3.36Å; T592-F596 HydrophobicContact CG2-CD2 3.96Å; T592-F596 HydrophobicContact CG2-CE2 4.32Å; T592-F596 WeakPolarHBondContact OG1-CD2 3.42Å; T592-F596 PolarHBondContact OG1-N 2.95Å
593	T	89.5	Confident	87	Confident	93 Å²	93	46.4 Å²	46.4	57%	0.571	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.3	165.5	-51.4	0	0	0	0	108.9	S533	S533-T593 PolarHBondContact N-O 3.31Å; S533-T593 PolarHBondContact O-N 3.04Å; S533-T593 WeakPolarHBondContact OG-CB 3.44Å; S533-T593 PolarHBondContact OG-O 3.04Å
594	P	85.8	Confident	87.3	Confident	33 Å²	33	39.5 Å²	39.5	21%	0.214	21%	0.214	C	C	.	.	S	Bend	cis	-64.6	155.6	1	29.5	-35.9	0	0	0	113.1	P480 V530 T592	P480-P594 HydrophobicContact CB-CG 3.93Å; P480-P594 HydrophobicContact CG-CG 4.28Å; V530-P594 HydrophobicContact CG1-CG 4.45Å; T592-P594 CarbonylContact C-O 3.56Å; T592-P594 VanDerWaalsContact C-O 3.3Å; T592-P594 WeakPolarHBondContact CB-O 3.39Å; T592-P594 CarbonylContact O-C 3.53Å; T592-P594 PolarHBondContact OG1-O 3.45Å
595	V	85.7	Confident	87.6	Confident	69 Å²	69	39.9 Å²	39.9	42%	0.418	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-75.1	127.4	-177.9	-175	0	0	0	0	110	T592 M599	T592-V595 WeakPolarHBondContact O-CA 3.42Å; T592-V595 WeakPolarHBondContact O-CG2 3.3Å; T592-V595 PolarHBondContact O-N 3.36Å; V595-M599 HydrophobicContact CG1-CB 4.25Å; V595-M599 HydrophobicContact CG1-CG 4.01Å
596	F	84	Confident	87.8	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.009	20%	0.201	C	C	.	.	S	Bend	trans	-89.4	167.5	174.6	-69.3	-72.5	0	0	0	112.3	P480 L482 L489 W491 I532 T592 G598 M599 I602	P480-F596 HydrophobicContact CB-CE1 4.08Å; P480-F596 HydrophobicContact CB-CZ 4.21Å; L482-F596 HydrophobicContact CB-CD2 4.45Å; L482-F596 HydrophobicContact CB-CE2 3.91Å; L482-F596 HydrophobicContact CB-CZ 3.95Å; L482-F596 HydrophobicContact CD2-CD2 4.48Å; L482-F596 HydrophobicContact CD2-CE2 4.15Å; L489-F596 HydrophobicContact CB-CB 3.94Å; L489-F596 HydrophobicContact CB-CD1 4.2Å; L489-F596 HydrophobicContact CB-CD2 4.38Å; L489-F596 HydrophobicContact CB-CG 3.93Å; L489-F596 WeakPolarHBondContact O-CD1 3.45Å; W491-F596 HydrophobicContact CB-CD1 4.05Å; W491-F596 HydrophobicContact CB-CE1 3.96Å; I532-F596 HydrophobicContact CD1-CE2 3.81Å; I532-F596 HydrophobicContact CD1-CZ 3.58Å; I532-F596 HydrophobicContact CG1-CE2 4.22Å; I532-F596 HydrophobicContact CG1-CZ 4.11Å; I532-F596 HydrophobicContact CG2-CE2 3.97Å; T592-F596 HydrophobicContact CG2-CD2 3.96Å; T592-F596 HydrophobicContact CG2-CE2 4.32Å; T592-F596 WeakPolarHBondContact OG1-CD2 3.42Å; T592-F596 PolarHBondContact OG1-N 2.95Å; F596-G598 PolarHBondContact O-N 3.32Å; F596-M599 PolarHBondContact O-N 3.44Å; F596-I602 HydrophobicContact CB-CD1 4.47Å
597	Q	75.8	Confident	87.8	Confident	27 Å²	27	38.2 Å²	38.2	13%	0.126	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	52.8	26.2	178.6	-79	71.6	-88.4	0	0	115.3	N490 I504 M599 L600	N490-Q597 PolarHBondContact O-N 3.31Å; N490-Q597 VanDerWaalsContact O-N 3.08Å; N490-Q597 PolarHBondContact O-OE1 2.86Å; I504-Q597 HydrophobicContact CD1-CG 3.83Å; I504-Q597 VanDerWaalsContact CD1-NE2 3.31Å; I504-Q597 HydrophobicContact CG1-CG 4.42Å; Q597-M599 VanDerWaalsContact C-N 3.34Å; Q597-M599 PolarHBondContact O-N 2.86Å; Q597-L600 HydrophobicContact CB-CB 4.11Å; Q597-L600 WeakPolarHBondContact O-CG 3.34Å; Q597-L600 PolarHBondContact O-N 3.35Å
598	G	70.7	Confident	87.7	Confident	33 Å²	33	37.6 Å²	37.6	34%	0.34	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	62.6	38.5	176.7	0	0	0	0	0	113.7	F596	F596-G598 PolarHBondContact O-N 3.32Å
599	M	73.9	Confident	87.4	Confident	142 Å²	142	40.2 Å²	40.2	70%	0.7	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	74.5	15.3	-179.7	-46.4	-174	68.5	0	0	115.9	V595 F596 Q597	V595-M599 HydrophobicContact CG1-CB 4.25Å; V595-M599 HydrophobicContact CG1-CG 4.01Å; F596-M599 PolarHBondContact O-N 3.44Å; Q597-M599 VanDerWaalsContact C-N 3.34Å; Q597-M599 PolarHBondContact O-N 2.86Å
600	L	80.4	Confident	87.1	Confident	56 Å²	56	35.5 Å²	35.5	29%	0.293	20%	0.203	S	C	.	.			trans	-74.4	140.6	168.6	-68.8	168.7	0	0	0	110.7	R501 Q597	R501-L600 HydrophobicContact CB-CD1 3.69Å; R501-L600 WeakPolarHBondContact O-CD1 3.5Å; Q597-L600 HydrophobicContact CB-CB 4.11Å; Q597-L600 WeakPolarHBondContact O-CG 3.34Å; Q597-L600 PolarHBondContact O-N 3.35Å
601	P	84.1	Confident	86.5	Confident	64 Å²	64	39.4 Å²	39.4	42%	0.416	23%	0.227	S	C	.	.			trans	-67.2	137.5	179.8	28.6	-34.3	0	0	0	110.7	G503 I504	G503-P601 WeakPolarHBondContact CA-O 3.43Å; I504-P601 PolarHBondContact N-O 2.99Å
602	I	90.5	Very high	85.7	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.8	168.7	-56.8	160.8	0	0	0	105.9	L489 I504 R589 F590 F596	L489-I602 HydrophobicContact CD1-CD1 3.88Å; L489-I602 HydrophobicContact CD2-CD1 4.08Å; I504-I602 HydrophobicContact CB-CG2 4.47Å; I504-I602 WeakPolarHBondContact O-CA 3.26Å; R589-I602 CarbonylContact C-O 3.2Å; R589-I602 WeakPolarHBondContact CA-O 3.49Å; F590-I602 HydrophobicContact CB-CB 4.3Å; F590-I602 HydrophobicContact CB-CG2 4.15Å; F590-I602 HydrophobicContact CD1-CD1 4.3Å; F590-I602 HydrophobicContact CD1-CG2 4.27Å; F590-I602 PolarHBondContact N-O 3.42Å; F596-I602 HydrophobicContact CB-CD1 4.47Å
603	C	93.6	Very high	84.6	Confident	14 Å²	14	42.8 Å²	42.8	10%	0.095	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.9	-177.3	-69.1	0	0	0	0	109.7	I504 D505 I506 V587 W588	I504-C603 PolarHBondContact O-N 3.45Å; D505-C603 CarbonylContact C-O 3.58Å; D505-C603 WeakPolarHBondContact CA-O 3.44Å; D505-C603 VanDerWaalsContact OD1-CB 3.3Å; D505-C603 WeakPolarHBondContact OD1-CB 2.95Å; I506-C603 PolarHBondContact N-O 3.42Å; V587-C603 HydrophobicContact CG1-CB 4.31Å; W588-C603 CarbonylContact O-C 3.6Å; W588-C603 WeakPolarHBondContact O-CA 3.4Å
604	V	94.1	Very high	83.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.4	172.6	-166	0	0	0	0	108.1	L484 I506 L508 I522 W536 W588 F606	L484-V604 HydrophobicContact CD2-CG2 4.4Å; I506-V604 HydrophobicContact CB-CG1 4.39Å; I506-V604 HydrophobicContact CB-CG2 4.49Å; I506-V604 HydrophobicContact CG2-CG1 4.26Å; I506-V604 CarbonylContact O-C 3.58Å; I506-V604 WeakPolarHBondContact O-CA 3.34Å; L508-V604 HydrophobicContact CD1-CG1 4.41Å; L508-V604 HydrophobicContact CG-CG1 4.41Å; I522-V604 HydrophobicContact CD1-CG1 4Å; W536-V604 HydrophobicContact CH2-CG2 3.93Å; W536-V604 HydrophobicContact CZ3-CB 4.18Å; W536-V604 HydrophobicContact CZ3-CG2 3.73Å; W588-V604 PolarHBondContact N-O 3.07Å; W588-V604 PolarHBondContact O-N 3.36Å; V604-F606 HydrophobicContact CB-CE1 4.15Å; V604-F606 HydrophobicContact CG1-CD1 4.04Å; V604-F606 HydrophobicContact CG1-CE1 3.46Å; V604-F606 VanDerWaalsContact CG1-CE1 3.46Å; V604-F606 HydrophobicContact CG1-CZ 4.41Å
605	H	93.8	Very high	81.7	Confident	24 Å²	24	50.6 Å²	50.6	11%	0.111	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117	-177.6	-59.7	-110.1	0	0	0	109.3	D505 I506 H507 L508 E586 V587 H607	D505-H605 IonicContact OD1-CD2 3.16Å; D505-H605 IonicContact OD1-CE1 2.88Å; D505-H605 IonicContact OD1-NE2 3.94Å; D505-H605 PolarHBondContact OD1-NE2 3.18Å; I506-H605 PolarHBondContact O-N 3.34Å; H507-H605 WeakPolarHBondContact CA-O 3.46Å; L508-H605 PolarHBondContact N-O 2.92Å; E586-H605 CarbonylContact O-C 3.26Å; E586-H605 WeakPolarHBondContact O-CA 3.4Å; V587-H605 WeakPolarHBondContact CG2-ND1 3.34Å; H605-H607 WeakPolarHBondContact CB-CE1 3.41Å; H605-H607 PolarHBondContact O-ND1 3.38Å
606	F	94.1	Very high	80.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.2	172.7	-50.7	-28.2	0	0	0	108.3	L508 I522 F555 F557 I574 K585 E586 W588 V604	L508-F606 HydrophobicContact CB-CD1 4.16Å; L508-F606 HydrophobicContact CD1-CD1 3.83Å; L508-F606 HydrophobicContact CD1-CE1 3.69Å; L508-F606 HydrophobicContact CG-CD1 4.29Å; L508-F606 HydrophobicContact CG-CE1 4.48Å; I522-F606 HydrophobicContact CD1-CE1 4.39Å; F555-F606 HydrophobicContact CB-CD2 3.95Å; F555-F606 HydrophobicContact CD1-CB 3.74Å; F555-F606 HydrophobicContact CD1-CD2 4.3Å; F555-F606 HydrophobicContact CD1-CG 4.32Å; F555-F606 HydrophobicContact CD2-CB 4.01Å; F555-F606 HydrophobicContact CD2-CD2 4.4Å; F555-F606 HydrophobicContact CE1-CB 3.63Å; F555-F606 HydrophobicContact CE2-CB 3.89Å; F555-F606 HydrophobicContact CG-CB 3.92Å; F555-F606 AromaticContact CG-CD2 3.97Å; F555-F606 HydrophobicContact CG-CD2 3.97Å; F555-F606 HydrophobicContact CG-CG 4.36Å; F555-F606 HydrophobicContact CZ-CB 3.69Å; F557-F606 HydrophobicContact CD1-CE2 4.04Å; F557-F606 HydrophobicContact CD1-CZ 4.48Å; F557-F606 AromaticContact CE1-CE2 3.74Å; F557-F606 HydrophobicContact CE1-CE2 3.74Å; F557-F606 HydrophobicContact CE1-CZ 4.21Å; F557-F606 HydrophobicContact CZ-CE2 4.39Å; F557-F606 HydrophobicContact CZ-CZ 4.49Å; I574-F606 HydrophobicContact CD1-CD1 4.35Å; I574-F606 HydrophobicContact CD1-CE1 3.5Å; I574-F606 VanDerWaalsContact CD1-CE1 3.5Å; I574-F606 HydrophobicContact CD1-CE2 4.42Å; I574-F606 HydrophobicContact CD1-CZ 3.55Å; I574-F606 HydrophobicContact CG1-CZ 4.4Å; I574-F606 HydrophobicContact CG2-CE2 4.48Å; K585-F606 CarbonylContact C-O 3.53Å; K585-F606 WeakPolarHBondContact CA-O 3.33Å; E586-F606 HydrophobicContact CB-CB 4.4Å; E586-F606 HydrophobicContact CB-CD2 4.27Å; E586-F606 PolarHBondContact N-O 3.4Å; E586-F606 PolarHBondContact O-N 3.42Å; W588-F606 AromaticContact CD1-CD2 3.59Å; W588-F606 AromaticContact CD1-CE2 3.25Å; W588-F606 AromaticContact CD1-CZ 3.94Å; W588-F606 HydrophobicContact CG-CE2 4.04Å; W588-F606 HydrophobicContact CG-CZ 4.4Å; W588-F606 AromaticContact NE1-CD2 3.81Å; W588-F606 AromaticContact NE1-CE2 3.55Å; V604-F606 HydrophobicContact CB-CE1 4.15Å; V604-F606 HydrophobicContact CG1-CD1 4.04Å; V604-F606 HydrophobicContact CG1-CE1 3.46Å; V604-F606 VanDerWaalsContact CG1-CE1 3.46Å; V604-F606 HydrophobicContact CG1-CZ 4.41Å
607	H	92.1	Very high	78.4	Confident	42 Å²	42	60.8 Å²	60.8	19%	0.194	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.4	176.1	-63.1	81.2	0	0	0	108.2	H507 L508 N509 F510 K585 H605	H507-H607 AromaticContact CE1-CE1 3.76Å; H507-H607 AromaticContact ND1-CE1 3.2Å; H507-H607 PolarHBondContact ND1-CE1 3.17Å; H507-H607 AromaticContact ND1-ND1 3.73Å; L508-H607 PolarHBondContact O-N 3.28Å; N509-H607 CarbonylContact C-O 3.52Å; N509-H607 VanDerWaalsContact CA-O 3.31Å; N509-H607 WeakPolarHBondContact CA-O 3.22Å; F510-H607 WeakPolarHBondContact CD2-O 3.25Å; F510-H607 PolarHBondContact N-O 3.49Å; K585-H607 VanDerWaalsContact CD-CD2 3.47Å; K585-H607 WeakPolarHBondContact CD-CD2 3.41Å; K585-H607 WeakPolarHBondContact CD-NE2 3.36Å; K585-H607 WeakPolarHBondContact CE-NE2 3.48Å; K585-H607 PolarHBondContact NZ-NE2 3.27Å; H605-H607 WeakPolarHBondContact CB-CE1 3.41Å; H605-H607 PolarHBondContact O-ND1 3.38Å
608	A	90.5	Very high	77.1	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.2	175.4	0	0	0	0	0	110.7	F510 F555 L576 I583 Y584	F510-A608 HydrophobicContact CB-CB 3.93Å; F510-A608 CarbonylContact O-C 3.59Å; F510-A608 VanDerWaalsContact O-CA 3.29Å; F510-A608 WeakPolarHBondContact O-CA 3.26Å; F555-A608 HydrophobicContact CE1-CB 3.73Å; F555-A608 HydrophobicContact CZ-CB 3.53Å; L576-A608 HydrophobicContact CD1-CB 3.62Å; L576-A608 HydrophobicContact CD2-CB 3.67Å; L576-A608 HydrophobicContact CG-CB 4.3Å; I583-A608 WeakPolarHBondContact CA-O 3.3Å; Y584-A608 PolarHBondContact N-O 3.28Å; Y584-A608 PolarHBondContact O-N 2.81Å
609	I	88.6	Confident	76.2	Confident	84 Å²	84	67.6 Å²	67.6	43%	0.431	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.6	171.3	-59.4	174.7	0	0	0	106.7	F510 N512 V611	F510-I609 PolarHBondContact O-N 2.79Å; N512-I609 PolarHBondContact N-O 2.68Å; I609-V611 HydrophobicContact CG2-CG2 4.01Å
610	S	86.6	Confident	75.2	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.7	177	-60.7	0	0	0	0	109.7	N512 S578 E581 G582	N512-S610 WeakPolarHBondContact O-CA 3.21Å; S578-S610 WeakPolarHBondContact CB-OG 3.49Å; S578-S610 WeakPolarHBondContact OG-CB 3.4Å; S578-S610 PolarHBondContact OG-OG 2.71Å; E581-S610 CarbonylContact C-O 3.35Å; E581-S610 WeakPolarHBondContact CA-O 3.44Å; E581-S610 WeakPolarHBondContact CB-O 3.25Å; G582-S610 PolarHBondContact N-O 3.2Å; G582-S610 PolarHBondContact O-N 3.08Å
611	V	81.1	Confident	73.6	Confident	84 Å²	84	69 Å²	69	51%	0.509	35%	0.352	S	S	.	.			trans	-139.3	121.5	178.7	178.7	0	0	0	0	108	N512 E513 I609	N512-V611 PolarHBondContact O-N 2.95Å; E513-V611 VanDerWaalsContact CA-O 3.28Å; E513-V611 WeakPolarHBondContact CA-O 3.37Å; I609-V611 HydrophobicContact CG2-CG2 4.01Å
612	W	74.4	Confident	72.1	Confident	22 Å²	22	69.9 Å²	69.9	8%	0.083	35%	0.353	C	S	.	.			trans	-114.1	105	-171.7	-52.9	-27.4	0	0	0	109.8	S514 P515 H579 E581 E614 Y615 H616	S514-W612 VanDerWaalsContact CA-CD1 3.43Å; S514-W612 VanDerWaalsContact N-CD1 3.29Å; S514-W612 PolarHBondContact O-NE1 3.26Å; S514-W612 VanDerWaalsContact O-NE1 3.14Å; P515-W612 HydrophobicContact CB-CH2 4.07Å; P515-W612 HydrophobicContact CB-CZ2 3.95Å; H579-W612 WeakPolarHBondContact O-CH2 3.49Å; E581-W612 HydrophobicContact CG-CB 4.29Å; E581-W612 HydrophobicContact CG-CD2 3.67Å; E581-W612 HydrophobicContact CG-CE3 3.67Å; E581-W612 HydrophobicContact CG-CG 3.96Å; E581-W612 HydrophobicContact CG-CZ3 4.28Å; E581-W612 WeakPolarHBondContact OE1-CA 3.31Å; E581-W612 VanDerWaalsContact OE1-CB 3.25Å; E581-W612 WeakPolarHBondContact OE1-CB 3.27Å; E581-W612 PolarHBondContact OE1-N 2.88Å; E581-W612 VanDerWaalsContact OE1-O 3.08Å; W612-E614 PolarHBondContact O-N 3.3Å; W612-Y615 HydrophobicContact CB-CD2 4.5Å; W612-Y615 HydrophobicContact CE3-CG 4.32Å; W612-Y615 PolarHBondContact O-N 3.23Å; W612-H616 PolarHBondContact O-N 2.71Å; W612-H616 VanDerWaalsContact O-N 3.16Å
613	P	67.1	Low	70.3	Confident	104 Å²	104	72.8 Å²	72.8	68%	0.675	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.5	-171.8	-26.1	32.9	0	0	0	114.3	E513	E513-P613 WeakPolarHBondContact O-CD 3.27Å
614	E	60.1	Low	68.5	Low	171 Å²	171	80.5 Å²	80.5	80%	0.799	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-17.3	-176.5	-71.4	161.5	175.4	0	0	113.4	W612	W612-E614 PolarHBondContact O-N 3.3Å
615	Y	53.5	Low	66.9	Low	119 Å²	119	82 Å²	82	47%	0.467	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-24.1	-172.9	-86.4	-93	0	0	0	114.3	W612 Q617 F618 C619	W612-Y615 HydrophobicContact CB-CD2 4.5Å; W612-Y615 HydrophobicContact CE3-CG 4.32Å; W612-Y615 PolarHBondContact O-N 3.23Å; Y615-Q617 VanDerWaalsContact C-N 3.33Å; Y615-Q617 PolarHBondContact O-N 3.18Å; Y615-F618 PolarHBondContact O-N 3.19Å; Y615-C619 PolarHBondContact O-N 3.42Å
616	H	52.3	Low	65.7	Low	113 Å²	113	86.3 Å²	86.3	52%	0.523	44%	0.441	S	S	.	.	H	α-helix	trans	-58	-42.2	-170.6	-165.1	54.2	0	0	0	113.4	E581 W612 F618	E581-H616 IonicContact OE1-ND1 3.77Å; E581-H616 IonicContact OE2-CE1 3.98Å; E581-H616 IonicContact OE2-CG 2.81Å; E581-H616 IonicContact OE2-ND1 3.33Å; E581-H616 PolarHBondContact OE2-ND1 3.03Å; W612-H616 PolarHBondContact O-N 2.71Å; W612-H616 VanDerWaalsContact O-N 3.16Å; H616-F618 PolarHBondContact O-N 3.37Å
617	Q	49.2	Very low	64.5	Low	171 Å²	171	93.1 Å²	93.1	80%	0.799	47%	0.47	S	S	*	.	H	α-helix	trans	-75.4	-22.2	-175.9	-113.9	177.4	4.8	0	0	113.9	Y615	Y615-Q617 VanDerWaalsContact C-N 3.33Å; Y615-Q617 PolarHBondContact O-N 3.18Å
618	F	49	Very low	63.5	Low	141 Å²	141	93.1 Å²	93.1	62%	0.618	47%	0.472	S	S	*	.	H	α-helix	trans	-100	-41.9	-172.6	-76.6	-81.4	0	0	0	113.3	Y615 H616 L622	Y615-F618 PolarHBondContact O-N 3.19Å; H616-F618 PolarHBondContact O-N 3.37Å; F618-L622 VanDerWaalsContact O-CB 3.26Å; F618-L622 WeakPolarHBondContact O-CB 3.46Å; F618-L622 VanDerWaalsContact O-CD1 3.32Å; F618-L622 WeakPolarHBondContact O-CD1 3.42Å; F618-L622 WeakPolarHBondContact O-CG 3.36Å; F618-L622 PolarHBondContact O-N 3.09Å
619	C	51	Low	62.8	Low	63 Å²	63	98.3 Å²	98.3	43%	0.426	50%	0.496	S	S	.	.	H	α-helix	trans	-88.2	-35.5	-168.3	-72.2	0	0	0	0	115.2	Y615 F621 L622 A623	Y615-C619 PolarHBondContact O-N 3.42Å; C619-F621 PolarHBondContact O-N 2.77Å; C619-L622 PolarHBondContact O-N 3.21Å; C619-A623 WeakPolarHBondContact O-CB 3.26Å; C619-A623 PolarHBondContact O-N 3.44Å
620	S	52	Low	62.3	Low	86 Å²	86	99.6 Å²	99.6	60%	0.601	50%	0.503	S	S	*	.	H	α-helix	trans	-65.3	-42.1	-178.5	-176	0	0	0	0	111.6
621	F	48.9	Very low	62.1	Low	141 Å²	141	105.1 Å²	105.1	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-68.9	-46.4	175.8	-173.2	-97.7	0	0	0	111.3	C619 D625	C619-F621 PolarHBondContact O-N 2.77Å; F621-D625 WeakPolarHBondContact CE1-OD2 3.34Å; F621-D625 WeakPolarHBondContact CZ-OD2 3.46Å; F621-D625 WeakPolarHBondContact O-CA 3.39Å; F621-D625 WeakPolarHBondContact O-CB 3.47Å; F621-D625 PolarHBondContact O-N 3.21Å
622	L	51.2	Low	62.1	Low	82 Å²	82	106.9 Å²	106.9	43%	0.429	53%	0.531	S	S	.	.	H	α-helix	trans	-70.2	-54.7	-177.8	-71.4	174.2	0	0	0	112.6	F618 C619 K624 D625 I628	F618-L622 VanDerWaalsContact O-CB 3.26Å; F618-L622 WeakPolarHBondContact O-CB 3.46Å; F618-L622 VanDerWaalsContact O-CD1 3.32Å; F618-L622 WeakPolarHBondContact O-CD1 3.42Å; F618-L622 WeakPolarHBondContact O-CG 3.36Å; F618-L622 PolarHBondContact O-N 3.09Å; C619-L622 PolarHBondContact O-N 3.21Å; L622-K624 PolarHBondContact O-N 3.14Å; L622-D625 PolarHBondContact O-N 3.01Å; L622-I628 VanDerWaalsContact C-CD1 3.44Å; L622-I628 HydrophobicContact CB-CD1 3.84Å; L622-I628 HydrophobicContact CD2-CD1 4.42Å; L622-I628 WeakPolarHBondContact O-CB 3.33Å; L622-I628 WeakPolarHBondContact O-CD1 3.41Å; L622-I628 WeakPolarHBondContact O-CG1 3.48Å
623	A	53.4	Low	62.6	Low	67 Å²	67	110.2 Å²	110.2	55%	0.554	55%	0.548	S	S	*	.	H	α-helix	trans	-62.2	-26.2	-168.2	0	0	0	0	0	114.1	C619	C619-A623 WeakPolarHBondContact O-CB 3.26Å; C619-A623 PolarHBondContact O-N 3.44Å
624	K	55.7	Low	63.6	Low	176 Å²	176	108 Å²	108	77%	0.765	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	11.3	175.3	-70.8	-175.9	-179.7	176.6	0	113.3	L622 I626	L622-K624 PolarHBondContact O-N 3.14Å; K624-I626 PolarHBondContact O-N 3.29Å
625	D	61	Low	64.9	Low	30 Å²	30	103.9 Å²	103.9	16%	0.16	52%	0.522	C	S	.	.			trans	-59.8	138	172.6	-148.8	-26.5	0	0	0	108.2	F621 L622 F627 I628 Q629	F621-D625 WeakPolarHBondContact CE1-OD2 3.34Å; F621-D625 WeakPolarHBondContact CZ-OD2 3.46Å; F621-D625 WeakPolarHBondContact O-CA 3.39Å; F621-D625 WeakPolarHBondContact O-CB 3.47Å; F621-D625 PolarHBondContact O-N 3.21Å; L622-D625 PolarHBondContact O-N 3.01Å; D625-F627 HydrophobicContact CB-CB 4.32Å; D625-F627 PolarHBondContact O-N 2.76Å; D625-F627 VanDerWaalsContact O-N 3.08Å; D625-F627 WeakPolarHBondContact OD1-CD2 3.33Å; D625-I628 HydrophobicContact CB-CG1 4.42Å; D625-I628 PolarHBondContact O-N 3.15Å; D625-Q629 PolarHBondContact O-N 3.23Å; D625-Q629 VanDerWaalsContact O-N 3.15Å
626	I	67.7	Low	66.6	Low	115 Å²	115	104.9 Å²	104.9	59%	0.59	53%	0.526	S	S	*	.	H	α-helix	trans	-55.4	-28.7	172.4	-111.1	159.1	0	0	0	109.8	K624 Q629 L630	K624-I626 PolarHBondContact O-N 3.29Å; I626-Q629 PolarHBondContact O-N 3.43Å; I626-L630 HydrophobicContact CG2-CD1 3.93Å; I626-L630 WeakPolarHBondContact O-CB 3.15Å; I626-L630 WeakPolarHBondContact O-CD1 3.2Å; I626-L630 VanDerWaalsContact O-CG 3.25Å; I626-L630 WeakPolarHBondContact O-CG 3.43Å; I626-L630 PolarHBondContact O-N 3.5Å
627	F	69.4	Low	68.4	Low	143 Å²	143	107.3 Å²	107.3	63%	0.627	53%	0.53	S	S	*	.	H	α-helix	trans	-65	-42.3	174.1	-70.3	-71.5	0	0	0	113.7	D625 L630 E631	D625-F627 HydrophobicContact CB-CB 4.32Å; D625-F627 PolarHBondContact O-N 2.76Å; D625-F627 VanDerWaalsContact O-N 3.08Å; D625-F627 WeakPolarHBondContact OD1-CD2 3.33Å; F627-L630 PolarHBondContact O-N 3.18Å; F627-E631 WeakPolarHBondContact O-CB 3.36Å; F627-E631 PolarHBondContact O-N 2.96Å
628	I	70.7	Confident	70.4	Confident	43 Å²	43	104.2 Å²	104.2	22%	0.221	52%	0.517	C	S	.	.	H	α-helix	trans	-68.9	-38.7	176.7	-65	-151	0	0	0	110.6	L622 D625 L630 E631 Q632	L622-I628 VanDerWaalsContact C-CD1 3.44Å; L622-I628 HydrophobicContact CB-CD1 3.84Å; L622-I628 HydrophobicContact CD2-CD1 4.42Å; L622-I628 WeakPolarHBondContact O-CB 3.33Å; L622-I628 WeakPolarHBondContact O-CD1 3.41Å; L622-I628 WeakPolarHBondContact O-CG1 3.48Å; D625-I628 HydrophobicContact CB-CG1 4.42Å; D625-I628 PolarHBondContact O-N 3.15Å; I628-L630 VanDerWaalsContact C-N 3.34Å; I628-L630 PolarHBondContact O-N 3.47Å; I628-E631 PolarHBondContact O-N 2.79Å; I628-Q632 HydrophobicContact CG2-CG 4.29Å; I628-Q632 WeakPolarHBondContact O-CB 3.28Å; I628-Q632 VanDerWaalsContact O-CG 3.29Å; I628-Q632 WeakPolarHBondContact O-CG 3.36Å; I628-Q632 PolarHBondContact O-N 3.43Å
629	Q	75.5	Confident	72.3	Confident	110 Å²	110	101.4 Å²	101.4	51%	0.514	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-41.9	174.2	-66.6	-172.7	8.1	0	0	111.8	D625 I626 Q632 E633	D625-Q629 PolarHBondContact O-N 3.23Å; D625-Q629 VanDerWaalsContact O-N 3.15Å; I626-Q629 PolarHBondContact O-N 3.43Å; Q629-Q632 PolarHBondContact O-N 3.1Å; Q629-E633 WeakPolarHBondContact O-CB 3.47Å; Q629-E633 PolarHBondContact O-N 3.29Å
630	L	78.9	Confident	74.1	Confident	110 Å²	110	104.4 Å²	104.4	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-62.6	-41.5	174.4	-80	164.6	0	0	0	111.9	I626 F627 I628 E633 A634	I626-L630 HydrophobicContact CG2-CD1 3.93Å; I626-L630 WeakPolarHBondContact O-CB 3.15Å; I626-L630 WeakPolarHBondContact O-CD1 3.2Å; I626-L630 VanDerWaalsContact O-CG 3.25Å; I626-L630 WeakPolarHBondContact O-CG 3.43Å; I626-L630 PolarHBondContact O-N 3.5Å; F627-L630 PolarHBondContact O-N 3.18Å; I628-L630 VanDerWaalsContact C-N 3.34Å; I628-L630 PolarHBondContact O-N 3.47Å; L630-E633 PolarHBondContact O-N 2.89Å; L630-A634 VanDerWaalsContact O-CB 3.25Å; L630-A634 WeakPolarHBondContact O-CB 3.3Å; L630-A634 PolarHBondContact O-N 2.86Å
631	E	81.7	Confident	75.9	Confident	116 Å²	116	106.4 Å²	106.4	54%	0.542	52%	0.515	S	S	.	.	H	α-helix	trans	-67.4	-42.1	177.5	-173.1	174.1	-168.5	0	0	111.8	F627 I628 A634 N635	F627-E631 WeakPolarHBondContact O-CB 3.36Å; F627-E631 PolarHBondContact O-N 2.96Å; I628-E631 PolarHBondContact O-N 2.79Å; E631-A634 PolarHBondContact O-N 2.76Å; E631-N635 VanDerWaalsContact O-CB 3.28Å; E631-N635 WeakPolarHBondContact O-CB 3.42Å; E631-N635 PolarHBondContact O-N 2.78Å; E631-N635 PolarHBondContact O-ND2 2.96Å
632	Q	80.9	Confident	78	Confident	121 Å²	121	104.8 Å²	104.8	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-60.8	-45.7	173.8	-75.3	176.9	3.2	0	0	111.8	I628 Q629 N635 Y636	I628-Q632 HydrophobicContact CG2-CG 4.29Å; I628-Q632 WeakPolarHBondContact O-CB 3.28Å; I628-Q632 VanDerWaalsContact O-CG 3.29Å; I628-Q632 WeakPolarHBondContact O-CG 3.36Å; I628-Q632 PolarHBondContact O-N 3.43Å; Q629-Q632 PolarHBondContact O-N 3.1Å; Q632-N635 PolarHBondContact O-N 2.95Å; Q632-Y636 VanDerWaalsContact O-CB 3.3Å; Q632-Y636 WeakPolarHBondContact O-CB 3.36Å; Q632-Y636 PolarHBondContact O-N 2.85Å
633	E	85.3	Confident	79.8	Confident	93 Å²	93	105.1 Å²	105.1	44%	0.435	51%	0.512	S	S	.	.	H	α-helix	trans	-66.6	-39.4	177.4	-177	60.8	-158.5	0	0	111.3	Q629 L630 Y636 R637	Q629-E633 WeakPolarHBondContact O-CB 3.47Å; Q629-E633 PolarHBondContact O-N 3.29Å; L630-E633 PolarHBondContact O-N 2.89Å; E633-Y636 PolarHBondContact O-N 3.41Å; E633-R637 WeakPolarHBondContact O-CB 3.22Å; E633-R637 WeakPolarHBondContact O-CG 3.17Å; E633-R637 PolarHBondContact O-N 2.81Å; E633-R637 IonicContact OE1-CZ 3.71Å; E633-R637 IonicContact OE1-NE 2.81Å; E633-R637 PolarHBondContact OE1-NE 2.86Å; E633-R637 IonicContact OE1-NH2 3.74Å
634	A	88.8	Confident	81.4	Confident	58 Å²	58	105.6 Å²	105.6	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-44.4	174.6	0	0	0	0	0	111.8	L630 E631 R637 M638	L630-A634 VanDerWaalsContact O-CB 3.25Å; L630-A634 WeakPolarHBondContact O-CB 3.3Å; L630-A634 PolarHBondContact O-N 2.86Å; E631-A634 PolarHBondContact O-N 2.76Å; A634-R637 PolarHBondContact O-N 2.89Å; A634-M638 WeakPolarHBondContact O-CB 3.24Å; A634-M638 PolarHBondContact O-N 2.86Å
635	N	85.9	Confident	82.9	Confident	83 Å²	83	102 Å²	102	44%	0.444	49%	0.492	S	S	.	.	H	α-helix	trans	-64.2	-43.2	175.6	-75.3	-22.4	0	0	0	111.3	E631 Q632 R637 M638 V639	E631-N635 VanDerWaalsContact O-CB 3.28Å; E631-N635 WeakPolarHBondContact O-CB 3.42Å; E631-N635 PolarHBondContact O-N 2.78Å; E631-N635 PolarHBondContact O-ND2 2.96Å; Q632-N635 PolarHBondContact O-N 2.95Å; N635-R637 PolarHBondContact O-N 2.86Å; N635-M638 PolarHBondContact O-N 3.21Å; N635-V639 WeakPolarHBondContact O-CB 3.47Å; N635-V639 VanDerWaalsContact O-CG2 3.29Å; N635-V639 WeakPolarHBondContact O-CG2 3.18Å; N635-V639 PolarHBondContact O-N 2.83Å
636	Y	89.9	Confident	84.1	Confident	141 Å²	141	105.6 Å²	105.6	55%	0.553	51%	0.51	S	S	*	.	H	α-helix	trans	-58.2	-47.8	174.2	176.1	-96.4	0	0	0	111.3	Q632 E633 M638 V639 Y640	Q632-Y636 VanDerWaalsContact O-CB 3.3Å; Q632-Y636 WeakPolarHBondContact O-CB 3.36Å; Q632-Y636 PolarHBondContact O-N 2.85Å; E633-Y636 PolarHBondContact O-N 3.41Å; Y636-M638 VanDerWaalsContact C-N 3.33Å; Y636-M638 PolarHBondContact O-N 3.49Å; Y636-V639 PolarHBondContact O-N 2.83Å; Y636-Y640 VanDerWaalsContact O-CB 3.25Å; Y636-Y640 WeakPolarHBondContact O-CB 3.43Å; Y636-Y640 PolarHBondContact O-N 2.91Å
637	R	90.4	Very high	84.8	Confident	163 Å²	163	104.7 Å²	104.7	62%	0.615	51%	0.506	S	S	*	.	H	α-helix	trans	-59.8	-42.4	176.4	-71.4	-87.1	-176.8	118.9	0.1	112	E633 A634 N635 Q641	E633-R637 WeakPolarHBondContact O-CB 3.22Å; E633-R637 WeakPolarHBondContact O-CG 3.17Å; E633-R637 PolarHBondContact O-N 2.81Å; E633-R637 IonicContact OE1-CZ 3.71Å; E633-R637 IonicContact OE1-NE 2.81Å; E633-R637 PolarHBondContact OE1-NE 2.86Å; E633-R637 IonicContact OE1-NH2 3.74Å; A634-R637 PolarHBondContact O-N 2.89Å; N635-R637 PolarHBondContact O-N 2.86Å; R637-Q641 WeakPolarHBondContact O-CG 3.49Å; R637-Q641 PolarHBondContact O-N 2.66Å
638	M	90.7	Very high	85.3	Confident	106 Å²	106	104.8 Å²	104.8	52%	0.522	51%	0.51	S	S	.	.	H	α-helix	trans	-67.1	-47.8	179.1	-166.8	-171.6	-165	0	0	111.4	A634 N635 Y636 Y640 Q641 M642	A634-M638 WeakPolarHBondContact O-CB 3.24Å; A634-M638 PolarHBondContact O-N 2.86Å; N635-M638 PolarHBondContact O-N 3.21Å; Y636-M638 VanDerWaalsContact C-N 3.33Å; Y636-M638 PolarHBondContact O-N 3.49Å; M638-Y640 VanDerWaalsContact C-N 3.34Å; M638-Y640 PolarHBondContact O-N 3.22Å; M638-Q641 PolarHBondContact O-N 2.83Å; M638-M642 HydrophobicContact CE-CE 3.61Å; M638-M642 HydrophobicContact CG-CE 4.18Å; M638-M642 WeakPolarHBondContact O-CG 3.27Å; M638-M642 PolarHBondContact O-N 2.99Å; M638-M642 HydrophobicContact SD-CE 4.18Å
639	V	89.3	Confident	85.8	Confident	83 Å²	83	108.7 Å²	108.7	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-60.3	-45.9	175.9	170.8	0	0	0	0	109.9	N635 Y636 Q641 M642 L643	N635-V639 WeakPolarHBondContact O-CB 3.47Å; N635-V639 VanDerWaalsContact O-CG2 3.29Å; N635-V639 WeakPolarHBondContact O-CG2 3.18Å; N635-V639 PolarHBondContact O-N 2.83Å; Y636-V639 PolarHBondContact O-N 2.83Å; V639-Q641 VanDerWaalsContact C-N 3.32Å; V639-Q641 PolarHBondContact O-N 3.48Å; V639-M642 CarbonylContact O-C 3.48Å; V639-M642 PolarHBondContact O-N 2.92Å; V639-M642 VanDerWaalsContact O-N 3.12Å; V639-L643 HydrophobicContact CG1-CD1 4.29Å; V639-L643 WeakPolarHBondContact O-CB 3.2Å; V639-L643 PolarHBondContact O-N 3.12Å
640	Y	89.1	Confident	86	Confident	125 Å²	125	108.3 Å²	108.3	49%	0.49	53%	0.532	S	S	.	.	H	α-helix	trans	-58.4	-43.8	177.2	-170.4	-90	0	0	0	111.6	Y636 M638 L643 Q644	Y636-Y640 VanDerWaalsContact O-CB 3.25Å; Y636-Y640 WeakPolarHBondContact O-CB 3.43Å; Y636-Y640 PolarHBondContact O-N 2.91Å; M638-Y640 VanDerWaalsContact C-N 3.34Å; M638-Y640 PolarHBondContact O-N 3.22Å; Y640-L643 PolarHBondContact O-N 3.33Å; Y640-Q644 HydrophobicContact CD1-CG 3.92Å; Y640-Q644 HydrophobicContact CE1-CG 3.63Å; Y640-Q644 WeakPolarHBondContact O-CB 3.36Å; Y640-Q644 VanDerWaalsContact O-CG 3.25Å; Y640-Q644 WeakPolarHBondContact O-CG 3.43Å; Y640-Q644 PolarHBondContact O-N 3.43Å; Y640-Q644 PolarHBondContact OH-NE2 3.21Å
641	Q	90.3	Very high	85.6	Confident	129 Å²	129	111.4 Å²	111.4	60%	0.603	54%	0.543	S	S	*	.	H	α-helix	trans	-63.1	-42.7	173.3	-81.3	-176.3	-10.3	0	0	112.8	R637 M638 V639 L643 Q644 N645	R637-Q641 WeakPolarHBondContact O-CG 3.49Å; R637-Q641 PolarHBondContact O-N 2.66Å; M638-Q641 PolarHBondContact O-N 2.83Å; V639-Q641 VanDerWaalsContact C-N 3.32Å; V639-Q641 PolarHBondContact O-N 3.48Å; Q641-L643 VanDerWaalsContact C-N 3.35Å; Q641-Q644 PolarHBondContact O-N 3.46Å; Q641-N645 WeakPolarHBondContact O-CB 3.36Å; Q641-N645 PolarHBondContact O-N 2.79Å; Q641-N645 PolarHBondContact O-ND2 3.47Å
642	M	91.6	Very high	84.9	Confident	106 Å²	106	111 Å²	111	52%	0.522	55%	0.55	S	S	.	*	H	α-helix	trans	-63.8	-40.6	176	-71.6	-160.4	-171.5	0	0	112	M638 V639 N645 L646	M638-M642 HydrophobicContact CE-CE 3.61Å; M638-M642 HydrophobicContact CG-CE 4.18Å; M638-M642 WeakPolarHBondContact O-CG 3.27Å; M638-M642 PolarHBondContact O-N 2.99Å; M638-M642 HydrophobicContact SD-CE 4.18Å; V639-M642 CarbonylContact O-C 3.48Å; V639-M642 PolarHBondContact O-N 2.92Å; V639-M642 VanDerWaalsContact O-N 3.12Å; M642-N645 PolarHBondContact O-N 2.98Å; M642-L646 WeakPolarHBondContact O-CB 3.49Å; M642-L646 PolarHBondContact O-N 2.75Å
643	L	89.8	Confident	84.1	Confident	90 Å²	90	114 Å²	114	47%	0.471	57%	0.565	S	S	.	*	H	α-helix	trans	-68.7	-42.1	179.2	-128.8	153.3	0	0	0	110.7	V639 Y640 Q641 L646 I647	V639-L643 HydrophobicContact CG1-CD1 4.29Å; V639-L643 WeakPolarHBondContact O-CB 3.2Å; V639-L643 PolarHBondContact O-N 3.12Å; Y640-L643 PolarHBondContact O-N 3.33Å; Q641-L643 VanDerWaalsContact C-N 3.35Å; L643-L646 PolarHBondContact O-N 3.49Å; L643-I647 HydrophobicContact CD2-CD1 3.62Å; L643-I647 HydrophobicContact CD2-CG1 4.09Å; L643-I647 WeakPolarHBondContact O-CB 3.31Å; L643-I647 WeakPolarHBondContact O-CG1 3.46Å; L643-I647 PolarHBondContact O-N 3.02Å
644	Q	86.2	Confident	83	Confident	77 Å²	77	118.7 Å²	118.7	36%	0.36	59%	0.586	S	S	.	*	H	α-helix	trans	-59.5	-46.9	170.6	-75.4	-68.7	-34.7	0	0	111.1	Y640 Q641 L646 I647 M648	Y640-Q644 HydrophobicContact CD1-CG 3.92Å; Y640-Q644 HydrophobicContact CE1-CG 3.63Å; Y640-Q644 WeakPolarHBondContact O-CB 3.36Å; Y640-Q644 VanDerWaalsContact O-CG 3.25Å; Y640-Q644 WeakPolarHBondContact O-CG 3.43Å; Y640-Q644 PolarHBondContact O-N 3.43Å; Y640-Q644 PolarHBondContact OH-NE2 3.21Å; Q641-Q644 PolarHBondContact O-N 3.46Å; Q644-L646 VanDerWaalsContact C-N 3.35Å; Q644-L646 PolarHBondContact O-N 3.09Å; Q644-I647 PolarHBondContact O-N 2.8Å; Q644-M648 WeakPolarHBondContact O-CB 3.37Å; Q644-M648 WeakPolarHBondContact O-CG 3.32Å; Q644-M648 PolarHBondContact O-N 3.38Å
645	N	87.2	Confident	81.7	Confident	100 Å²	100	125.8 Å²	125.8	54%	0.535	60%	0.601	S	S	.	*	H	α-helix	trans	-62.6	-40.7	176.4	-73	-15.2	0	0	0	112.1	Q641 M642 N649	Q641-N645 WeakPolarHBondContact O-CB 3.36Å; Q641-N645 PolarHBondContact O-N 2.79Å; Q641-N645 PolarHBondContact O-ND2 3.47Å; M642-N645 PolarHBondContact O-N 2.98Å; N645-N649 WeakPolarHBondContact O-CB 3.32Å; N645-N649 PolarHBondContact O-N 3.33Å; N645-N649 PolarHBondContact O-ND2 3.02Å; N645-N649 VanDerWaalsContact O-ND2 3.08Å
646	L	85.8	Confident	80.2	Confident	105 Å²	105	126.8 Å²	126.8	55%	0.55	61%	0.612	S	S	.	*	H	α-helix	trans	-63.2	-51.4	174.3	-93.6	163.3	0	0	0	110.8	M642 L643 Q644 M648 N649 I650	M642-L646 WeakPolarHBondContact O-CB 3.49Å; M642-L646 PolarHBondContact O-N 2.75Å; L643-L646 PolarHBondContact O-N 3.49Å; Q644-L646 VanDerWaalsContact C-N 3.35Å; Q644-L646 PolarHBondContact O-N 3.09Å; L646-M648 VanDerWaalsContact C-N 3.27Å; L646-M648 PolarHBondContact O-N 3.05Å; L646-N649 CarbonylContact O-C 3.58Å; L646-N649 PolarHBondContact O-N 2.8Å; L646-I650 HydrophobicContact CB-CD1 4.32Å; L646-I650 WeakPolarHBondContact O-CB 3.29Å; L646-I650 WeakPolarHBondContact O-CD1 3.31Å; L646-I650 WeakPolarHBondContact O-CG1 3.34Å; L646-I650 PolarHBondContact O-N 2.66Å
647	I	82.9	Confident	78.3	Confident	96 Å²	96	125.3 Å²	125.3	49%	0.492	62%	0.62	S	S	.	*	H	α-helix	trans	-57	-43.4	178.7	-70.8	165.4	0	0	0	110.8	L643 Q644 N649	L643-I647 HydrophobicContact CD2-CD1 3.62Å; L643-I647 HydrophobicContact CD2-CG1 4.09Å; L643-I647 WeakPolarHBondContact O-CB 3.31Å; L643-I647 WeakPolarHBondContact O-CG1 3.46Å; L643-I647 PolarHBondContact O-N 3.02Å; Q644-I647 PolarHBondContact O-N 2.8Å; I647-N649 VanDerWaalsContact C-N 3.31Å; I647-N649 PolarHBondContact O-N 3.31Å
648	M	80.9	Confident	76.2	Confident	145 Å²	145	122 Å²	122	71%	0.714	62%	0.622	S	S	*	*	H	α-helix	trans	-70.8	-26.3	179	-66.1	-64.6	-76.3	0	0	113	Q644 L646	Q644-M648 WeakPolarHBondContact O-CB 3.37Å; Q644-M648 WeakPolarHBondContact O-CG 3.32Å; Q644-M648 PolarHBondContact O-N 3.38Å; L646-M648 VanDerWaalsContact C-N 3.27Å; L646-M648 PolarHBondContact O-N 3.05Å
649	N	81.5	Confident	74.2	Confident	125 Å²	125	122.7 Å²	122.7	67%	0.668	63%	0.634	S	S	*	*	H	α-helix	trans	-100.6	-9.8	-179.7	-66.3	-25.1	0	0	0	114	N645 L646 I647 Q651	N645-N649 WeakPolarHBondContact O-CB 3.32Å; N645-N649 PolarHBondContact O-N 3.33Å; N645-N649 PolarHBondContact O-ND2 3.02Å; N645-N649 VanDerWaalsContact O-ND2 3.08Å; L646-N649 CarbonylContact O-C 3.58Å; L646-N649 PolarHBondContact O-N 2.8Å; I647-N649 VanDerWaalsContact C-N 3.31Å; I647-N649 PolarHBondContact O-N 3.31Å; N649-Q651 PolarHBondContact O-N 3.37Å
650	I	78.4	Confident	72.4	Confident	103 Å²	103	126 Å²	126	53%	0.528	65%	0.647	S	S	.	*			trans	-69.5	101.2	172.9	-76.2	157.9	0	0	0	106.1	L646 P652	L646-I650 HydrophobicContact CB-CD1 4.32Å; L646-I650 WeakPolarHBondContact O-CB 3.29Å; L646-I650 WeakPolarHBondContact O-CD1 3.31Å; L646-I650 WeakPolarHBondContact O-CG1 3.34Å; L646-I650 PolarHBondContact O-N 2.66Å; I650-P652 WeakPolarHBondContact O-CD 3.49Å
651	Q	70.1	Confident	70.6	Confident	174 Å²	174	127.3 Å²	127.3	81%	0.813	66%	0.662	S	S	*	*			trans	-81.5	99.2	161.2	-69.6	-89	-40.7	0	0	105.6	N649 E653	N649-Q651 PolarHBondContact O-N 3.37Å; Q651-E653 PolarHBondContact O-N 2.74Å
652	P	68.5	Low	69.2	Low	107 Å²	107	129.2 Å²	129.2	70%	0.695	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-55.4	129.4	170.6	23.5	-31.3	0	0	0	107.4	I650 E654	I650-P652 WeakPolarHBondContact O-CD 3.49Å; P652-E654 PolarHBondContact O-N 3.29Å
653	E	63.6	Low	67.6	Low	186 Å²	186	126.6 Å²	126.6	87%	0.869	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-50.6	132.5	173.6	-75.6	-169.6	166.4	0	0	108.5	Q651 R655	Q651-E653 PolarHBondContact O-N 2.74Å; E653-R655 PolarHBondContact O-N 3.07Å
654	E	62.8	Low	66.4	Low	190 Å²	190	128.8 Å²	128.8	89%	0.888	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-52.1	120.6	177.2	-165.5	173.2	-157.2	0	0	107.2	P652	P652-E654 PolarHBondContact O-N 3.29Å
655	R	61.2	Low	65.8	Low	208 Å²	208	128.5 Å²	128.5	79%	0.785	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-48.1	123.2	-175.8	-177.2	-167.7	-169.3	97.2	-1.5	107	E653 P657	E653-R655 PolarHBondContact O-N 3.07Å; R655-P657 VanDerWaalsContact O-N 3.08Å
656	P	55	Low	65.4	Low	104 Å²	104	125.8 Å²	125.8	68%	0.675	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-53.8	127.1	176.4	19.3	-29.9	0	0	0	107	S658	P656-S658 PolarHBondContact O-N 3.05Å
657	P	49	Very low	65	Low	110 Å²	110	125.9 Å²	125.9	71%	0.714	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-52.7	135.9	179.2	19.3	-29.8	0	0	0	107.5	R655	R655-P657 VanDerWaalsContact O-N 3.08Å
658	S	45.7	Very low	64.7	Low	94 Å²	94	123 Å²	123	66%	0.657	65%	0.649	S	S	*	*			trans	-44.8	130.5	173.7	-62.8	0	0	0	0	107.8	P656 I660	P656-S658 PolarHBondContact O-N 3.05Å; S658-I660 PolarHBondContact O-N 2.94Å
659	P	48.8	Very low	64.7	Low	119 Å²	119	118.8 Å²	118.8	77%	0.773	63%	0.629	S	S	*	*			trans	-47.8	119.2	-174.7	16.1	-29.2	0	0	0	108	L661	P659-L661 PolarHBondContact O-N 2.82Å
660	I	52.9	Low	64.8	Low	152 Å²	152	112.8 Å²	112.8	78%	0.779	60%	0.597	S	S	*	*			trans	-54	114.8	-179.9	-60.9	165.1	0	0	0	104.3	S658 E662	S658-I660 PolarHBondContact O-N 2.94Å; I660-E662 PolarHBondContact O-N 3Å
661	L	51.3	Low	64.8	Low	153 Å²	153	111.3 Å²	111.3	80%	0.801	59%	0.593	S	S	*	*			trans	-53.7	113	176.6	-87.1	116	0	0	0	106.1	P659 P663	P659-L661 PolarHBondContact O-N 2.82Å; L661-P663 VanDerWaalsContact O-N 3.15Å
662	E	59.4	Low	65.3	Low	170 Å²	170	109.2 Å²	109.2	79%	0.794	59%	0.587	S	S	*	*			trans	-52.5	126.5	172.7	-73	-175.7	167.2	0	0	106.6	I660 N664	I660-E662 PolarHBondContact O-N 3Å; E662-N664 VanDerWaalsContact C-N 3.35Å; E662-N664 PolarHBondContact O-N 3.44Å
663	P	57.7	Low	65.9	Low	51 Å²	51	106.9 Å²	106.9	33%	0.331	57%	0.571	S	S	.	*			trans	-64.2	98.8	-174.7	25.3	-33.4	0	0	0	108.4	L661 A668 I669 L672	L661-P663 VanDerWaalsContact O-N 3.15Å; P663-A668 HydrophobicContact CB-CB 3.41Å; P663-A668 VanDerWaalsContact CB-CB 3.41Å; P663-I669 HydrophobicContact CB-CG1 4.1Å; P663-I669 HydrophobicContact CG-CG1 4.35Å; P663-I669 WeakPolarHBondContact O-CD1 3.29Å; P663-I669 VanDerWaalsContact O-CG1 3.24Å; P663-I669 WeakPolarHBondContact O-CG1 3.43Å; P663-L672 HydrophobicContact CG-CD2 4.26Å
664	N	65.1	Low	66.8	Low	136 Å²	136	98.3 Å²	98.3	73%	0.727	53%	0.531	S	S	*	.			trans	-91.1	-14.3	-178.2	63.9	-8.6	0	0	0	112.2	E662	E662-N664 VanDerWaalsContact C-N 3.35Å; E662-N664 PolarHBondContact O-N 3.44Å
665	T	73.7	Confident	67.6	Low	70 Å²	70	94.2 Å²	94.2	43%	0.429	52%	0.521	S	S	.	.	S	Bend	trans	-94	145.5	177.3	54.9	0	0	0	0	111.4	E667 A668 I669	T665-E667 PolarHBondContact O-N 2.89Å; T665-A668 PolarHBondContact O-N 2.89Å; T665-A668 VanDerWaalsContact O-N 3.16Å; T665-A668 WeakPolarHBondContact OG1-CB 3.31Å; T665-I669 WeakPolarHBondContact O-CG1 3.32Å; T665-I669 PolarHBondContact O-N 3.03Å; T665-I669 VanDerWaalsContact O-N 3.13Å
666	E	78.9	Confident	68.6	Low	43 Å²	43	90.8 Å²	90.8	20%	0.201	52%	0.518	C	S	.	.	H	α-helix	trans	-51.1	-39.9	174	176.7	172.5	165.6	0	0	111.9	I669 F670 Y679 V684 Q685 Y718	E666-I669 PolarHBondContact O-N 2.79Å; E666-F670 VanDerWaalsContact O-CB 3.3Å; E666-F670 WeakPolarHBondContact O-CB 3.35Å; E666-F670 PolarHBondContact O-N 3.17Å; E666-Y679 HydrophobicContact CG-CE2 3.77Å; E666-Y679 PolarHBondContact OE1-OH 3.34Å; E666-V684 VanDerWaalsContact OE1-CG1 3.27Å; E666-V684 WeakPolarHBondContact OE1-CG1 3.32Å; E666-Q685 PolarHBondContact OE1-NE2 3.43Å; E666-Q685 PolarHBondContact OE2-NE2 3.01Å; E666-Y718 HydrophobicContact CG-CE1 3.64Å; E666-Y718 WeakPolarHBondContact CG-OH 3.35Å
667	E	77.9	Confident	69.9	Low	108 Å²	108	87.6 Å²	87.6	51%	0.505	49%	0.493	S	S	.	.	H	α-helix	trans	-64.3	-44.3	-178.9	-33.2	-163.4	142.2	0	0	112	T665 F670 T671 Y679	T665-E667 PolarHBondContact O-N 2.89Å; E667-F670 PolarHBondContact O-N 3.49Å; E667-T671 WeakPolarHBondContact O-CB 3.35Å; E667-T671 PolarHBondContact O-N 3.27Å; E667-T671 PolarHBondContact O-OG1 3.39Å; E667-Y679 HydrophobicContact CB-CD1 3.71Å; E667-Y679 HydrophobicContact CB-CD2 4.41Å; E667-Y679 HydrophobicContact CB-CE1 3.95Å; E667-Y679 HydrophobicContact CB-CG 3.94Å; E667-Y679 HydrophobicContact CG-CD1 3.61Å; E667-Y679 HydrophobicContact CG-CE1 3.35Å; E667-Y679 HydrophobicContact CG-CG 4.29Å; E667-Y679 WeakPolarHBondContact OE1-CE1 3.45Å
668	A	77.3	Confident	71.4	Confident	35 Å²	35	88 Å²	88	29%	0.289	48%	0.482	S	S	.	.	H	α-helix	trans	-70	-39.8	-178.3	0	0	0	0	0	111.3	P663 T665 T671 L672	P663-A668 HydrophobicContact CB-CB 3.41Å; P663-A668 VanDerWaalsContact CB-CB 3.41Å; T665-A668 PolarHBondContact O-N 2.89Å; T665-A668 VanDerWaalsContact O-N 3.16Å; T665-A668 WeakPolarHBondContact OG1-CB 3.31Å; A668-T671 PolarHBondContact O-N 3.18Å; A668-L672 WeakPolarHBondContact O-CB 3.47Å; A668-L672 PolarHBondContact O-N 3.45Å
669	I	79.4	Confident	73.1	Confident	56 Å²	56	85.3 Å²	85.3	29%	0.287	46%	0.457	S	S	.	.	H	α-helix	trans	-64.5	-44.3	175.3	-60.2	167.7	0	0	0	110.5	P663 T665 E666 T673 Y718	P663-I669 HydrophobicContact CB-CG1 4.1Å; P663-I669 HydrophobicContact CG-CG1 4.35Å; P663-I669 WeakPolarHBondContact O-CD1 3.29Å; P663-I669 VanDerWaalsContact O-CG1 3.24Å; P663-I669 WeakPolarHBondContact O-CG1 3.43Å; T665-I669 WeakPolarHBondContact O-CG1 3.32Å; T665-I669 PolarHBondContact O-N 3.03Å; T665-I669 VanDerWaalsContact O-N 3.13Å; E666-I669 PolarHBondContact O-N 2.79Å; I669-T673 WeakPolarHBondContact O-CB 3.35Å; I669-T673 PolarHBondContact O-N 3.43Å; I669-T673 PolarHBondContact O-OG1 2.99Å; I669-Y718 HydrophobicContact CB-CD2 4.49Å; I669-Y718 HydrophobicContact CG2-CD2 3.81Å; I669-Y718 HydrophobicContact CG2-CE2 4.41Å
670	F	83.9	Confident	74.5	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-62.3	-45.9	178	178.5	-87	0	0	0	111.9	E666 E667 T673 N674 F677 Y679 V684 Y718 I720 L757	E666-F670 VanDerWaalsContact O-CB 3.3Å; E666-F670 WeakPolarHBondContact O-CB 3.35Å; E666-F670 PolarHBondContact O-N 3.17Å; E667-F670 PolarHBondContact O-N 3.49Å; F670-T673 PolarHBondContact O-N 3.1Å; F670-N674 HydrophobicContact CE1-CB 4.35Å; F670-N674 HydrophobicContact CZ-CB 4.32Å; F670-N674 WeakPolarHBondContact O-CB 3.42Å; F670-N674 PolarHBondContact O-N 3.05Å; F670-N674 PolarHBondContact O-ND2 3.16Å; F670-F677 HydrophobicContact CE1-CB 4.11Å; F670-F677 HydrophobicContact CZ-CB 4.14Å; F670-Y679 HydrophobicContact CB-CD2 3.79Å; F670-Y679 HydrophobicContact CB-CE2 4.46Å; F670-Y679 AromaticContact CD1-CD2 3.89Å; F670-Y679 HydrophobicContact CD1-CD2 3.89Å; F670-Y679 HydrophobicContact CD1-CG 4.34Å; F670-Y679 HydrophobicContact CD2-CD2 4.45Å; F670-Y679 AromaticContact CG-CD2 3.78Å; F670-Y679 HydrophobicContact CG-CD2 3.78Å; F670-V684 HydrophobicContact CD2-CG1 4.27Å; F670-V684 HydrophobicContact CD2-CG2 3.75Å; F670-V684 HydrophobicContact CE2-CG2 3.65Å; F670-V684 HydrophobicContact CG-CG2 4.34Å; F670-V684 HydrophobicContact CZ-CG2 4.15Å; F670-Y718 HydrophobicContact CD2-CD1 4.43Å; F670-I720 HydrophobicContact CE2-CD1 4.02Å; F670-I720 HydrophobicContact CE2-CG1 4.38Å; F670-I720 HydrophobicContact CZ-CD1 3.83Å; F670-L757 HydrophobicContact CZ-CD1 4.02Å; F670-L757 HydrophobicContact CZ-CD2 4.15Å
671	T	79	Confident	75.9	Confident	72 Å²	72	79.2 Å²	79.2	44%	0.442	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-40.2	-178.3	-52.5	0	0	0	0	111.4	E667 A668 T673 N674	E667-T671 WeakPolarHBondContact O-CB 3.35Å; E667-T671 PolarHBondContact O-N 3.27Å; E667-T671 PolarHBondContact O-OG1 3.39Å; A668-T671 PolarHBondContact O-N 3.18Å; T671-T673 VanDerWaalsContact C-N 3.34Å; T671-T673 PolarHBondContact O-N 2.94Å; T671-N674 CarbonylContact O-C 3.57Å
672	L	80.4	Confident	77.5	Confident	130 Å²	130	77 Å²	77	68%	0.681	40%	0.4	S	S	*	.	H	α-helix	trans	-64.6	-39	175.2	-175.3	68.2	0	0	0	112.1	P663 A668	P663-L672 HydrophobicContact CG-CD2 4.26Å; A668-L672 WeakPolarHBondContact O-CB 3.47Å; A668-L672 PolarHBondContact O-N 3.45Å
673	T	81.4	Confident	78.7	Confident	58 Å²	58	68.9 Å²	68.9	36%	0.356	36%	0.362	S	S	.	.	H	α-helix	trans	-78.9	-28.8	-177.4	-49.7	0	0	0	0	112.3	I669 F670 T671	I669-T673 WeakPolarHBondContact O-CB 3.35Å; I669-T673 PolarHBondContact O-N 3.43Å; I669-T673 PolarHBondContact O-OG1 2.99Å; F670-T673 PolarHBondContact O-N 3.1Å; T671-T673 VanDerWaalsContact C-N 3.34Å; T671-T673 PolarHBondContact O-N 2.94Å
674	N	83.2	Confident	80	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.032	35%	0.346	C	S	.	.			trans	-131	70.8	-173.8	-52.7	-81.4	0	0	0	110.9	F670 T671 N676 F677 Y718 I720	F670-N674 HydrophobicContact CE1-CB 4.35Å; F670-N674 HydrophobicContact CZ-CB 4.32Å; F670-N674 WeakPolarHBondContact O-CB 3.42Å; F670-N674 PolarHBondContact O-N 3.05Å; F670-N674 PolarHBondContact O-ND2 3.16Å; T671-N674 CarbonylContact O-C 3.57Å; N674-N676 PolarHBondContact O-N 2.78Å; N674-F677 HydrophobicContact CB-CB 4.09Å; N674-F677 HydrophobicContact CB-CD2 3.95Å; N674-F677 HydrophobicContact CB-CG 4.48Å; N674-F677 PolarHBondContact O-N 2.89Å; N674-Y718 PolarHBondContact ND2-O 3.3Å; N674-I720 HydrophobicContact CB-CD1 4.22Å; N674-I720 WeakPolarHBondContact OD1-CB 3.3Å; N674-I720 WeakPolarHBondContact OD1-CG1 3.36Å; N674-I720 PolarHBondContact OD1-N 3.18Å
675	P	78.6	Confident	81	Confident	104 Å²	104	63.1 Å²	63.1	68%	0.675	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.6	-172	21.8	-33.6	0	0	0	115.1
676	N	81.3	Confident	81.5	Confident	135 Å²	135	64.5 Å²	64.5	72%	0.722	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	5.7	179.6	-62.5	-8.8	0	0	0	113.4	N674	N674-N676 PolarHBondContact O-N 2.78Å
677	F	82.9	Confident	81.8	Confident	38 Å²	38	62.4 Å²	62.4	17%	0.167	32%	0.316	C	S	.	.	S	Bend	trans	-127.5	141.4	-175.3	-66.2	-77.7	0	0	0	110.6	F670 N674 I720 V754 L757 V758	F670-F677 HydrophobicContact CE1-CB 4.11Å; F670-F677 HydrophobicContact CZ-CB 4.14Å; N674-F677 HydrophobicContact CB-CB 4.09Å; N674-F677 HydrophobicContact CB-CD2 3.95Å; N674-F677 HydrophobicContact CB-CG 4.48Å; N674-F677 PolarHBondContact O-N 2.89Å; F677-I720 HydrophobicContact CB-CD1 4.16Å; F677-I720 HydrophobicContact CD1-CD1 4.22Å; F677-I720 HydrophobicContact CD2-CD1 3.72Å; F677-I720 HydrophobicContact CE2-CD1 4.09Å; F677-I720 HydrophobicContact CG-CD1 3.76Å; F677-I720 HydrophobicContact CZ-CD1 4.5Å; F677-V754 HydrophobicContact CD1-CG1 4.4Å; F677-V754 HydrophobicContact CE1-CG1 3.47Å; F677-V754 VanDerWaalsContact CE1-CG1 3.47Å; F677-V754 HydrophobicContact CZ-CG1 3.85Å; F677-L757 HydrophobicContact CB-CB 4.16Å; F677-L757 HydrophobicContact CD1-CB 3.79Å; F677-L757 HydrophobicContact CG-CB 4.4Å; F677-V758 HydrophobicContact CD1-CG2 4.48Å; F677-V758 HydrophobicContact CE1-CG2 4.16Å
678	Y	80.7	Confident	82.2	Confident	119 Å²	119	60.3 Å²	60.3	47%	0.467	31%	0.306	S	S	.	.			trans	-92.7	132.1	178.2	-63.5	-86.2	0	0	0	110.4	K680 L757 V758 P760	Y678-K680 PolarHBondContact O-N 3.48Å; Y678-L757 PolarHBondContact N-O 3Å; Y678-L757 WeakPolarHBondContact O-CD2 3.24Å; Y678-V758 VanDerWaalsContact CD2-O 3.32Å; Y678-V758 WeakPolarHBondContact CD2-O 3.39Å; Y678-V758 VanDerWaalsContact CE2-O 3.29Å; Y678-V758 WeakPolarHBondContact CE2-O 3.35Å; Y678-P760 HydrophobicContact CD1-CB 3.84Å; Y678-P760 HydrophobicContact CD2-CB 4.33Å; Y678-P760 HydrophobicContact CE1-CB 3.96Å; Y678-P760 HydrophobicContact CE1-CG 4.38Å; Y678-P760 HydrophobicContact CE2-CB 4.45Å; Y678-P760 HydrophobicContact CE2-CG 4.37Å; Y678-P760 HydrophobicContact CG-CB 4.02Å
679	Y	80.7	Confident	82.4	Confident	37 Å²	37	63.3 Å²	63.3	15%	0.145	31%	0.314	C	S	.	.			trans	-64	125.5	178.3	177.3	-100.3	0	0	0	111.5	E666 E667 F670 H681 V684	E666-Y679 HydrophobicContact CG-CE2 3.77Å; E666-Y679 PolarHBondContact OE1-OH 3.34Å; E667-Y679 HydrophobicContact CB-CD1 3.71Å; E667-Y679 HydrophobicContact CB-CD2 4.41Å; E667-Y679 HydrophobicContact CB-CE1 3.95Å; E667-Y679 HydrophobicContact CB-CG 3.94Å; E667-Y679 HydrophobicContact CG-CD1 3.61Å; E667-Y679 HydrophobicContact CG-CE1 3.35Å; E667-Y679 HydrophobicContact CG-CG 4.29Å; E667-Y679 WeakPolarHBondContact OE1-CE1 3.45Å; F670-Y679 HydrophobicContact CB-CD2 3.79Å; F670-Y679 HydrophobicContact CB-CE2 4.46Å; F670-Y679 AromaticContact CD1-CD2 3.89Å; F670-Y679 HydrophobicContact CD1-CD2 3.89Å; F670-Y679 HydrophobicContact CD1-CG 4.34Å; F670-Y679 HydrophobicContact CD2-CD2 4.45Å; F670-Y679 AromaticContact CG-CD2 3.78Å; F670-Y679 HydrophobicContact CG-CD2 3.78Å; Y679-H681 HydrophobicContact CE1-CB 3.99Å; Y679-H681 PolarHBondContact OH-CD2 3.2Å; Y679-V684 HydrophobicContact CD2-CG2 3.7Å; Y679-V684 HydrophobicContact CE2-CB 4.06Å; Y679-V684 HydrophobicContact CE2-CG1 4.26Å; Y679-V684 HydrophobicContact CE2-CG2 3.72Å
680	K	79.9	Confident	82.5	Confident	35 Å²	35	62.2 Å²	62.2	15%	0.152	31%	0.307	C	S	.	.			trans	-132.2	107.7	168.6	-66.1	-176.4	-176.7	173.3	0	108.6	Y678 H682 V683 V684 Q756 L757 F759 S761	Y678-K680 PolarHBondContact O-N 3.48Å; K680-H682 VanDerWaalsContact C-N 3.34Å; K680-H682 PolarHBondContact O-N 2.89Å; K680-V683 HydrophobicContact CB-CB 4.09Å; K680-V683 HydrophobicContact CB-CG2 3.75Å; K680-V683 HydrophobicContact CD-CG2 4.31Å; K680-V683 PolarHBondContact O-N 2.73Å; K680-V684 WeakPolarHBondContact O-CG2 3.42Å; K680-V684 PolarHBondContact O-N 2.86Å; K680-Q756 VanDerWaalsContact CD-O 3.31Å; K680-Q756 WeakPolarHBondContact CD-O 3Å; K680-Q756 WeakPolarHBondContact CE-O 3.43Å; K680-Q756 PolarHBondContact NZ-O 3.34Å; K680-L757 HydrophobicContact CB-CD2 4.04Å; K680-L757 HydrophobicContact CG-CD2 4.4Å; K680-F759 VanDerWaalsContact CE-O 3.23Å; K680-F759 WeakPolarHBondContact CE-O 3.35Å; K680-F759 PolarHBondContact NZ-O 3.23Å; K680-S761 WeakPolarHBondContact CE-OG 3.41Å
681	H	82.2	Confident	82.5	Confident	107 Å²	107	63.7 Å²	63.7	50%	0.495	31%	0.312	S	S	.	.	H	α-helix	trans	-45.9	-53.6	-175.1	175.1	-100	0	0	0	113.1	Y679 V683 V684 Q685	Y679-H681 HydrophobicContact CE1-CB 3.99Å; Y679-H681 PolarHBondContact OH-CD2 3.2Å; H681-V683 PolarHBondContact O-N 2.83Å; H681-V684 PolarHBondContact O-N 2.68Å; H681-Q685 WeakPolarHBondContact O-CG 3.47Å; H681-Q685 PolarHBondContact O-N 3.3Å
682	H	83.8	Confident	82.6	Confident	107 Å²	107	63.5 Å²	63.5	50%	0.495	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-28.8	-178.3	72.8	-79.3	0	0	0	114.2	K680 K686	K680-H682 VanDerWaalsContact C-N 3.34Å; K680-H682 PolarHBondContact O-N 2.89Å; H682-K686 WeakPolarHBondContact O-CG 3.26Å; H682-K686 PolarHBondContact O-N 2.74Å
683	V	85.3	Confident	82.6	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-81.4	-41.1	177.7	-173.4	0	0	0	0	110.7	K680 H681 Q685 K686 L687 S753 Q756 L757	K680-V683 HydrophobicContact CB-CB 4.09Å; K680-V683 HydrophobicContact CB-CG2 3.75Å; K680-V683 HydrophobicContact CD-CG2 4.31Å; K680-V683 PolarHBondContact O-N 2.73Å; H681-V683 PolarHBondContact O-N 2.83Å; V683-Q685 VanDerWaalsContact C-N 3.29Å; V683-Q685 PolarHBondContact O-N 3.34Å; V683-K686 WeakPolarHBondContact O-CB 3.13Å; V683-K686 PolarHBondContact O-N 2.73Å; V683-K686 VanDerWaalsContact O-N 3.12Å; V683-L687 PolarHBondContact O-N 2.76Å; V683-S753 WeakPolarHBondContact CG1-O 3.17Å; V683-Q756 HydrophobicContact CG1-CB 4.4Å; V683-Q756 HydrophobicContact CG2-CB 4.02Å; V683-L757 HydrophobicContact CB-CD2 3.9Å; V683-L757 HydrophobicContact CB-CG 4.34Å; V683-L757 HydrophobicContact CG1-CD1 3.99Å; V683-L757 HydrophobicContact CG1-CD2 3.87Å; V683-L757 HydrophobicContact CG1-CG 3.75Å
684	V	85.5	Confident	82.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-38.9	176.2	178.8	0	0	0	0	110.7	E666 F670 Y679 K680 H681 K686 L687 K688 W716 Y718 L757	E666-V684 VanDerWaalsContact OE1-CG1 3.27Å; E666-V684 WeakPolarHBondContact OE1-CG1 3.32Å; F670-V684 HydrophobicContact CD2-CG1 4.27Å; F670-V684 HydrophobicContact CD2-CG2 3.75Å; F670-V684 HydrophobicContact CE2-CG2 3.65Å; F670-V684 HydrophobicContact CG-CG2 4.34Å; F670-V684 HydrophobicContact CZ-CG2 4.15Å; Y679-V684 HydrophobicContact CD2-CG2 3.7Å; Y679-V684 HydrophobicContact CE2-CB 4.06Å; Y679-V684 HydrophobicContact CE2-CG1 4.26Å; Y679-V684 HydrophobicContact CE2-CG2 3.72Å; K680-V684 WeakPolarHBondContact O-CG2 3.42Å; K680-V684 PolarHBondContact O-N 2.86Å; H681-V684 PolarHBondContact O-N 2.68Å; V684-K686 PolarHBondContact O-N 3.21Å; V684-L687 PolarHBondContact O-N 2.81Å; V684-K688 WeakPolarHBondContact O-CB 3.35Å; V684-K688 PolarHBondContact O-N 3.07Å; V684-W716 HydrophobicContact CG1-CZ3 3.92Å; V684-Y718 HydrophobicContact CG1-CD1 3.65Å; V684-Y718 HydrophobicContact CG1-CE1 3.7Å; V684-L757 HydrophobicContact CG2-CD2 4.45Å
685	Q	85.2	Confident	82.1	Confident	65 Å²	65	59.9 Å²	59.9	30%	0.304	28%	0.281	S	S	.	.	H	α-helix	trans	-63.5	-38.9	172.9	-65.6	-56.8	-36.6	0	0	112.6	E666 H681 V683 K688 Q689	E666-Q685 PolarHBondContact OE1-NE2 3.43Å; E666-Q685 PolarHBondContact OE2-NE2 3.01Å; H681-Q685 WeakPolarHBondContact O-CG 3.47Å; H681-Q685 PolarHBondContact O-N 3.3Å; V683-Q685 VanDerWaalsContact C-N 3.29Å; V683-Q685 PolarHBondContact O-N 3.34Å; Q685-K688 PolarHBondContact O-N 3.39Å; Q685-Q689 PolarHBondContact O-N 3.41Å
686	K	85	Confident	81.9	Confident	99 Å²	99	58 Å²	58	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-43.2	172.3	-73	174.3	-177	178.7	0	111.8	H682 V683 V684 K688 Q689 F690	H682-K686 WeakPolarHBondContact O-CG 3.26Å; H682-K686 PolarHBondContact O-N 2.74Å; V683-K686 WeakPolarHBondContact O-CB 3.13Å; V683-K686 PolarHBondContact O-N 2.73Å; V683-K686 VanDerWaalsContact O-N 3.12Å; V684-K686 PolarHBondContact O-N 3.21Å; K686-K688 VanDerWaalsContact C-N 3.35Å; K686-Q689 WeakPolarHBondContact O-CB 3.27Å; K686-Q689 PolarHBondContact O-N 3.25Å; K686-F690 WeakPolarHBondContact O-CD2 3.14Å; K686-F690 PolarHBondContact O-N 2.82Å
687	L	85.1	Confident	81.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-36	177.4	-69.5	175.9	0	0	0	112.4	V683 V684 Q689 F690 Y691 W716 I720 L723 F750 L757	V683-L687 PolarHBondContact O-N 2.76Å; V684-L687 PolarHBondContact O-N 2.81Å; L687-Q689 VanDerWaalsContact C-N 3.34Å; L687-F690 WeakPolarHBondContact O-CB 3.32Å; L687-F690 PolarHBondContact O-N 2.82Å; L687-Y691 PolarHBondContact O-N 3.37Å; L687-W716 HydrophobicContact CB-CH2 3.4Å; L687-W716 VanDerWaalsContact CB-CH2 3.4Å; L687-W716 HydrophobicContact CB-CZ2 4.21Å; L687-W716 HydrophobicContact CB-CZ3 3.79Å; L687-W716 HydrophobicContact CD1-CH2 4.09Å; L687-W716 HydrophobicContact CG-CH2 4.4Å; L687-I720 HydrophobicContact CD1-CG1 4.43Å; L687-L723 HydrophobicContact CB-CD2 4.16Å; L687-L723 HydrophobicContact CD2-CD2 4.02Å; L687-F750 HydrophobicContact CD2-CD2 3.84Å; L687-F750 HydrophobicContact CD2-CE2 3.95Å; L687-L757 HydrophobicContact CD1-CD1 3.61Å
688	K	84.9	Confident	80.8	Confident	64 Å²	64	56.9 Å²	56.9	28%	0.278	25%	0.25	S	C	.	.	H	α-helix	trans	-62.6	-42.1	173.2	-169.5	175	-179	177.4	0	111.2	V684 Q685 K686 Y691 K692 W716	V684-K688 WeakPolarHBondContact O-CB 3.35Å; V684-K688 PolarHBondContact O-N 3.07Å; Q685-K688 PolarHBondContact O-N 3.39Å; K686-K688 VanDerWaalsContact C-N 3.35Å; K688-Y691 PolarHBondContact O-N 3Å; K688-K692 PolarHBondContact O-N 3.24Å; K688-W716 HydrophobicContact CB-CE3 3.77Å; K688-W716 HydrophobicContact CB-CZ3 4.06Å; K688-W716 HydrophobicContact CG-CE3 4.14Å
689	Q	83	Confident	80.2	Confident	98 Å²	98	51.8 Å²	51.8	46%	0.458	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-43.2	173	-176.6	60	28.8	0	0	111.8	Q685 K686 L687 Y691 K692 E693	Q685-Q689 PolarHBondContact O-N 3.41Å; K686-Q689 WeakPolarHBondContact O-CB 3.27Å; K686-Q689 PolarHBondContact O-N 3.25Å; L687-Q689 VanDerWaalsContact C-N 3.34Å; Q689-Y691 PolarHBondContact O-N 3.07Å; Q689-K692 WeakPolarHBondContact O-CB 3.25Å; Q689-K692 PolarHBondContact O-N 2.88Å; Q689-E693 PolarHBondContact NE2-OE1 2.94Å; Q689-E693 WeakPolarHBondContact O-CG 3.3Å; Q689-E693 PolarHBondContact O-N 3.43Å
690	F	81.7	Confident	79.5	Confident	32 Å²	32	57.2 Å²	57.2	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-45.1	173.8	-95.5	-71	0	0	0	112.8	K686 L687 K692 E693 I694 K749	K686-F690 WeakPolarHBondContact O-CD2 3.14Å; K686-F690 PolarHBondContact O-N 2.82Å; L687-F690 WeakPolarHBondContact O-CB 3.32Å; L687-F690 PolarHBondContact O-N 2.82Å; F690-K692 VanDerWaalsContact C-N 3.3Å; F690-K692 PolarHBondContact O-N 2.95Å; F690-E693 PolarHBondContact O-N 2.86Å; F690-I694 VanDerWaalsContact O-CG1 3.32Å; F690-I694 WeakPolarHBondContact O-CG1 3.26Å; F690-I694 PolarHBondContact O-N 2.69Å; F690-I694 VanDerWaalsContact O-N 3.08Å; F690-K749 HydrophobicContact CE1-CB 4.37Å; F690-K749 HydrophobicContact CE2-CB 4.12Å; F690-K749 HydrophobicContact CZ-CB 3.47Å; F690-K749 VanDerWaalsContact CZ-CB 3.47Å; F690-K749 HydrophobicContact CZ-CD 4.11Å; F690-K749 HydrophobicContact CZ-CG 4.41Å
691	Y	83.1	Confident	78.7	Confident	31 Å²	31	63.6 Å²	63.6	12%	0.122	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-43.5	176.8	176.1	-96.5	0	0	0	111.4	L687 K688 Q689 I694 K695 T713 W716 L723 M726	L687-Y691 PolarHBondContact O-N 3.37Å; K688-Y691 PolarHBondContact O-N 3Å; Q689-Y691 PolarHBondContact O-N 3.07Å; Y691-I694 PolarHBondContact O-N 2.71Å; Y691-K695 HydrophobicContact CE1-CD 3.72Å; Y691-K695 HydrophobicContact CE2-CD 4.48Å; Y691-K695 VanDerWaalsContact O-CB 3.32Å; Y691-K695 WeakPolarHBondContact O-CB 3.07Å; Y691-K695 PolarHBondContact O-N 3.27Å; Y691-K695 PolarHBondContact OH-NZ 2.91Å; Y691-T713 WeakPolarHBondContact CE1-O 3.37Å; Y691-W716 HydrophobicContact CD1-CB 3.57Å; Y691-W716 HydrophobicContact CD1-CG 4Å; Y691-W716 HydrophobicContact CD2-CB 4.44Å; Y691-W716 AromaticContact CD2-CD1 3.48Å; Y691-W716 VanDerWaalsContact CD2-CD1 3.48Å; Y691-W716 HydrophobicContact CD2-CG 4.06Å; Y691-W716 HydrophobicContact CE1-CB 3.74Å; Y691-W716 HydrophobicContact CE1-CG 4.36Å; Y691-W716 AromaticContact CE2-CD1 3.76Å; Y691-W716 HydrophobicContact CE2-CG 4.47Å; Y691-W716 HydrophobicContact CG-CB 3.91Å; Y691-W716 AromaticContact CG-CD1 3.71Å; Y691-W716 AromaticContact CG-CG 3.8Å; Y691-W716 HydrophobicContact CG-CG 3.8Å; Y691-L723 HydrophobicContact CD2-CD1 4.02Å; Y691-L723 HydrophobicContact CG-CD1 4.46Å; Y691-M726 HydrophobicContact CD2-CE 3.29Å; Y691-M726 HydrophobicContact CE2-CE 3.41Å; Y691-M726 VanDerWaalsContact CE2-CE 3.41Å; Y691-M726 HydrophobicContact CE2-SD 4.12Å; Y691-M726 HydrophobicContact CG-CE 4.21Å
692	K	81.5	Confident	77.5	Confident	69 Å²	69	63.6 Å²	63.6	30%	0.3	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-48.1	177.2	-173.6	172.3	-178.1	165.4	0	111.7	K688 Q689 F690 I694 K695 E696	K688-K692 PolarHBondContact O-N 3.24Å; Q689-K692 WeakPolarHBondContact O-CB 3.25Å; Q689-K692 PolarHBondContact O-N 2.88Å; F690-K692 VanDerWaalsContact C-N 3.3Å; F690-K692 PolarHBondContact O-N 2.95Å; K692-I694 VanDerWaalsContact C-N 3.34Å; K692-I694 PolarHBondContact O-N 3.29Å; K692-K695 PolarHBondContact O-N 2.96Å; K692-E696 VanDerWaalsContact CE-OE1 3.24Å; K692-E696 WeakPolarHBondContact CE-OE1 3.31Å; K692-E696 HydrophobicContact CG-CG 4.48Å; K692-E696 WeakPolarHBondContact CG-OE1 3.21Å; K692-E696 WeakPolarHBondContact O-CB 3.14Å; K692-E696 VanDerWaalsContact O-CG 3.31Å; K692-E696 WeakPolarHBondContact O-CG 3.23Å; K692-E696 PolarHBondContact O-N 3.34Å
693	E	80.1	Confident	76.2	Confident	71 Å²	71	61.1 Å²	61.1	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-38.3	179.1	-71.8	177.4	-161.6	0	0	113.3	Q689 F690 R697	Q689-E693 PolarHBondContact NE2-OE1 2.94Å; Q689-E693 WeakPolarHBondContact O-CG 3.3Å; Q689-E693 PolarHBondContact O-N 3.43Å; F690-E693 PolarHBondContact O-N 2.86Å; E693-R697 WeakPolarHBondContact O-CG 3.46Å; E693-R697 PolarHBondContact O-N 2.92Å
694	I	76.8	Confident	74.8	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.082	32%	0.315	C	S	.	.	H	α-helix	trans	-71.3	-43.8	178.1	-64	162.6	0	0	0	110.3	F690 Y691 K692 E696 R697 E698 L723 M726 I727	F690-I694 VanDerWaalsContact O-CG1 3.32Å; F690-I694 WeakPolarHBondContact O-CG1 3.26Å; F690-I694 PolarHBondContact O-N 2.69Å; F690-I694 VanDerWaalsContact O-N 3.08Å; Y691-I694 PolarHBondContact O-N 2.71Å; K692-I694 VanDerWaalsContact C-N 3.34Å; K692-I694 PolarHBondContact O-N 3.29Å; I694-E696 PolarHBondContact O-N 3.42Å; I694-R697 WeakPolarHBondContact O-CB 3.28Å; I694-R697 PolarHBondContact O-N 2.84Å; I694-R697 VanDerWaalsContact O-N 3.11Å; I694-E698 PolarHBondContact O-N 3.47Å; I694-L723 HydrophobicContact CD1-CD1 3.98Å; I694-M726 HydrophobicContact CB-CE 3.99Å; I694-M726 HydrophobicContact CG2-CE 3.74Å; I694-M726 HydrophobicContact CG2-CG 3.87Å; I694-M726 HydrophobicContact CG2-SD 4.48Å; I694-I727 HydrophobicContact CD1-CD1 4.29Å; I694-I727 HydrophobicContact CD1-CG1 3.48Å; I694-I727 VanDerWaalsContact CD1-CG1 3.48Å
695	K	76.6	Confident	73.4	Confident	30 Å²	30	71.5 Å²	71.5	13%	0.13	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-38.5	-179.2	-162.1	161.3	176.9	178.2	0	111.4	Y691 K692 R697 E698 V699 N712 T713	Y691-K695 HydrophobicContact CE1-CD 3.72Å; Y691-K695 HydrophobicContact CE2-CD 4.48Å; Y691-K695 VanDerWaalsContact O-CB 3.32Å; Y691-K695 WeakPolarHBondContact O-CB 3.07Å; Y691-K695 PolarHBondContact O-N 3.27Å; Y691-K695 PolarHBondContact OH-NZ 2.91Å; K692-K695 PolarHBondContact O-N 2.96Å; K695-R697 VanDerWaalsContact C-N 3.27Å; K695-R697 PolarHBondContact O-N 3.49Å; K695-E698 WeakPolarHBondContact O-CB 3.45Å; K695-E698 PolarHBondContact O-N 2.93Å; K695-V699 WeakPolarHBondContact O-CG2 3.5Å; K695-V699 PolarHBondContact O-N 3.01Å; K695-N712 PolarHBondContact NZ-O 3.29Å; K695-T713 HydrophobicContact CD-CG2 4.41Å; K695-T713 HydrophobicContact CG-CG2 4.24Å
696	E	73.9	Confident	71.8	Confident	65 Å²	65	76 Å²	76	30%	0.304	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-33.8	171.5	-76.7	177.3	-169.4	0	0	112.9	K692 I694 K700	K692-E696 VanDerWaalsContact CE-OE1 3.24Å; K692-E696 WeakPolarHBondContact CE-OE1 3.31Å; K692-E696 HydrophobicContact CG-CG 4.48Å; K692-E696 WeakPolarHBondContact CG-OE1 3.21Å; K692-E696 WeakPolarHBondContact O-CB 3.14Å; K692-E696 VanDerWaalsContact O-CG 3.31Å; K692-E696 WeakPolarHBondContact O-CG 3.23Å; K692-E696 PolarHBondContact O-N 3.34Å; I694-E696 PolarHBondContact O-N 3.42Å; E696-K700 WeakPolarHBondContact O-CG 3.2Å; E696-K700 PolarHBondContact O-N 2.91Å; E696-K700 VanDerWaalsContact O-N 3.15Å
697	R	71.6	Confident	70.4	Confident	98 Å²	98	79.3 Å²	79.3	37%	0.37	38%	0.378	S	S	.	.	H	α-helix	trans	-71.9	-39.8	173.5	-68.3	173.9	-148.2	-176.7	0.3	112.2	E693 I694 K695 V699 K700 F701 E746	E693-R697 WeakPolarHBondContact O-CG 3.46Å; E693-R697 PolarHBondContact O-N 2.92Å; I694-R697 WeakPolarHBondContact O-CB 3.28Å; I694-R697 PolarHBondContact O-N 2.84Å; I694-R697 VanDerWaalsContact O-N 3.11Å; K695-R697 VanDerWaalsContact C-N 3.27Å; K695-R697 PolarHBondContact O-N 3.49Å; R697-V699 VanDerWaalsContact C-N 3.33Å; R697-K700 PolarHBondContact O-N 3.46Å; R697-F701 PolarHBondContact O-N 2.9Å; R697-E746 IonicContact CZ-OE1 2.71Å; R697-E746 IonicContact CZ-OE2 3.56Å; R697-E746 IonicContact NH1-OE1 2.95Å; R697-E746 PolarHBondContact NH1-OE1 3.1Å; R697-E746 IonicContact NH1-OE2 3.62Å; R697-E746 PolarHBondContact NH1-OE2 3.36Å; R697-E746 IonicContact NH2-OE1 3.67Å; R697-E746 PolarHBondContact NH2-OE1 3.39Å; R697-E746 IonicContact NH2-OE2 3.31Å
698	E	70.4	Confident	68.9	Low	51 Å²	51	84 Å²	84	24%	0.238	41%	0.407	C	S	.	.	H	α-helix	trans	-60.8	-42.3	175	177.7	166.8	-150.9	0	0	110.9	I694 K695 F701 L702 Y730	I694-E698 PolarHBondContact O-N 3.47Å; K695-E698 WeakPolarHBondContact O-CB 3.45Å; K695-E698 PolarHBondContact O-N 2.93Å; E698-F701 PolarHBondContact O-N 3.26Å; E698-F701 VanDerWaalsContact O-N 3.16Å; E698-L702 PolarHBondContact O-N 3.02Å; E698-Y730 HydrophobicContact CB-CE2 4.44Å; E698-Y730 VanDerWaalsContact CD-OH 3.28Å; E698-Y730 WeakPolarHBondContact CG-OH 3.09Å; E698-Y730 PolarHBondContact OE1-OH 3.4Å; E698-Y730 VanDerWaalsContact OE1-OH 3.09Å
699	V	67.8	Low	67.2	Low	12 Å²	12	83.4 Å²	83.4	7%	0.073	41%	0.406	C	S	.	.	H	α-helix	trans	-61.1	-46.2	173.7	-176.4	0	0	0	0	111.6	K695 R697 F701 L702 G703 Y706 I709	K695-V699 WeakPolarHBondContact O-CG2 3.5Å; K695-V699 PolarHBondContact O-N 3.01Å; R697-V699 VanDerWaalsContact C-N 3.33Å; V699-F701 PolarHBondContact O-N 2.89Å; V699-L702 PolarHBondContact O-N 2.58Å; V699-G703 PolarHBondContact O-N 3.08Å; V699-Y706 HydrophobicContact CG1-CD1 4.4Å; V699-I709 HydrophobicContact CG1-CB 4.45Å; V699-I709 HydrophobicContact CG2-CB 4.04Å; V699-I709 HydrophobicContact CG2-CG2 3.37Å
700	K	66.8	Low	65.8	Low	151 Å²	151	83.5 Å²	83.5	66%	0.657	41%	0.409	S	S	*	.	H	α-helix	trans	-60.9	-29.2	176.8	-74.3	173.7	-176.8	174.3	0	112.8	E696 R697	E696-K700 WeakPolarHBondContact O-CG 3.2Å; E696-K700 PolarHBondContact O-N 2.91Å; E696-K700 VanDerWaalsContact O-N 3.15Å; R697-K700 PolarHBondContact O-N 3.46Å
701	F	62.2	Low	64.5	Low	169 Å²	169	86.7 Å²	86.7	74%	0.741	44%	0.435	S	S	*	.	H	α-helix	trans	-81.2	-36.2	179.5	-133.2	-84.4	0	0	0	112.8	R697 E698 V699	R697-F701 PolarHBondContact O-N 2.9Å; E698-F701 PolarHBondContact O-N 3.26Å; E698-F701 VanDerWaalsContact O-N 3.16Å; V699-F701 PolarHBondContact O-N 2.89Å
702	L	57.1	Low	63.2	Low	108 Å²	108	89.4 Å²	89.4	57%	0.565	45%	0.452	S	S	*	.	H	α-helix	trans	-85.5	-3.5	-172.6	-143.3	78.5	0	0	0	114.4	E698 V699 N704	E698-L702 PolarHBondContact O-N 3.02Å; V699-L702 PolarHBondContact O-N 2.58Å; L702-N704 PolarHBondContact O-N 3.37Å; L702-N704 PolarHBondContact O-ND2 3.48Å; L702-N704 PolarHBondContact O-OD1 3.1Å
703	G	57.5	Low	61.9	Low	55 Å²	55	86.4 Å²	86.4	57%	0.567	44%	0.439	S	S	*	.			trans	62.2	1.8	169.1	0	0	0	0	0	116.7	V699	V699-G703 PolarHBondContact O-N 3.08Å
704	N	55	Low	61	Low	96 Å²	96	87.9 Å²	87.9	51%	0.513	45%	0.449	S	S	.	.	S	Bend	trans	-107.4	134.3	-170.9	-65.2	-28.9	0	0	0	110.8	L702 Y706 I709	L702-N704 PolarHBondContact O-N 3.37Å; L702-N704 PolarHBondContact O-ND2 3.48Å; L702-N704 PolarHBondContact O-OD1 3.1Å; N704-Y706 PolarHBondContact O-N 2.89Å; N704-I709 WeakPolarHBondContact O-CD1 3.35Å
705	D	55.6	Low	60.7	Low	122 Å²	122	91.8 Å²	91.8	65%	0.652	47%	0.47	S	S	*	.			trans	28	83	164.1	-59.6	-16.4	0	0	0	116.1	E707	D705-E707 PolarHBondContact O-N 2.82Å; D705-E707 VanDerWaalsContact O-N 3.08Å
706	Y	52.8	Low	60.6	Low	159 Å²	159	90.9 Å²	90.9	62%	0.624	47%	0.466	S	S	*	.	H	α-helix	trans	-50.9	-32.9	177.8	-71.3	-84.5	0	0	0	113.7	V699 N704 L710	V699-Y706 HydrophobicContact CG1-CD1 4.4Å; N704-Y706 PolarHBondContact O-N 2.89Å; Y706-L710 VanDerWaalsContact O-CB 3.26Å; Y706-L710 WeakPolarHBondContact O-CB 3.4Å; Y706-L710 PolarHBondContact O-N 2.8Å
707	E	54.1	Low	60.8	Low	169 Å²	169	95.6 Å²	95.6	79%	0.79	49%	0.486	S	S	*	.	H	α-helix	trans	-78.7	-44.6	-167	-145.6	173.3	-158	0	0	113.1	D705 S711	D705-E707 PolarHBondContact O-N 2.82Å; D705-E707 VanDerWaalsContact O-N 3.08Å; E707-S711 PolarHBondContact O-OG 3.17Å
708	T	53.7	Low	61.2	Low	99 Å²	99	92.6 Å²	92.6	61%	0.607	48%	0.475	S	S	*	.	H	α-helix	trans	-76	-31.6	-177.6	11.3	0	0	0	0	112.8
709	I	50.5	Low	61.8	Low	51 Å²	51	90.9 Å²	90.9	26%	0.262	47%	0.469	S	S	.	.	H	α-helix	trans	-80.1	-32.6	-178.5	-48.9	176.5	0	0	0	110.8	V699 N704 S711 N712 T713	V699-I709 HydrophobicContact CG1-CB 4.45Å; V699-I709 HydrophobicContact CG2-CB 4.04Å; V699-I709 HydrophobicContact CG2-CG2 3.37Å; N704-I709 WeakPolarHBondContact O-CD1 3.35Å; I709-S711 PolarHBondContact O-N 3.27Å; I709-N712 PolarHBondContact O-N 2.81Å; I709-N712 VanDerWaalsContact O-N 3.1Å; I709-T713 PolarHBondContact O-N 2.63Å
710	L	53.1	Low	62.4	Low	100 Å²	100	90.3 Å²	90.3	52%	0.524	47%	0.465	S	S	.	.	H	α-helix	trans	-64.2	-40.9	178.8	-159.7	75.7	0	0	0	111.9	Y706 N712 T713	Y706-L710 VanDerWaalsContact O-CB 3.26Å; Y706-L710 WeakPolarHBondContact O-CB 3.4Å; Y706-L710 PolarHBondContact O-N 2.8Å; L710-N712 PolarHBondContact O-N 3.09Å; L710-N712 VanDerWaalsContact O-N 3.17Å; L710-T713 HydrophobicContact CD1-CG2 4.39Å; L710-T713 WeakPolarHBondContact O-CB 3.48Å; L710-T713 PolarHBondContact O-N 3.21Å; L710-T713 PolarHBondContact O-OG1 3.3Å
711	S	54.5	Low	63.2	Low	98 Å²	98	86.3 Å²	86.3	69%	0.685	45%	0.453	S	S	*	.	H	α-helix	trans	-59.7	-28.7	174.9	-41.1	0	0	0	0	112.6	E707 I709 T713	E707-S711 PolarHBondContact O-OG 3.17Å; I709-S711 PolarHBondContact O-N 3.27Å; S711-T713 VanDerWaalsContact C-N 3.34Å
712	N	55.1	Low	64.1	Low	88 Å²	88	83 Å²	83	47%	0.471	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.9	-179	-127.7	-10.3	0	0	0	112.9	K695 I709 L710 D714	K695-N712 PolarHBondContact NZ-O 3.29Å; I709-N712 PolarHBondContact O-N 2.81Å; I709-N712 VanDerWaalsContact O-N 3.1Å; L710-N712 PolarHBondContact O-N 3.09Å; L710-N712 VanDerWaalsContact O-N 3.17Å; N712-D714 VanDerWaalsContact C-N 3.34Å
713	T	55.2	Low	65.2	Low	6 Å²	6	78 Å²	78	4%	0.037	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-30.6	178	59.1	0	0	0	0	112.9	Y691 K695 I709 L710 S711 N715	Y691-T713 WeakPolarHBondContact CE1-O 3.37Å; K695-T713 HydrophobicContact CD-CG2 4.41Å; K695-T713 HydrophobicContact CG-CG2 4.24Å; I709-T713 PolarHBondContact O-N 2.63Å; L710-T713 HydrophobicContact CD1-CG2 4.39Å; L710-T713 WeakPolarHBondContact O-CB 3.48Å; L710-T713 PolarHBondContact O-N 3.21Å; L710-T713 PolarHBondContact O-OG1 3.3Å; S711-T713 VanDerWaalsContact C-N 3.34Å; T713-N715 PolarHBondContact O-N 3.35Å
714	D	61.2	Low	66.4	Low	102 Å²	102	79.7 Å²	79.7	55%	0.545	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.9	-179.1	-77.2	-26.6	0	0	0	113.9	N712 W716	N712-D714 VanDerWaalsContact C-N 3.34Å; D714-W716 PolarHBondContact O-N 2.82Å; D714-W716 VanDerWaalsContact O-N 3.17Å
715	N	70.2	Confident	67.6	Low	98 Å²	98	80.6 Å²	80.6	52%	0.524	40%	0.403	S	S	.	.			trans	-94.2	58.8	-170.9	-146.7	7.1	0	0	0	112.6	T713 K717	T713-N715 PolarHBondContact O-N 3.35Å; N715-K717 PolarHBondContact O-N 3.43Å
716	W	75.5	Confident	68.6	Low	12 Å²	12	75.8 Å²	75.8	5%	0.045	38%	0.376	C	S	.	.			trans	-78.6	116.8	170.4	-177.4	43.6	0	0	0	110	V684 L687 K688 Y691 D714 Y718 S719 L723	V684-W716 HydrophobicContact CG1-CZ3 3.92Å; L687-W716 HydrophobicContact CB-CH2 3.4Å; L687-W716 VanDerWaalsContact CB-CH2 3.4Å; L687-W716 HydrophobicContact CB-CZ2 4.21Å; L687-W716 HydrophobicContact CB-CZ3 3.79Å; L687-W716 HydrophobicContact CD1-CH2 4.09Å; L687-W716 HydrophobicContact CG-CH2 4.4Å; K688-W716 HydrophobicContact CB-CE3 3.77Å; K688-W716 HydrophobicContact CB-CZ3 4.06Å; K688-W716 HydrophobicContact CG-CE3 4.14Å; Y691-W716 HydrophobicContact CD1-CB 3.57Å; Y691-W716 HydrophobicContact CD1-CG 4Å; Y691-W716 HydrophobicContact CD2-CB 4.44Å; Y691-W716 AromaticContact CD2-CD1 3.48Å; Y691-W716 VanDerWaalsContact CD2-CD1 3.48Å; Y691-W716 HydrophobicContact CD2-CG 4.06Å; Y691-W716 HydrophobicContact CE1-CB 3.74Å; Y691-W716 HydrophobicContact CE1-CG 4.36Å; Y691-W716 AromaticContact CE2-CD1 3.76Å; Y691-W716 HydrophobicContact CE2-CG 4.47Å; Y691-W716 HydrophobicContact CG-CB 3.91Å; Y691-W716 AromaticContact CG-CD1 3.71Å; Y691-W716 AromaticContact CG-CG 3.8Å; Y691-W716 HydrophobicContact CG-CG 3.8Å; D714-W716 PolarHBondContact O-N 2.82Å; D714-W716 VanDerWaalsContact O-N 3.17Å; W716-Y718 AromaticContact CE3-CD1 4Å; W716-Y718 HydrophobicContact CE3-CD1 4Å; W716-Y718 HydrophobicContact CE3-CE1 4.43Å; W716-Y718 AromaticContact CZ3-CD1 3.94Å; W716-Y718 HydrophobicContact CZ3-CD1 3.94Å; W716-Y718 PolarHBondContact O-N 2.91Å; W716-S719 PolarHBondContact NE1-O 3.06Å; W716-L723 HydrophobicContact CZ2-CD2 3.92Å
717	K	77.3	Confident	69.7	Low	164 Å²	164	69.4 Å²	69.4	71%	0.713	35%	0.353	S	S	*	.			trans	-74.8	26.7	177.8	-61.8	-172.9	177	-175.2	0	113.8	N715 S719	N715-K717 PolarHBondContact O-N 3.43Å; K717-S719 PolarHBondContact O-N 3.16Å
718	Y	80.3	Confident	70.7	Confident	34 Å²	34	67.6 Å²	67.6	13%	0.133	34%	0.34	C	S	.	.			trans	56.3	8.2	179.2	-58.8	-79.3	0	0	0	116.8	E666 I669 F670 N674 V684 W716 I720	E666-Y718 HydrophobicContact CG-CE1 3.64Å; E666-Y718 WeakPolarHBondContact CG-OH 3.35Å; I669-Y718 HydrophobicContact CB-CD2 4.49Å; I669-Y718 HydrophobicContact CG2-CD2 3.81Å; I669-Y718 HydrophobicContact CG2-CE2 4.41Å; F670-Y718 HydrophobicContact CD2-CD1 4.43Å; N674-Y718 PolarHBondContact ND2-O 3.3Å; V684-Y718 HydrophobicContact CG1-CD1 3.65Å; V684-Y718 HydrophobicContact CG1-CE1 3.7Å; W716-Y718 AromaticContact CE3-CD1 4Å; W716-Y718 HydrophobicContact CE3-CD1 4Å; W716-Y718 HydrophobicContact CE3-CE1 4.43Å; W716-Y718 AromaticContact CZ3-CD1 3.94Å; W716-Y718 HydrophobicContact CZ3-CD1 3.94Å; W716-Y718 PolarHBondContact O-N 2.91Å; Y718-I720 PolarHBondContact O-N 3.12Å
719	S	82.8	Confident	71.5	Confident	16 Å²	16	69.6 Å²	69.6	11%	0.112	34%	0.34	C	S	.	.			trans	-77.2	114.9	-179.3	175.6	0	0	0	0	111.8	W716 K717 T721 E722 L723	W716-S719 PolarHBondContact NE1-O 3.06Å; K717-S719 PolarHBondContact O-N 3.16Å; S719-T721 VanDerWaalsContact C-N 3.34Å; S719-T721 PolarHBondContact OG-OG1 3.4Å; S719-E722 WeakPolarHBondContact OG-CG 3.05Å; S719-E722 PolarHBondContact OG-N 2.68Å; S719-L723 WeakPolarHBondContact O-CB 3.5Å; S719-L723 PolarHBondContact O-N 3.16Å; S719-L723 VanDerWaalsContact O-N 3.16Å
720	I	80.5	Confident	72.3	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-70.2	-34.3	175.3	-62.2	169.3	0	0	0	110.6	F670 N674 F677 L687 Y718 R724 F750 V754 L757	F670-I720 HydrophobicContact CE2-CD1 4.02Å; F670-I720 HydrophobicContact CE2-CG1 4.38Å; F670-I720 HydrophobicContact CZ-CD1 3.83Å; N674-I720 HydrophobicContact CB-CD1 4.22Å; N674-I720 WeakPolarHBondContact OD1-CB 3.3Å; N674-I720 WeakPolarHBondContact OD1-CG1 3.36Å; N674-I720 PolarHBondContact OD1-N 3.18Å; F677-I720 HydrophobicContact CB-CD1 4.16Å; F677-I720 HydrophobicContact CD1-CD1 4.22Å; F677-I720 HydrophobicContact CD2-CD1 3.72Å; F677-I720 HydrophobicContact CE2-CD1 4.09Å; F677-I720 HydrophobicContact CG-CD1 3.76Å; F677-I720 HydrophobicContact CZ-CD1 4.5Å; L687-I720 HydrophobicContact CD1-CG1 4.43Å; Y718-I720 PolarHBondContact O-N 3.12Å; I720-R724 VanDerWaalsContact O-CB 3.3Å; I720-R724 WeakPolarHBondContact O-CB 3.49Å; I720-R724 PolarHBondContact O-N 2.98Å; I720-F750 HydrophobicContact CG2-CZ 4.03Å; I720-V754 HydrophobicContact CG2-CG2 3.98Å; I720-L757 HydrophobicContact CD1-CD1 3.88Å
721	T	82.6	Confident	72.9	Confident	67 Å²	67	70.3 Å²	70.3	41%	0.411	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-42	178.9	50.4	0	0	0	0	112.1	S719 R724 K725	S719-T721 VanDerWaalsContact C-N 3.34Å; S719-T721 PolarHBondContact OG-OG1 3.4Å; T721-R724 PolarHBondContact O-N 3.37Å; T721-K725 WeakPolarHBondContact O-CG 3.43Å; T721-K725 PolarHBondContact O-N 2.81Å
722	E	81.1	Confident	73.2	Confident	100 Å²	100	67.3 Å²	67.3	47%	0.467	33%	0.33	S	S	.	.	H	α-helix	trans	-71.7	-40.2	177	-69.3	-55.2	124	0	0	111.8	S719 R724 K725 M726	S719-E722 WeakPolarHBondContact OG-CG 3.05Å; S719-E722 PolarHBondContact OG-N 2.68Å; E722-R724 VanDerWaalsContact C-N 3.29Å; E722-R724 PolarHBondContact O-N 3.15Å; E722-K725 PolarHBondContact O-N 3.17Å; E722-K725 IonicContact OE1-NZ 2.75Å; E722-K725 PolarHBondContact OE1-NZ 2.94Å; E722-M726 WeakPolarHBondContact O-CB 3.45Å; E722-M726 PolarHBondContact O-N 3.06Å
723	L	81.1	Confident	73.7	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-45.3	173.2	-179	58.1	0	0	0	110.8	L687 Y691 I694 W716 S719 K725 M726 I727 F750	L687-L723 HydrophobicContact CB-CD2 4.16Å; L687-L723 HydrophobicContact CD2-CD2 4.02Å; Y691-L723 HydrophobicContact CD2-CD1 4.02Å; Y691-L723 HydrophobicContact CG-CD1 4.46Å; I694-L723 HydrophobicContact CD1-CD1 3.98Å; W716-L723 HydrophobicContact CZ2-CD2 3.92Å; S719-L723 WeakPolarHBondContact O-CB 3.5Å; S719-L723 PolarHBondContact O-N 3.16Å; S719-L723 VanDerWaalsContact O-N 3.16Å; L723-K725 PolarHBondContact O-N 2.89Å; L723-M726 HydrophobicContact CD1-CE 4.43Å; L723-M726 WeakPolarHBondContact O-CB 3.34Å; L723-M726 PolarHBondContact O-N 3.27Å; L723-I727 WeakPolarHBondContact O-CG1 3.38Å; L723-I727 PolarHBondContact O-N 2.97Å; L723-I727 VanDerWaalsContact O-N 3.09Å; L723-F750 HydrophobicContact CB-CE2 4.49Å; L723-F750 HydrophobicContact CD2-CD2 4.26Å; L723-F750 HydrophobicContact CD2-CE2 3.75Å; L723-F750 HydrophobicContact CG-CD2 4.45Å; L723-F750 HydrophobicContact CG-CE2 3.87Å
724	R	82	Confident	73.8	Confident	92 Å²	92	74 Å²	74	35%	0.347	36%	0.362	S	S	.	.	H	α-helix	trans	-58.4	-48.2	175.4	-170	-167.4	-35.1	-175.6	6.5	112.2	I720 T721 E722 M726 I727 Y728 F750	I720-R724 VanDerWaalsContact O-CB 3.3Å; I720-R724 WeakPolarHBondContact O-CB 3.49Å; I720-R724 PolarHBondContact O-N 2.98Å; T721-R724 PolarHBondContact O-N 3.37Å; E722-R724 VanDerWaalsContact C-N 3.29Å; E722-R724 PolarHBondContact O-N 3.15Å; R724-M726 VanDerWaalsContact C-N 3.26Å; R724-M726 PolarHBondContact O-N 3.27Å; R724-I727 PolarHBondContact O-N 3.45Å; R724-Y728 HydrophobicContact CG-CD2 4.09Å; R724-Y728 HydrophobicContact CG-CE2 3.67Å; R724-Y728 WeakPolarHBondContact O-CD2 3.45Å; R724-Y728 PolarHBondContact O-N 3.37Å; R724-F750 HydrophobicContact CB-CE1 4.17Å; R724-F750 HydrophobicContact CB-CZ 3.97Å; R724-F750 HydrophobicContact CG-CE1 4.09Å; R724-F750 HydrophobicContact CG-CZ 4.4Å
725	K	81	Confident	73.9	Confident	115 Å²	115	74.8 Å²	74.8	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-59.3	-38.8	176.6	-72.3	174.5	-171.7	168.8	0	111.6	T721 E722 L723 I727 Y728 K729	T721-K725 WeakPolarHBondContact O-CG 3.43Å; T721-K725 PolarHBondContact O-N 2.81Å; E722-K725 PolarHBondContact O-N 3.17Å; E722-K725 IonicContact OE1-NZ 2.75Å; E722-K725 PolarHBondContact OE1-NZ 2.94Å; L723-K725 PolarHBondContact O-N 2.89Å; K725-I727 VanDerWaalsContact C-N 3.35Å; K725-I727 PolarHBondContact O-N 3.31Å; K725-Y728 PolarHBondContact O-N 2.88Å; K725-K729 PolarHBondContact O-N 3.23Å; K725-K729 VanDerWaalsContact O-N 3.16Å
726	M	76.9	Confident	73.6	Confident	21 Å²	21	76.6 Å²	76.6	10%	0.103	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-36.7	179.8	-155.2	160	75.4	0	0	112.4	Y691 I694 E722 L723 R724 Y728 K729	Y691-M726 HydrophobicContact CD2-CE 3.29Å; Y691-M726 HydrophobicContact CE2-CE 3.41Å; Y691-M726 VanDerWaalsContact CE2-CE 3.41Å; Y691-M726 HydrophobicContact CE2-SD 4.12Å; Y691-M726 HydrophobicContact CG-CE 4.21Å; I694-M726 HydrophobicContact CB-CE 3.99Å; I694-M726 HydrophobicContact CG2-CE 3.74Å; I694-M726 HydrophobicContact CG2-CG 3.87Å; I694-M726 HydrophobicContact CG2-SD 4.48Å; E722-M726 WeakPolarHBondContact O-CB 3.45Å; E722-M726 PolarHBondContact O-N 3.06Å; L723-M726 HydrophobicContact CD1-CE 4.43Å; L723-M726 WeakPolarHBondContact O-CB 3.34Å; L723-M726 PolarHBondContact O-N 3.27Å; R724-M726 VanDerWaalsContact C-N 3.26Å; R724-M726 PolarHBondContact O-N 3.27Å; M726-Y728 VanDerWaalsContact C-N 3.3Å; M726-Y728 PolarHBondContact O-N 2.75Å; M726-K729 PolarHBondContact O-N 3.36Å
727	I	75.1	Confident	73	Confident	24 Å²	24	80.5 Å²	80.5	12%	0.123	41%	0.408	C	S	.	.	H	α-helix	trans	-62.9	-38.2	173.2	-60.8	167.8	0	0	0	110.9	I694 L723 R724 K725 F747 F750	I694-I727 HydrophobicContact CD1-CD1 4.29Å; I694-I727 HydrophobicContact CD1-CG1 3.48Å; I694-I727 VanDerWaalsContact CD1-CG1 3.48Å; L723-I727 WeakPolarHBondContact O-CG1 3.38Å; L723-I727 PolarHBondContact O-N 2.97Å; L723-I727 VanDerWaalsContact O-N 3.09Å; R724-I727 PolarHBondContact O-N 3.45Å; K725-I727 VanDerWaalsContact C-N 3.35Å; K725-I727 PolarHBondContact O-N 3.31Å; I727-F747 HydrophobicContact CB-CE1 4.3Å; I727-F747 HydrophobicContact CG2-CD1 3.8Å; I727-F747 HydrophobicContact CG2-CE1 3.31Å; I727-F747 HydrophobicContact CG2-CE2 4.39Å; I727-F747 HydrophobicContact CG2-CZ 3.64Å; I727-F750 HydrophobicContact CD1-CB 3.96Å; I727-F750 HydrophobicContact CD1-CD1 3.9Å; I727-F750 HydrophobicContact CD1-CD2 3.54Å; I727-F750 HydrophobicContact CD1-CE1 4.27Å; I727-F750 HydrophobicContact CD1-CE2 3.95Å; I727-F750 HydrophobicContact CD1-CG 3.5Å; I727-F750 HydrophobicContact CD1-CZ 4.3Å
728	Y	74.2	Confident	72.5	Confident	132 Å²	132	79 Å²	79	52%	0.518	41%	0.408	S	S	.	.	H	α-helix	trans	-76.2	-19.7	-180	-74.8	-65.2	0	0	0	114.9	R724 K725 M726 Y730 F747	R724-Y728 HydrophobicContact CG-CD2 4.09Å; R724-Y728 HydrophobicContact CG-CE2 3.67Å; R724-Y728 WeakPolarHBondContact O-CD2 3.45Å; R724-Y728 PolarHBondContact O-N 3.37Å; K725-Y728 PolarHBondContact O-N 2.88Å; M726-Y728 VanDerWaalsContact C-N 3.3Å; M726-Y728 PolarHBondContact O-N 2.75Å; Y728-Y730 VanDerWaalsContact C-N 3.35Å; Y728-Y730 PolarHBondContact O-N 3.23Å; Y728-F747 AromaticContact CD1-CE1 3.95Å; Y728-F747 HydrophobicContact CD1-CE1 3.95Å; Y728-F747 AromaticContact CD1-CZ 3.79Å; Y728-F747 HydrophobicContact CD1-CZ 3.79Å; Y728-F747 AromaticContact CE1-CE1 3.55Å; Y728-F747 HydrophobicContact CE1-CE1 3.55Å; Y728-F747 AromaticContact CE1-CZ 3.68Å; Y728-F747 HydrophobicContact CE1-CZ 3.68Å; Y728-F747 HydrophobicContact CE2-CE1 4.42Å; Y728-F747 AromaticContact CZ-CE1 3.81Å
729	K	71.6	Confident	72	Confident	141 Å²	141	78.6 Å²	78.6	61%	0.613	41%	0.412	S	S	*	.	H	α-helix	trans	-61.3	-36.6	-172.1	-85.4	-177.3	179.6	-179.6	0	114.3	K725 M726	K725-K729 PolarHBondContact O-N 3.23Å; K725-K729 VanDerWaalsContact O-N 3.16Å; M726-K729 PolarHBondContact O-N 3.36Å
730	Y	68	Low	71.5	Confident	80 Å²	80	80.3 Å²	80.3	31%	0.314	43%	0.427	S	S	.	.	S	Bend	trans	-101.8	129.4	-174.3	-60.9	-76.4	0	0	0	110.6	E698 Y728 R743	E698-Y730 HydrophobicContact CB-CE2 4.44Å; E698-Y730 VanDerWaalsContact CD-OH 3.28Å; E698-Y730 WeakPolarHBondContact CG-OH 3.09Å; E698-Y730 PolarHBondContact OE1-OH 3.4Å; E698-Y730 VanDerWaalsContact OE1-OH 3.09Å; Y728-Y730 VanDerWaalsContact C-N 3.35Å; Y728-Y730 PolarHBondContact O-N 3.23Å; Y730-R743 PolarHBondContact O-NH1 2.97Å; Y730-R743 PolarHBondContact O-NH2 3.41Å
731	A	64.2	Low	71.3	Confident	86 Å²	86	82.7 Å²	82.7	71%	0.711	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-77.7	152.1	169.1	0	0	0	0	0	110.7	R743	A731-R743 VanDerWaalsContact C-CZ 3.47Å; A731-R743 PolarHBondContact O-NH2 3.16Å
732	P	61.7	Low	70.9	Confident	35 Å²	35	85.6 Å²	85.6	23%	0.227	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-73.7	138.4	-177.6	18.9	-8	0	0	0	106.5	M734 A739 R743	P732-M734 VanDerWaalsContact C-N 3.33Å; P732-M734 HydrophobicContact CG-SD 4.25Å; P732-M734 PolarHBondContact O-N 3.4Å; P732-A739 HydrophobicContact CB-CB 4.37Å; P732-R743 VanDerWaalsContact CB-NE 3.28Å; P732-R743 VanDerWaalsContact CG-CZ 3.43Å
733	D	65.1	Low	70.6	Confident	79 Å²	79	83.9 Å²	83.9	42%	0.422	44%	0.443	S	S	.	.			trans	-67.7	97.1	170.5	-170.9	-1.2	0	0	0	108.4	T735 K736 A739	D733-T735 PolarHBondContact O-N 3.41Å; D733-T735 WeakPolarHBondContact OD1-CB 3.28Å; D733-T735 WeakPolarHBondContact OD1-CG2 3.28Å; D733-T735 PolarHBondContact OD1-N 2.75Å; D733-T735 PolarHBondContact OD1-OG1 3.34Å; D733-T735 PolarHBondContact OD2-OG1 2.85Å; D733-K736 PolarHBondContact O-N 3.46Å; D733-K736 VanDerWaalsContact O-N 3.1Å; D733-A739 VanDerWaalsContact O-CB 3.32Å; D733-A739 WeakPolarHBondContact O-CB 3.45Å
734	M	58.5	Low	70.6	Confident	156 Å²	156	89.8 Å²	89.8	77%	0.768	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.1	-176.4	-66.5	-66.2	-80.8	0	0	112.6	P732 K736	P732-M734 VanDerWaalsContact C-N 3.33Å; P732-M734 HydrophobicContact CG-SD 4.25Å; P732-M734 PolarHBondContact O-N 3.4Å; M734-K736 VanDerWaalsContact C-N 3.32Å
735	T	62.3	Low	70.5	Confident	118 Å²	118	90.8 Å²	90.8	72%	0.724	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.7	175.5	66.6	0	0	0	0	112.8	D733	D733-T735 PolarHBondContact O-N 3.41Å; D733-T735 WeakPolarHBondContact OD1-CB 3.28Å; D733-T735 WeakPolarHBondContact OD1-CG2 3.28Å; D733-T735 PolarHBondContact OD1-N 2.75Å; D733-T735 PolarHBondContact OD1-OG1 3.34Å; D733-T735 PolarHBondContact OD2-OG1 2.85Å
736	K	63.7	Low	70.5	Confident	136 Å²	136	87 Å²	87	59%	0.591	46%	0.463	S	S	*	.	S	Bend	trans	-92.3	112	179.3	-69.9	178	-173	173.8	0	109.9	D733 M734 N738 A739	D733-K736 PolarHBondContact O-N 3.46Å; D733-K736 VanDerWaalsContact O-N 3.1Å; M734-K736 VanDerWaalsContact C-N 3.32Å; K736-N738 PolarHBondContact O-N 3.47Å; K736-A739 HydrophobicContact CB-CB 3.95Å; K736-A739 WeakPolarHBondContact O-CB 3.39Å; K736-A739 PolarHBondContact O-N 3.29Å
737	A	62.9	Low	70.7	Confident	93 Å²	93	87.6 Å²	87.6	77%	0.769	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	127.1	166.6	0	0	0	0	0	108.8
738	N	66.8	Low	71.1	Confident	132 Å²	132	91 Å²	91	71%	0.706	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-1.3	-176.1	-46.8	-20.2	0	0	0	117.4	K736 A740 A741 K742	K736-N738 PolarHBondContact O-N 3.47Å; N738-A740 VanDerWaalsContact C-N 3.31Å; N738-A740 PolarHBondContact O-N 3.33Å; N738-A741 PolarHBondContact O-N 3.46Å; N738-K742 WeakPolarHBondContact O-CB 3.37Å; N738-K742 PolarHBondContact O-N 2.93Å
739	A	70.8	Confident	71.5	Confident	26 Å²	26	89.6 Å²	89.6	22%	0.215	48%	0.48	C	S	.	.	H	α-helix	trans	-63.6	-36	176.4	0	0	0	0	0	113.1	P732 D733 K736 R743	P732-A739 HydrophobicContact CB-CB 4.37Å; D733-A739 VanDerWaalsContact O-CB 3.32Å; D733-A739 WeakPolarHBondContact O-CB 3.45Å; K736-A739 HydrophobicContact CB-CB 3.95Å; K736-A739 WeakPolarHBondContact O-CB 3.39Å; K736-A739 PolarHBondContact O-N 3.29Å; A739-R743 WeakPolarHBondContact O-CB 3.39Å; A739-R743 PolarHBondContact O-N 3.1Å
740	A	71.3	Confident	72.2	Confident	53 Å²	53	82.9 Å²	82.9	44%	0.438	45%	0.451	S	S	.	.	H	α-helix	trans	-66.6	-46.2	175.1	0	0	0	0	0	112	N738 R743 E744	N738-A740 VanDerWaalsContact C-N 3.31Å; N738-A740 PolarHBondContact O-N 3.33Å; A740-R743 WeakPolarHBondContact O-CB 3.44Å; A740-R743 PolarHBondContact O-N 3.03Å; A740-E744 PolarHBondContact O-N 3.34Å; A740-E744 VanDerWaalsContact O-N 3.07Å
741	A	76.7	Confident	73	Confident	49 Å²	49	82.7 Å²	82.7	41%	0.405	45%	0.452	S	S	.	.	H	α-helix	trans	-63.6	-43.7	178.9	0	0	0	0	0	112.2	N738 R743 E744 E745	N738-A741 PolarHBondContact O-N 3.46Å; A741-R743 VanDerWaalsContact C-N 3.27Å; A741-R743 PolarHBondContact O-N 3.43Å; A741-E744 PolarHBondContact O-N 3.32Å; A741-E744 VanDerWaalsContact O-N 3.14Å; A741-E745 PolarHBondContact O-N 3.44Å
742	K	74.3	Confident	74.1	Confident	129 Å²	129	84.5 Å²	84.5	56%	0.561	45%	0.446	S	S	*	.	H	α-helix	trans	-62.1	-35.7	178	-169.6	175.4	-178.9	177.3	0	112.4	N738 E746	N738-K742 WeakPolarHBondContact O-CB 3.37Å; N738-K742 PolarHBondContact O-N 2.93Å; K742-E746 WeakPolarHBondContact O-CG 3.36Å; K742-E746 PolarHBondContact O-N 2.91Å; K742-E746 VanDerWaalsContact O-N 3.15Å
743	R	75.4	Confident	75.1	Confident	63 Å²	63	83.2 Å²	83.2	24%	0.238	44%	0.438	C	S	.	.	H	α-helix	trans	-66.1	-44.3	173.7	165	-170.7	-60.3	-115.5	-25.9	111.9	Y730 A731 P732 A739 A740 A741 E745 E746 F747	Y730-R743 PolarHBondContact O-NH1 2.97Å; Y730-R743 PolarHBondContact O-NH2 3.41Å; A731-R743 VanDerWaalsContact C-CZ 3.47Å; A731-R743 PolarHBondContact O-NH2 3.16Å; P732-R743 VanDerWaalsContact CB-NE 3.28Å; P732-R743 VanDerWaalsContact CG-CZ 3.43Å; A739-R743 WeakPolarHBondContact O-CB 3.39Å; A739-R743 PolarHBondContact O-N 3.1Å; A740-R743 WeakPolarHBondContact O-CB 3.44Å; A740-R743 PolarHBondContact O-N 3.03Å; A741-R743 VanDerWaalsContact C-N 3.27Å; A741-R743 PolarHBondContact O-N 3.43Å; R743-E745 VanDerWaalsContact C-N 3.29Å; R743-E745 PolarHBondContact O-N 3.23Å; R743-E746 WeakPolarHBondContact O-CB 3.47Å; R743-E746 PolarHBondContact O-N 3.12Å; R743-E746 VanDerWaalsContact O-N 3.14Å; R743-F747 HydrophobicContact CG-CD2 3.66Å; R743-F747 HydrophobicContact CG-CE2 3.45Å; R743-F747 VanDerWaalsContact CG-CE2 3.45Å; R743-F747 VanDerWaalsContact O-CD2 3.25Å; R743-F747 WeakPolarHBondContact O-CD2 3.49Å; R743-F747 PolarHBondContact O-N 3.16Å
744	E	79.2	Confident	76	Confident	126 Å²	126	80.1 Å²	80.1	59%	0.589	42%	0.421	S	S	*	.	H	α-helix	trans	-61.9	-40.4	178.8	-169.1	174.6	179	0	0	111.2	A740 A741 E746 F747 N748	A740-E744 PolarHBondContact O-N 3.34Å; A740-E744 VanDerWaalsContact O-N 3.07Å; A741-E744 PolarHBondContact O-N 3.32Å; A741-E744 VanDerWaalsContact O-N 3.14Å; E744-E746 VanDerWaalsContact C-N 3.33Å; E744-E746 PolarHBondContact O-N 2.91Å; E744-F747 PolarHBondContact O-N 3.01Å; E744-N748 WeakPolarHBondContact O-CB 3.34Å; E744-N748 VanDerWaalsContact O-CG 3.27Å; E744-N748 PolarHBondContact O-N 3.09Å; E744-N748 PolarHBondContact O-ND2 3.29Å
745	E	80.5	Confident	77.2	Confident	112 Å²	112	77.5 Å²	77.5	52%	0.523	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-39.7	171.3	-73.5	-176.8	-169.1	0	0	113.2	A741 R743 N748 K749	A741-E745 PolarHBondContact O-N 3.44Å; R743-E745 VanDerWaalsContact C-N 3.29Å; R743-E745 PolarHBondContact O-N 3.23Å; E745-N748 PolarHBondContact O-N 3.24Å; E745-K749 WeakPolarHBondContact O-CB 3.33Å; E745-K749 VanDerWaalsContact O-CG 3.26Å; E745-K749 WeakPolarHBondContact O-CG 3.23Å; E745-K749 PolarHBondContact O-N 2.8Å
746	E	80.4	Confident	78.1	Confident	37 Å²	37	74.9 Å²	74.9	17%	0.173	39%	0.39	C	S	.	.	H	α-helix	trans	-66.1	-42.2	177.1	-75	170.6	-173.2	0	0	111.8	R697 K742 R743 E744 K749 F750	R697-E746 IonicContact CZ-OE1 2.71Å; R697-E746 IonicContact CZ-OE2 3.56Å; R697-E746 IonicContact NH1-OE1 2.95Å; R697-E746 PolarHBondContact NH1-OE1 3.1Å; R697-E746 IonicContact NH1-OE2 3.62Å; R697-E746 PolarHBondContact NH1-OE2 3.36Å; R697-E746 IonicContact NH2-OE1 3.67Å; R697-E746 PolarHBondContact NH2-OE1 3.39Å; R697-E746 IonicContact NH2-OE2 3.31Å; K742-E746 WeakPolarHBondContact O-CG 3.36Å; K742-E746 PolarHBondContact O-N 2.91Å; K742-E746 VanDerWaalsContact O-N 3.15Å; R743-E746 WeakPolarHBondContact O-CB 3.47Å; R743-E746 PolarHBondContact O-N 3.12Å; R743-E746 VanDerWaalsContact O-N 3.14Å; E744-E746 VanDerWaalsContact C-N 3.33Å; E744-E746 PolarHBondContact O-N 2.91Å; E746-K749 PolarHBondContact O-N 3.1Å; E746-F750 WeakPolarHBondContact O-CB 3.32Å; E746-F750 PolarHBondContact O-N 2.77Å
747	F	81.2	Confident	79	Confident	32 Å²	32	68.4 Å²	68.4	14%	0.14	36%	0.362	C	S	.	.	H	α-helix	trans	-60.1	-48.5	172.5	-81.8	-65.2	0	0	0	111.2	I727 Y728 R743 E744 K749 F750 F751	I727-F747 HydrophobicContact CB-CE1 4.3Å; I727-F747 HydrophobicContact CG2-CD1 3.8Å; I727-F747 HydrophobicContact CG2-CE1 3.31Å; I727-F747 HydrophobicContact CG2-CE2 4.39Å; I727-F747 HydrophobicContact CG2-CZ 3.64Å; Y728-F747 AromaticContact CD1-CE1 3.95Å; Y728-F747 HydrophobicContact CD1-CE1 3.95Å; Y728-F747 AromaticContact CD1-CZ 3.79Å; Y728-F747 HydrophobicContact CD1-CZ 3.79Å; Y728-F747 AromaticContact CE1-CE1 3.55Å; Y728-F747 HydrophobicContact CE1-CE1 3.55Å; Y728-F747 AromaticContact CE1-CZ 3.68Å; Y728-F747 HydrophobicContact CE1-CZ 3.68Å; Y728-F747 HydrophobicContact CE2-CE1 4.42Å; Y728-F747 AromaticContact CZ-CE1 3.81Å; R743-F747 HydrophobicContact CG-CD2 3.66Å; R743-F747 HydrophobicContact CG-CE2 3.45Å; R743-F747 VanDerWaalsContact CG-CE2 3.45Å; R743-F747 VanDerWaalsContact O-CD2 3.25Å; R743-F747 WeakPolarHBondContact O-CD2 3.49Å; R743-F747 PolarHBondContact O-N 3.16Å; E744-F747 PolarHBondContact O-N 3.01Å; F747-K749 VanDerWaalsContact C-N 3.34Å; F747-K749 PolarHBondContact O-N 3.19Å; F747-F750 PolarHBondContact O-N 3.44Å; F747-F751 HydrophobicContact CB-CD2 4.28Å; F747-F751 HydrophobicContact CB-CE2 4.25Å; F747-F751 AromaticContact CD1-CE2 3.84Å; F747-F751 HydrophobicContact CD1-CE2 3.84Å; F747-F751 HydrophobicContact CG-CE2 4.47Å; F747-F751 WeakPolarHBondContact O-CD2 3.47Å; F747-F751 PolarHBondContact O-N 2.87Å
748	N	83.5	Confident	79.8	Confident	95 Å²	95	66.7 Å²	66.7	51%	0.508	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-41.9	-179.3	-71.8	-21.1	0	0	0	111.7	E744 E745 Q752	E744-N748 WeakPolarHBondContact O-CB 3.34Å; E744-N748 VanDerWaalsContact O-CG 3.27Å; E744-N748 PolarHBondContact O-N 3.09Å; E744-N748 PolarHBondContact O-ND2 3.29Å; E745-N748 PolarHBondContact O-N 3.24Å; N748-Q752 WeakPolarHBondContact O-CB 3.26Å; N748-Q752 PolarHBondContact O-N 3.36Å
749	K	83.4	Confident	80.1	Confident	103 Å²	103	67.3 Å²	67.3	45%	0.448	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-38.2	175.9	-70.7	169.9	-175.9	167.5	0	112.7	F690 E745 E746 F747 S753	F690-K749 HydrophobicContact CE1-CB 4.37Å; F690-K749 HydrophobicContact CE2-CB 4.12Å; F690-K749 HydrophobicContact CZ-CB 3.47Å; F690-K749 VanDerWaalsContact CZ-CB 3.47Å; F690-K749 HydrophobicContact CZ-CD 4.11Å; F690-K749 HydrophobicContact CZ-CG 4.41Å; E745-K749 WeakPolarHBondContact O-CB 3.33Å; E745-K749 VanDerWaalsContact O-CG 3.26Å; E745-K749 WeakPolarHBondContact O-CG 3.23Å; E745-K749 PolarHBondContact O-N 2.8Å; E746-K749 PolarHBondContact O-N 3.1Å; F747-K749 VanDerWaalsContact C-N 3.34Å; F747-K749 PolarHBondContact O-N 3.19Å; K749-S753 WeakPolarHBondContact O-CB 3.5Å; K749-S753 PolarHBondContact O-N 2.9Å; K749-S753 VanDerWaalsContact O-N 3.08Å; K749-S753 PolarHBondContact O-OG 3.14Å
750	F	85.9	Confident	79.9	Confident	1 Å²	1	68.8 Å²	68.8	0%	0.004	35%	0.346	C	S	.	.	H	α-helix	trans	-64.3	-52.6	175.2	172.4	-101.2	0	0	0	110.9	L687 I720 L723 R724 I727 E746 F747 Q752 S753 V754	L687-F750 HydrophobicContact CD2-CD2 3.84Å; L687-F750 HydrophobicContact CD2-CE2 3.95Å; I720-F750 HydrophobicContact CG2-CZ 4.03Å; L723-F750 HydrophobicContact CB-CE2 4.49Å; L723-F750 HydrophobicContact CD2-CD2 4.26Å; L723-F750 HydrophobicContact CD2-CE2 3.75Å; L723-F750 HydrophobicContact CG-CD2 4.45Å; L723-F750 HydrophobicContact CG-CE2 3.87Å; R724-F750 HydrophobicContact CB-CE1 4.17Å; R724-F750 HydrophobicContact CB-CZ 3.97Å; R724-F750 HydrophobicContact CG-CE1 4.09Å; R724-F750 HydrophobicContact CG-CZ 4.4Å; I727-F750 HydrophobicContact CD1-CB 3.96Å; I727-F750 HydrophobicContact CD1-CD1 3.9Å; I727-F750 HydrophobicContact CD1-CD2 3.54Å; I727-F750 HydrophobicContact CD1-CE1 4.27Å; I727-F750 HydrophobicContact CD1-CE2 3.95Å; I727-F750 HydrophobicContact CD1-CG 3.5Å; I727-F750 HydrophobicContact CD1-CZ 4.3Å; E746-F750 WeakPolarHBondContact O-CB 3.32Å; E746-F750 PolarHBondContact O-N 2.77Å; F747-F750 PolarHBondContact O-N 3.44Å; F750-Q752 VanDerWaalsContact C-N 3.34Å; F750-Q752 PolarHBondContact O-N 2.9Å; F750-S753 WeakPolarHBondContact O-CB 3.34Å; F750-S753 PolarHBondContact O-N 3.24Å; F750-S753 VanDerWaalsContact O-N 3.08Å; F750-V754 HydrophobicContact CD1-CG2 4.26Å; F750-V754 HydrophobicContact CD2-CG2 4.22Å; F750-V754 HydrophobicContact CE1-CG2 3.83Å; F750-V754 HydrophobicContact CE2-CG2 3.78Å; F750-V754 HydrophobicContact CG-CG2 4.46Å; F750-V754 HydrophobicContact CZ-CG2 3.58Å; F750-V754 WeakPolarHBondContact O-CG2 3.46Å; F750-V754 PolarHBondContact O-N 2.93Å
751	F	86	Confident	79.3	Confident	76 Å²	76	68 Å²	68	33%	0.333	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-39.7	179.7	-73.4	-63.7	0	0	0	112	F747 S753 V754 D755	F747-F751 HydrophobicContact CB-CD2 4.28Å; F747-F751 HydrophobicContact CB-CE2 4.25Å; F747-F751 AromaticContact CD1-CE2 3.84Å; F747-F751 HydrophobicContact CD1-CE2 3.84Å; F747-F751 HydrophobicContact CG-CE2 4.47Å; F747-F751 WeakPolarHBondContact O-CD2 3.47Å; F747-F751 PolarHBondContact O-N 2.87Å; F751-S753 VanDerWaalsContact C-N 3.26Å; F751-S753 PolarHBondContact O-N 2.79Å; F751-V754 PolarHBondContact O-N 3.36Å; F751-V754 VanDerWaalsContact O-N 3.13Å; F751-D755 WeakPolarHBondContact O-CB 3.46Å; F751-D755 PolarHBondContact O-N 3.08Å
752	Q	86.1	Confident	78.2	Confident	124 Å²	124	76.3 Å²	76.3	58%	0.579	36%	0.364	S	S	*	.	H	α-helix	trans	-60.3	-36.2	173.4	-172.3	-177.9	32.9	0	0	112.5	N748 F750 Q756	N748-Q752 WeakPolarHBondContact O-CB 3.26Å; N748-Q752 PolarHBondContact O-N 3.36Å; F750-Q752 VanDerWaalsContact C-N 3.34Å; F750-Q752 PolarHBondContact O-N 2.9Å; Q752-Q756 WeakPolarHBondContact O-CG 3.25Å; Q752-Q756 PolarHBondContact O-N 3.03Å
753	S	83.9	Confident	77	Confident	8 Å²	8	76 Å²	76	6%	0.056	37%	0.373	C	S	.	.	H	α-helix	trans	-72.9	-38.3	175.5	-57	0	0	0	0	111.4	V683 K749 F750 F751 Q756	V683-S753 WeakPolarHBondContact CG1-O 3.17Å; K749-S753 WeakPolarHBondContact O-CB 3.5Å; K749-S753 PolarHBondContact O-N 2.9Å; K749-S753 VanDerWaalsContact O-N 3.08Å; K749-S753 PolarHBondContact O-OG 3.14Å; F750-S753 WeakPolarHBondContact O-CB 3.34Å; F750-S753 PolarHBondContact O-N 3.24Å; F750-S753 VanDerWaalsContact O-N 3.08Å; F751-S753 VanDerWaalsContact C-N 3.26Å; F751-S753 PolarHBondContact O-N 2.79Å; S753-Q756 PolarHBondContact O-N 2.79Å
754	V	83.4	Confident	75.7	Confident	13 Å²	13	76.2 Å²	76.2	8%	0.079	39%	0.385	C	S	.	.	H	α-helix	trans	-68.5	-39.7	177.3	173.8	0	0	0	0	111.9	F677 I720 F750 F751 Q756 L757 V758	F677-V754 HydrophobicContact CD1-CG1 4.4Å; F677-V754 HydrophobicContact CE1-CG1 3.47Å; F677-V754 VanDerWaalsContact CE1-CG1 3.47Å; F677-V754 HydrophobicContact CZ-CG1 3.85Å; I720-V754 HydrophobicContact CG2-CG2 3.98Å; F750-V754 HydrophobicContact CD1-CG2 4.26Å; F750-V754 HydrophobicContact CD2-CG2 4.22Å; F750-V754 HydrophobicContact CE1-CG2 3.83Å; F750-V754 HydrophobicContact CE2-CG2 3.78Å; F750-V754 HydrophobicContact CG-CG2 4.46Å; F750-V754 HydrophobicContact CZ-CG2 3.58Å; F750-V754 WeakPolarHBondContact O-CG2 3.46Å; F750-V754 PolarHBondContact O-N 2.93Å; F751-V754 PolarHBondContact O-N 3.36Å; F751-V754 VanDerWaalsContact O-N 3.13Å; V754-Q756 PolarHBondContact O-N 2.8Å; V754-L757 WeakPolarHBondContact O-CA 3.38Å; V754-L757 WeakPolarHBondContact O-CB 3.29Å; V754-L757 PolarHBondContact O-N 3.39Å; V754-V758 PolarHBondContact O-N 2.81Å
755	D	83.7	Confident	74.1	Confident	101 Å²	101	79.6 Å²	79.6	54%	0.54	40%	0.398	S	S	.	.	H	α-helix	trans	-61.1	-33.5	176.8	-76.6	-14	0	0	0	111.9	F751 L757 V758	F751-D755 WeakPolarHBondContact O-CB 3.46Å; F751-D755 PolarHBondContact O-N 3.08Å; D755-L757 PolarHBondContact O-N 3.19Å; D755-V758 PolarHBondContact O-N 2.97Å
756	Q	80.8	Confident	72.6	Confident	64 Å²	64	78.5 Å²	78.5	30%	0.299	40%	0.399	S	S	.	.	H	α-helix	trans	-64	-21.5	173.6	-70.6	173.5	23.8	0	0	112.8	K680 V683 Q752 S753 V754	K680-Q756 VanDerWaalsContact CD-O 3.31Å; K680-Q756 WeakPolarHBondContact CD-O 3Å; K680-Q756 WeakPolarHBondContact CE-O 3.43Å; K680-Q756 PolarHBondContact NZ-O 3.34Å; V683-Q756 HydrophobicContact CG1-CB 4.4Å; V683-Q756 HydrophobicContact CG2-CB 4.02Å; Q752-Q756 WeakPolarHBondContact O-CG 3.25Å; Q752-Q756 PolarHBondContact O-N 3.03Å; S753-Q756 PolarHBondContact O-N 2.79Å; V754-Q756 PolarHBondContact O-N 2.8Å
757	L	82	Confident	71.4	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-90.9	-11	179.5	-60.9	164.6	0	0	0	113	F670 F677 Y678 K680 V683 V684 L687 I720 V754 D755	F670-L757 HydrophobicContact CZ-CD1 4.02Å; F670-L757 HydrophobicContact CZ-CD2 4.15Å; F677-L757 HydrophobicContact CB-CB 4.16Å; F677-L757 HydrophobicContact CD1-CB 3.79Å; F677-L757 HydrophobicContact CG-CB 4.4Å; Y678-L757 PolarHBondContact N-O 3Å; Y678-L757 WeakPolarHBondContact O-CD2 3.24Å; K680-L757 HydrophobicContact CB-CD2 4.04Å; K680-L757 HydrophobicContact CG-CD2 4.4Å; V683-L757 HydrophobicContact CB-CD2 3.9Å; V683-L757 HydrophobicContact CB-CG 4.34Å; V683-L757 HydrophobicContact CG1-CD1 3.99Å; V683-L757 HydrophobicContact CG1-CD2 3.87Å; V683-L757 HydrophobicContact CG1-CG 3.75Å; V684-L757 HydrophobicContact CG2-CD2 4.45Å; L687-L757 HydrophobicContact CD1-CD1 3.61Å; I720-L757 HydrophobicContact CD1-CD1 3.88Å; V754-L757 WeakPolarHBondContact O-CA 3.38Å; V754-L757 WeakPolarHBondContact O-CB 3.29Å; V754-L757 PolarHBondContact O-N 3.39Å; D755-L757 PolarHBondContact O-N 3.19Å
758	V	80.4	Confident	70.5	Confident	57 Å²	57	82.7 Å²	82.7	35%	0.345	43%	0.426	S	S	.	.	H	α-helix	trans	-70.3	-35.2	-177	177.1	0	0	0	0	111.8	F677 Y678 V754 D755	F677-V758 HydrophobicContact CD1-CG2 4.48Å; F677-V758 HydrophobicContact CE1-CG2 4.16Å; Y678-V758 VanDerWaalsContact CD2-O 3.32Å; Y678-V758 WeakPolarHBondContact CD2-O 3.39Å; Y678-V758 VanDerWaalsContact CE2-O 3.29Å; Y678-V758 WeakPolarHBondContact CE2-O 3.35Å; V754-V758 PolarHBondContact O-N 2.81Å; D755-V758 PolarHBondContact O-N 2.97Å
759	F	74.1	Confident	69.8	Low	145 Å²	145	81.4 Å²	81.4	64%	0.636	42%	0.424	S	S	*	.	S	Bend	trans	-105.3	136.6	-179	-60.7	-74.7	0	0	0	111.3	K680	K680-F759 VanDerWaalsContact CE-O 3.23Å; K680-F759 WeakPolarHBondContact CE-O 3.35Å; K680-F759 PolarHBondContact NZ-O 3.23Å
760	P	66	Low	69.1	Low	57 Å²	57	80.3 Å²	80.3	37%	0.37	43%	0.426	S	S	.	.			trans	-57.7	148.1	172	25.8	-31.5	0	0	0	109.4	Y678 K762	Y678-P760 HydrophobicContact CD1-CB 3.84Å; Y678-P760 HydrophobicContact CD2-CB 4.33Å; Y678-P760 HydrophobicContact CE1-CB 3.96Å; Y678-P760 HydrophobicContact CE1-CG 4.38Å; Y678-P760 HydrophobicContact CE2-CB 4.45Å; Y678-P760 HydrophobicContact CE2-CG 4.37Å; Y678-P760 HydrophobicContact CG-CB 4.02Å; P760-K762 PolarHBondContact O-N 3.41Å
761	S	58.5	Low	68.3	Low	36 Å²	36	82.2 Å²	82.2	25%	0.252	44%	0.435	S	S	.	.			trans	-57.3	131.9	168.5	-48.1	0	0	0	0	107.6	K680 T763 S764	K680-S761 WeakPolarHBondContact CE-OG 3.41Å; S761-T763 PolarHBondContact O-N 3.04Å; S761-S764 WeakPolarHBondContact O-CB 3.49Å; S761-S764 PolarHBondContact O-N 2.75Å; S761-S764 PolarHBondContact O-OG 2.85Å
762	K	54.2	Low	67.7	Low	223 Å²	223	83.2 Å²	83.2	97%	0.97	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-15.3	172.6	-72.8	-172.6	177.1	-174.6	0	112.6	P760	P760-K762 PolarHBondContact O-N 3.41Å
763	T	48.7	Very low	67.3	Low	123 Å²	123	85 Å²	85	76%	0.755	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	11.4	174.2	54.6	0	0	0	0	114	S761 F765	S761-T763 PolarHBondContact O-N 3.04Å; T763-F765 PolarHBondContact O-N 2.87Å
764	S	47	Very low	66.9	Low	68 Å²	68	91.6 Å²	91.6	48%	0.476	46%	0.463	S	S	.	.	S	Bend	trans	-62.4	88.9	168.6	-74.3	0	0	0	0	108.8	S761 T766	S761-S764 WeakPolarHBondContact O-CB 3.49Å; S761-S764 PolarHBondContact O-N 2.75Å; S761-S764 PolarHBondContact O-OG 2.85Å; S764-T766 PolarHBondContact O-N 2.76Å
765	F	47.4	Very low	66.6	Low	197 Å²	197	92.9 Å²	92.9	86%	0.864	47%	0.469	S	S	*	.			trans	24.2	73.4	153.4	-64.8	-92.1	0	0	0	111.7	T763 N767	T763-F765 PolarHBondContact O-N 2.87Å; F765-N767 PolarHBondContact O-N 3.14Å
766	T	48.6	Very low	66.4	Low	89 Å²	89	88.7 Å²	88.7	55%	0.546	45%	0.449	S	S	.	.			trans	-56.1	97.6	150.2	45.9	0	0	0	0	103.5	S764 T768 E771	S764-T766 PolarHBondContact O-N 2.76Å; T766-T768 PolarHBondContact O-N 3.42Å; T766-E771 HydrophobicContact CG2-CG 4.05Å
767	N	54.2	Low	66.4	Low	93 Å²	93	92.5 Å²	92.5	50%	0.497	46%	0.462	S	S	.	.			trans	-48.2	116.2	-177.2	179.9	-17.2	0	0	0	104.5	F765 S769 V770 E771	F765-N767 PolarHBondContact O-N 3.14Å; N767-S769 PolarHBondContact ND2-OG 3.08Å; N767-S769 CarbonylContact O-C 3.51Å; N767-S769 PolarHBondContact O-N 3.33Å; N767-S769 WeakPolarHBondContact OD1-CB 3.39Å; N767-S769 PolarHBondContact OD1-N 2.78Å; N767-S769 PolarHBondContact OD1-OG 3.27Å; N767-V770 HydrophobicContact CB-CB 4.18Å; N767-V770 HydrophobicContact CB-CG2 3.8Å; N767-V770 WeakPolarHBondContact O-CA 3.33Å; N767-V770 WeakPolarHBondContact O-CB 3.46Å; N767-V770 PolarHBondContact O-N 3.32Å; N767-E771 PolarHBondContact O-N 2.9Å
768	T	63	Low	66.4	Low	63 Å²	63	95.6 Å²	95.6	39%	0.387	48%	0.481	S	S	.	.	H	α-helix	trans	-51.8	-31.7	-170.3	-45.8	0	0	0	0	109.4	T766 R772 I908	T766-T768 PolarHBondContact O-N 3.42Å; T768-R772 HydrophobicContact CG2-CG 4.43Å; T768-R772 WeakPolarHBondContact O-CB 3.47Å; T768-R772 WeakPolarHBondContact O-CG 3.4Å; T768-R772 PolarHBondContact O-N 3.01Å; T768-I908 HydrophobicContact CG2-CG2 3.84Å
769	S	69.5	Low	66.4	Low	68 Å²	68	94 Å²	94	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-63.3	-38.9	171.8	69.2	0	0	0	0	115.3	N767 Y773	N767-S769 PolarHBondContact ND2-OG 3.08Å; N767-S769 CarbonylContact O-C 3.51Å; N767-S769 PolarHBondContact O-N 3.33Å; N767-S769 WeakPolarHBondContact OD1-CB 3.39Å; N767-S769 PolarHBondContact OD1-N 2.78Å; N767-S769 PolarHBondContact OD1-OG 3.27Å; S769-Y773 WeakPolarHBondContact O-CB 3.39Å; S769-Y773 PolarHBondContact O-N 3.41Å
770	V	68.6	Low	66.8	Low	81 Å²	81	90.4 Å²	90.4	49%	0.491	46%	0.458	S	S	.	.	H	α-helix	trans	-71.3	-42.5	179.2	176.2	0	0	0	0	111.2	N767 Y773 R774	N767-V770 HydrophobicContact CB-CB 4.18Å; N767-V770 HydrophobicContact CB-CG2 3.8Å; N767-V770 WeakPolarHBondContact O-CA 3.33Å; N767-V770 WeakPolarHBondContact O-CB 3.46Å; N767-V770 PolarHBondContact O-N 3.32Å; V770-Y773 PolarHBondContact O-N 3.19Å; V770-R774 WeakPolarHBondContact O-CB 3.24Å; V770-R774 PolarHBondContact O-N 2.91Å
771	E	69.5	Low	67.6	Low	40 Å²	40	90.9 Å²	90.9	19%	0.187	46%	0.462	C	S	.	.	H	α-helix	trans	-70.7	-41.5	174.9	-76.3	-60.8	142.9	0	0	111.6	T766 N767 Y773 R774 I775	T766-E771 HydrophobicContact CG2-CG 4.05Å; N767-E771 PolarHBondContact O-N 2.9Å; E771-Y773 VanDerWaalsContact C-N 3.25Å; E771-Y773 PolarHBondContact O-N 3.47Å; E771-R774 PolarHBondContact O-N 3.34Å; E771-R774 VanDerWaalsContact O-N 3.17Å; E771-R774 IonicContact OE1-NE 3.52Å; E771-R774 IonicContact OE2-CZ 3.32Å; E771-R774 VanDerWaalsContact OE2-CZ 3.32Å; E771-R774 IonicContact OE2-NE 2.89Å; E771-R774 PolarHBondContact OE2-NE 3.33Å; E771-R774 IonicContact OE2-NH2 2.87Å; E771-R774 PolarHBondContact OE2-NH2 3.43Å; E771-I775 WeakPolarHBondContact O-CB 3.29Å; E771-I775 WeakPolarHBondContact O-CG1 3.48Å; E771-I775 PolarHBondContact O-N 3.15Å
772	R	73.3	Confident	68.7	Low	98 Å²	98	94 Å²	94	37%	0.37	47%	0.473	S	S	.	.	H	α-helix	trans	-57.9	-40.8	171.9	-74.4	-179.7	-173.9	177.8	6	111.5	T768 G776 W905 I908	T768-R772 HydrophobicContact CG2-CG 4.43Å; T768-R772 WeakPolarHBondContact O-CB 3.47Å; T768-R772 WeakPolarHBondContact O-CG 3.4Å; T768-R772 PolarHBondContact O-N 3.01Å; R772-G776 PolarHBondContact O-N 3.01Å; R772-W905 HydrophobicContact CB-CG 4.4Å; R772-W905 HydrophobicContact CG-CB 4.5Å; R772-W905 HydrophobicContact CG-CD2 4.5Å; R772-W905 HydrophobicContact CG-CG 3.94Å; R772-W905 PolarHBondContact O-NE1 3.31Å; R772-I908 HydrophobicContact CG-CD1 4.06Å; R772-I908 PolarHBondContact NH2-OXT 2.91Å
773	Y	76.2	Confident	70	Confident	162 Å²	162	84 Å²	84	64%	0.635	43%	0.431	S	S	*	.	H	α-helix	trans	-64.8	-47.3	174	175.9	-95.8	0	0	0	111.9	S769 V770 E771 I775 G776 Y777	S769-Y773 WeakPolarHBondContact O-CB 3.39Å; S769-Y773 PolarHBondContact O-N 3.41Å; V770-Y773 PolarHBondContact O-N 3.19Å; E771-Y773 VanDerWaalsContact C-N 3.25Å; E771-Y773 PolarHBondContact O-N 3.47Å; Y773-I775 PolarHBondContact O-N 3.19Å; Y773-G776 PolarHBondContact O-N 2.97Å; Y773-Y777 VanDerWaalsContact O-CB 3.27Å; Y773-Y777 WeakPolarHBondContact O-CB 3.43Å; Y773-Y777 PolarHBondContact O-N 3.11Å
774	R	75.1	Confident	71.5	Confident	145 Å²	145	83.9 Å²	83.9	55%	0.547	42%	0.419	S	S	.	.	H	α-helix	trans	-61.4	-45.4	-179.7	-170	179.8	73.7	111.1	1.3	111.4	V770 E771 T778	V770-R774 WeakPolarHBondContact O-CB 3.24Å; V770-R774 PolarHBondContact O-N 2.91Å; E771-R774 PolarHBondContact O-N 3.34Å; E771-R774 VanDerWaalsContact O-N 3.17Å; E771-R774 IonicContact OE1-NE 3.52Å; E771-R774 IonicContact OE2-CZ 3.32Å; E771-R774 VanDerWaalsContact OE2-CZ 3.32Å; E771-R774 IonicContact OE2-NE 2.89Å; E771-R774 PolarHBondContact OE2-NE 3.33Å; E771-R774 IonicContact OE2-NH2 2.87Å; E771-R774 PolarHBondContact OE2-NH2 3.43Å; R774-T778 WeakPolarHBondContact O-CB 3.41Å; R774-T778 PolarHBondContact O-N 2.71Å; R774-T778 PolarHBondContact O-OG1 3.43Å
775	I	79.1	Confident	73.2	Confident	41 Å²	41	83 Å²	83	21%	0.21	42%	0.416	C	S	.	.	H	α-helix	trans	-66.6	-46	177.7	-72.3	163.8	0	0	0	110.3	E771 Y773 Y777 T778 L779 C904 I908	E771-I775 WeakPolarHBondContact O-CB 3.29Å; E771-I775 WeakPolarHBondContact O-CG1 3.48Å; E771-I775 PolarHBondContact O-N 3.15Å; Y773-I775 PolarHBondContact O-N 3.19Å; I775-Y777 PolarHBondContact O-N 2.83Å; I775-T778 PolarHBondContact O-N 3.1Å; I775-L779 HydrophobicContact CG2-CD1 3.81Å; I775-L779 WeakPolarHBondContact O-CB 3.09Å; I775-L779 PolarHBondContact O-N 3.5Å; I775-C904 HydrophobicContact CG2-CB 3.79Å; I775-I908 HydrophobicContact CD1-CD1 3.32Å; I775-I908 HydrophobicContact CD1-CG1 4.23Å
776	G	79.4	Confident	74.8	Confident	12 Å²	12	79.5 Å²	79.5	12%	0.124	40%	0.401	C	S	.	.	H	α-helix	trans	-61.6	-42.2	177	0	0	0	0	0	113.1	R772 Y773 L780	R772-G776 PolarHBondContact O-N 3.01Å; Y773-G776 PolarHBondContact O-N 2.97Å; G776-L780 WeakPolarHBondContact O-CB 3.42Å; G776-L780 PolarHBondContact O-N 2.97Å
777	Y	79.2	Confident	76.2	Confident	144 Å²	144	76.2 Å²	76.2	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-64.3	-41.1	175.3	-176.1	-94.3	0	0	0	112	Y773 I775 S781	Y773-Y777 VanDerWaalsContact O-CB 3.27Å; Y773-Y777 WeakPolarHBondContact O-CB 3.43Å; Y773-Y777 PolarHBondContact O-N 3.11Å; I775-Y777 PolarHBondContact O-N 2.83Å; Y777-S781 VanDerWaalsContact O-CB 3.3Å; Y777-S781 WeakPolarHBondContact O-CB 3.27Å; Y777-S781 PolarHBondContact O-N 3.17Å
778	T	81.8	Confident	77.5	Confident	65 Å²	65	75 Å²	75	40%	0.399	37%	0.37	S	S	.	.	H	α-helix	trans	-67.2	-47.4	180	-53.2	0	0	0	0	111.3	R774 I775 S781 Q782	R774-T778 WeakPolarHBondContact O-CB 3.41Å; R774-T778 PolarHBondContact O-N 2.71Å; R774-T778 PolarHBondContact O-OG1 3.43Å; I775-T778 PolarHBondContact O-N 3.1Å; T778-S781 PolarHBondContact O-N 2.94Å; T778-Q782 WeakPolarHBondContact O-CG 3.39Å; T778-Q782 PolarHBondContact O-N 3.26Å
779	L	81.1	Confident	78.1	Confident	24 Å²	24	76.4 Å²	76.4	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-61.5	-44.7	175.6	-78.2	167.8	0	0	0	111.3	I775 S781 Q782 T783 L897 D900 L901	I775-L779 HydrophobicContact CG2-CD1 3.81Å; I775-L779 WeakPolarHBondContact O-CB 3.09Å; I775-L779 PolarHBondContact O-N 3.5Å; L779-S781 PolarHBondContact O-N 3.22Å; L779-Q782 PolarHBondContact O-N 3.17Å; L779-T783 WeakPolarHBondContact O-CB 3.37Å; L779-T783 PolarHBondContact O-N 2.74Å; L779-T783 PolarHBondContact O-OG1 2.8Å; L779-T783 VanDerWaalsContact O-OG1 3.1Å; L779-L897 HydrophobicContact CB-CD1 3.74Å; L779-D900 HydrophobicContact CD2-CB 4.36Å; L779-L901 HydrophobicContact CD1-CD2 4.43Å; L779-L901 HydrophobicContact CD1-CG 3.92Å
780	L	81.9	Confident	78.4	Confident	70 Å²	70	75.7 Å²	75.7	37%	0.366	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-44.7	177.1	-175.5	67.9	0	0	0	111.8	G776 T783 F784 L897	G776-L780 WeakPolarHBondContact O-CB 3.42Å; G776-L780 PolarHBondContact O-N 2.97Å; L780-T783 PolarHBondContact O-N 3.03Å; L780-F784 HydrophobicContact CD1-CD2 3.99Å; L780-F784 HydrophobicContact CD1-CE2 3.45Å; L780-F784 VanDerWaalsContact CD1-CE2 3.45Å; L780-F784 HydrophobicContact CD1-CZ 4.06Å; L780-F784 HydrophobicContact CD2-CE2 3.94Å; L780-F784 HydrophobicContact CG-CD2 3.76Å; L780-F784 HydrophobicContact CG-CE2 3.47Å; L780-F784 VanDerWaalsContact CG-CE2 3.47Å; L780-F784 WeakPolarHBondContact O-CD2 3.35Å; L780-F784 PolarHBondContact O-N 3.48Å; L780-L897 HydrophobicContact CD1-CD2 3.9Å
781	S	82.5	Confident	78.7	Confident	66 Å²	66	74.4 Å²	74.4	46%	0.462	36%	0.36	S	S	.	.	H	α-helix	trans	-61.1	-44.9	176.9	-172.9	0	0	0	0	111.8	Y777 T778 L779 F784 A785	Y777-S781 VanDerWaalsContact O-CB 3.3Å; Y777-S781 WeakPolarHBondContact O-CB 3.27Å; Y777-S781 PolarHBondContact O-N 3.17Å; T778-S781 PolarHBondContact O-N 2.94Å; L779-S781 PolarHBondContact O-N 3.22Å; S781-F784 PolarHBondContact O-N 3.4Å; S781-A785 PolarHBondContact O-N 3.39Å
782	Q	82.7	Confident	78.9	Confident	103 Å²	103	73.1 Å²	73.1	48%	0.481	36%	0.355	S	S	.	.	H	α-helix	trans	-63.6	-41.3	176.1	-71.7	176.4	5.5	0	0	112.2	T778 L779 A785 K786	T778-Q782 WeakPolarHBondContact O-CG 3.39Å; T778-Q782 PolarHBondContact O-N 3.26Å; L779-Q782 PolarHBondContact O-N 3.17Å; Q782-A785 PolarHBondContact O-N 3.04Å; Q782-K786 WeakPolarHBondContact O-CG 3.07Å; Q782-K786 PolarHBondContact O-N 3.06Å
783	T	81.9	Confident	78.8	Confident	13 Å²	13	72.9 Å²	72.9	8%	0.08	36%	0.361	C	S	.	.	H	α-helix	trans	-67.5	-38.6	177.9	-63.1	0	0	0	0	111.8	L779 L780 A785 K786 L787 L897	L779-T783 WeakPolarHBondContact O-CB 3.37Å; L779-T783 PolarHBondContact O-N 2.74Å; L779-T783 PolarHBondContact O-OG1 2.8Å; L779-T783 VanDerWaalsContact O-OG1 3.1Å; L780-T783 PolarHBondContact O-N 3.03Å; T783-A785 VanDerWaalsContact C-N 3.35Å; T783-K786 PolarHBondContact O-N 3.46Å; T783-L787 HydrophobicContact CG2-CD1 4.22Å; T783-L787 WeakPolarHBondContact O-CB 3.49Å; T783-L787 WeakPolarHBondContact O-CG 3.21Å; T783-L787 PolarHBondContact O-N 3.5Å; T783-L897 HydrophobicContact CG2-CB 4.03Å; T783-L897 HydrophobicContact CG2-CD2 4.11Å; T783-L897 HydrophobicContact CG2-CG 4.42Å; T783-L897 VanDerWaalsContact OG1-CD1 3.27Å; T783-L897 WeakPolarHBondContact OG1-CD1 3.5Å
784	F	79.8	Confident	78.5	Confident	119 Å²	119	66.4 Å²	66.4	52%	0.522	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-38.9	172.6	-80.5	-54.6	0	0	0	112.5	L780 S781 L787 F788	L780-F784 HydrophobicContact CD1-CD2 3.99Å; L780-F784 HydrophobicContact CD1-CE2 3.45Å; L780-F784 VanDerWaalsContact CD1-CE2 3.45Å; L780-F784 HydrophobicContact CD1-CZ 4.06Å; L780-F784 HydrophobicContact CD2-CE2 3.94Å; L780-F784 HydrophobicContact CG-CD2 3.76Å; L780-F784 HydrophobicContact CG-CE2 3.47Å; L780-F784 VanDerWaalsContact CG-CE2 3.47Å; L780-F784 WeakPolarHBondContact O-CD2 3.35Å; L780-F784 PolarHBondContact O-N 3.48Å; S781-F784 PolarHBondContact O-N 3.4Å; F784-L787 PolarHBondContact O-N 2.8Å; F784-F788 VanDerWaalsContact O-CB 3.26Å; F784-F788 WeakPolarHBondContact O-CB 3.38Å; F784-F788 PolarHBondContact O-N 3.22Å
785	A	81.6	Confident	78.2	Confident	49 Å²	49	64 Å²	64	41%	0.405	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-47.9	173.2	0	0	0	0	0	111.3	S781 Q782 T783 L787 F788 D789	S781-A785 PolarHBondContact O-N 3.39Å; Q782-A785 PolarHBondContact O-N 3.04Å; T783-A785 VanDerWaalsContact C-N 3.35Å; A785-L787 PolarHBondContact O-N 3.09Å; A785-F788 WeakPolarHBondContact O-CB 3.11Å; A785-F788 PolarHBondContact O-N 3.21Å; A785-F788 VanDerWaalsContact O-N 3.15Å; A785-D789 PolarHBondContact O-N 2.79Å
786	K	80.9	Confident	77.6	Confident	125 Å²	125	69.7 Å²	69.7	54%	0.543	35%	0.347	S	S	.	.	H	α-helix	trans	-58.2	-44.6	175.4	-72.8	176.9	-178.7	178.4	0	112.4	Q782 T783 F788 D789 L790	Q782-K786 WeakPolarHBondContact O-CG 3.07Å; Q782-K786 PolarHBondContact O-N 3.06Å; T783-K786 PolarHBondContact O-N 3.46Å; K786-F788 VanDerWaalsContact C-N 3.33Å; K786-D789 PolarHBondContact O-N 2.99Å; K786-L790 WeakPolarHBondContact O-CB 3.35Å; K786-L790 WeakPolarHBondContact O-CG 3.39Å; K786-L790 PolarHBondContact O-N 3.21Å
787	L	79.3	Confident	76.9	Confident	20 Å²	20	73.3 Å²	73.3	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-39.6	176.6	-85.7	170.3	0	0	0	112	T783 F784 A785 C791 V890 T893 L894	T783-L787 HydrophobicContact CG2-CD1 4.22Å; T783-L787 WeakPolarHBondContact O-CB 3.49Å; T783-L787 WeakPolarHBondContact O-CG 3.21Å; T783-L787 PolarHBondContact O-N 3.5Å; F784-L787 PolarHBondContact O-N 2.8Å; A785-L787 PolarHBondContact O-N 3.09Å; L787-C791 WeakPolarHBondContact O-CB 3.46Å; L787-C791 PolarHBondContact O-N 3.2Å; L787-C791 PolarHBondContact O-SG 3.19Å; L787-V890 HydrophobicContact CD2-CB 4.36Å; L787-V890 HydrophobicContact CD2-CG1 4.3Å; L787-V890 HydrophobicContact CD2-CG2 3.97Å; L787-T893 WeakPolarHBondContact CD2-OG1 3.44Å; L787-L894 HydrophobicContact CD1-CD2 4.37Å
788	F	80.5	Confident	76.2	Confident	68 Å²	68	68.4 Å²	68.4	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-43.7	176.1	-176.2	-89.9	0	0	0	111.4	F784 A785 K786 C791 S792 L803 N805	F784-F788 VanDerWaalsContact O-CB 3.26Å; F784-F788 WeakPolarHBondContact O-CB 3.38Å; F784-F788 PolarHBondContact O-N 3.22Å; A785-F788 WeakPolarHBondContact O-CB 3.11Å; A785-F788 PolarHBondContact O-N 3.21Å; A785-F788 VanDerWaalsContact O-N 3.15Å; K786-F788 VanDerWaalsContact C-N 3.33Å; F788-C791 PolarHBondContact O-N 3.05Å; F788-S792 WeakPolarHBondContact O-CB 3.18Å; F788-S792 PolarHBondContact O-N 3.03Å; F788-S792 PolarHBondContact O-OG 3.17Å; F788-L803 HydrophobicContact CD2-CD1 4.49Å; F788-L803 HydrophobicContact CE1-CB 4.25Å; F788-L803 WeakPolarHBondContact CE1-O 3.46Å; F788-L803 HydrophobicContact CE2-CB 3.65Å; F788-L803 HydrophobicContact CE2-CD1 4.23Å; F788-L803 HydrophobicContact CE2-CG 4.47Å; F788-L803 HydrophobicContact CZ-CB 3.47Å; F788-L803 VanDerWaalsContact CZ-CB 3.47Å; F788-L803 WeakPolarHBondContact CZ-O 3.33Å; F788-N805 VanDerWaalsContact CZ-OD1 3.3Å; F788-N805 WeakPolarHBondContact CZ-OD1 3.13Å
789	D	77.2	Confident	75.5	Confident	91 Å²	91	68.6 Å²	68.6	49%	0.487	36%	0.361	S	S	.	.	H	α-helix	trans	-65.5	-44.6	176.6	-68.1	-22.8	0	0	0	111.3	A785 K786 C791 S792 N793	A785-D789 PolarHBondContact O-N 2.79Å; K786-D789 PolarHBondContact O-N 2.99Å; D789-C791 VanDerWaalsContact C-N 3.34Å; D789-C791 PolarHBondContact O-N 2.91Å; D789-S792 PolarHBondContact O-N 2.89Å; D789-N793 WeakPolarHBondContact O-CB 3.47Å; D789-N793 PolarHBondContact O-N 3.48Å; D789-N793 PolarHBondContact O-ND2 3.05Å
790	L	74.5	Confident	74.8	Confident	54 Å²	54	71.8 Å²	71.8	28%	0.283	38%	0.377	S	S	.	.	H	α-helix	trans	-57	-46	172.8	-84.1	158.8	0	0	0	111.8	K786 N793 L794 I889 T893	K786-L790 WeakPolarHBondContact O-CB 3.35Å; K786-L790 WeakPolarHBondContact O-CG 3.39Å; K786-L790 PolarHBondContact O-N 3.21Å; L790-N793 PolarHBondContact O-N 2.78Å; L790-L794 WeakPolarHBondContact O-CB 3.45Å; L790-L794 WeakPolarHBondContact O-CG 3.39Å; L790-L794 PolarHBondContact O-N 3.41Å; L790-I889 HydrophobicContact CD1-CG2 4.47Å; L790-T893 HydrophobicContact CD1-CG2 4.02Å
791	C	74.9	Confident	74.1	Confident	54 Å²	54	73.1 Å²	73.1	37%	0.365	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-39	177.6	-72.4	0	0	0	0	112.2	L787 F788 D789 R795 L803	L787-C791 WeakPolarHBondContact O-CB 3.46Å; L787-C791 PolarHBondContact O-N 3.2Å; L787-C791 PolarHBondContact O-SG 3.19Å; F788-C791 PolarHBondContact O-N 3.05Å; D789-C791 VanDerWaalsContact C-N 3.34Å; D789-C791 PolarHBondContact O-N 2.91Å; C791-R795 WeakPolarHBondContact O-CB 3.27Å; C791-R795 WeakPolarHBondContact O-CG 3.33Å; C791-R795 PolarHBondContact O-N 3.37Å; C791-L803 HydrophobicContact CB-CD1 4.18Å
792	S	74	Confident	73.2	Confident	12 Å²	12	75 Å²	75	8%	0.084	39%	0.392	C	S	.	.	H	α-helix	trans	-66.2	-43.3	177.2	-64.2	0	0	0	0	111.3	F788 D789 R795 W796	F788-S792 WeakPolarHBondContact O-CB 3.18Å; F788-S792 PolarHBondContact O-N 3.03Å; F788-S792 PolarHBondContact O-OG 3.17Å; D789-S792 PolarHBondContact O-N 2.89Å; S792-R795 WeakPolarHBondContact O-CB 3.3Å; S792-R795 PolarHBondContact O-N 3.22Å; S792-W796 PolarHBondContact O-N 3.48Å
793	N	70.7	Confident	72.2	Confident	94 Å²	94	73.1 Å²	73.1	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-44.6	175.7	-72.4	-25.4	0	0	0	112	D789 L790 R795 W796 L797	D789-N793 WeakPolarHBondContact O-CB 3.47Å; D789-N793 PolarHBondContact O-N 3.48Å; D789-N793 PolarHBondContact O-ND2 3.05Å; L790-N793 PolarHBondContact O-N 2.78Å; N793-R795 VanDerWaalsContact C-N 3.3Å; N793-R795 PolarHBondContact O-N 3.2Å; N793-W796 PolarHBondContact O-N 2.87Å; N793-L797 WeakPolarHBondContact O-CB 3.48Å; N793-L797 WeakPolarHBondContact O-CD1 3.25Å; N793-L797 WeakPolarHBondContact O-CG 3.29Å; N793-L797 PolarHBondContact O-N 2.78Å
794	L	70	Confident	71	Confident	26 Å²	26	76.4 Å²	76.4	14%	0.136	40%	0.404	C	S	.	.	H	α-helix	trans	-60.9	-40.3	175	-78	170.8	0	0	0	111.6	L790 H798 I872	L790-L794 WeakPolarHBondContact O-CB 3.45Å; L790-L794 WeakPolarHBondContact O-CG 3.39Å; L790-L794 PolarHBondContact O-N 3.41Å; L794-H798 PolarHBondContact O-CD2 3.25Å; L794-H798 PolarHBondContact O-N 3.31Å; L794-H798 VanDerWaalsContact O-N 3.12Å; L794-I872 HydrophobicContact CD2-CD1 3.89Å; L794-I872 HydrophobicContact CD2-CG1 4.4Å
795	R	69.5	Low	70	Confident	94 Å²	94	77.7 Å²	77.7	36%	0.355	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-51.5	175	-82.8	173.3	155.4	-137.1	4.2	111.4	C791 S792 N793 L797 H798 G799 L800 P801 L803	C791-R795 WeakPolarHBondContact O-CB 3.27Å; C791-R795 WeakPolarHBondContact O-CG 3.33Å; C791-R795 PolarHBondContact O-N 3.37Å; S792-R795 WeakPolarHBondContact O-CB 3.3Å; S792-R795 PolarHBondContact O-N 3.22Å; N793-R795 VanDerWaalsContact C-N 3.3Å; N793-R795 PolarHBondContact O-N 3.2Å; R795-L797 VanDerWaalsContact C-N 3.3Å; R795-L797 PolarHBondContact O-N 2.63Å; R795-H798 CarbonylContact O-C 3.53Å; R795-H798 PolarHBondContact O-N 3.25Å; R795-H798 VanDerWaalsContact O-N 3.09Å; R795-G799 PolarHBondContact O-N 2.86Å; R795-L800 CarbonylContact C-O 3.34Å; R795-L800 HydrophobicContact CB-CB 3.95Å; R795-L800 HydrophobicContact CG-CB 4.14Å; R795-L800 HydrophobicContact CG-CD1 4.37Å; R795-L800 WeakPolarHBondContact O-CA 3.49Å; R795-L800 WeakPolarHBondContact O-CB 3.31Å; R795-L800 PolarHBondContact O-N 2.79Å; R795-P801 PolarHBondContact NH1-O 3.37Å; R795-P801 VanDerWaalsContact NH1-O 3.09Å; R795-L803 VanDerWaalsContact CZ-CD2 3.48Å; R795-L803 VanDerWaalsContact NH1-CD2 3.27Å
796	W	66.9	Low	68.2	Low	160 Å²	160	79 Å²	79	61%	0.606	42%	0.423	S	S	*	.	H	α-helix	trans	-56.5	-44.7	179	-177.9	83.7	0	0	0	111.8	S792 N793 H798 G799 E802	S792-W796 PolarHBondContact O-N 3.48Å; N793-W796 PolarHBondContact O-N 2.87Å; W796-H798 VanDerWaalsContact C-N 3.29Å; W796-H798 PolarHBondContact O-N 2.92Å; W796-G799 PolarHBondContact O-N 2.84Å; W796-E802 HydrophobicContact CB-CG 4.09Å
797	L	63.2	Low	66.2	Low	88 Å²	88	78.7 Å²	78.7	46%	0.461	43%	0.434	S	S	.	.	H	α-helix	trans	-63.7	-30.4	177.8	-78.1	159.2	0	0	0	113.6	N793 R795 G799 I872	N793-L797 WeakPolarHBondContact O-CB 3.48Å; N793-L797 WeakPolarHBondContact O-CD1 3.25Å; N793-L797 WeakPolarHBondContact O-CG 3.29Å; N793-L797 PolarHBondContact O-N 2.78Å; R795-L797 VanDerWaalsContact C-N 3.3Å; R795-L797 PolarHBondContact O-N 2.63Å; L797-G799 VanDerWaalsContact C-N 3.29Å; L797-I872 HydrophobicContact CB-CG2 4.1Å; L797-I872 HydrophobicContact CD1-CD1 3.84Å
798	H	66.2	Low	64.3	Low	42 Å²	42	84.8 Å²	84.8	19%	0.194	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	8.4	173.6	-75.5	-64.8	0	0	0	113.6	L794 R795 W796 L800 W882	L794-H798 PolarHBondContact O-CD2 3.25Å; L794-H798 PolarHBondContact O-N 3.31Å; L794-H798 VanDerWaalsContact O-N 3.12Å; R795-H798 CarbonylContact O-C 3.53Å; R795-H798 PolarHBondContact O-N 3.25Å; R795-H798 VanDerWaalsContact O-N 3.09Å; W796-H798 VanDerWaalsContact C-N 3.29Å; W796-H798 PolarHBondContact O-N 2.92Å; H798-L800 HydrophobicContact CB-CD1 4.29Å; H798-L800 HydrophobicContact CB-CG 4.45Å; H798-L800 PolarHBondContact O-N 3.35Å; H798-W882 AromaticContact CD2-NE1 3.69Å; H798-W882 AromaticContact CE1-NE1 3.71Å; H798-W882 AromaticContact NE2-CD1 3.63Å; H798-W882 AromaticContact NE2-CE2 3.87Å; H798-W882 AromaticContact NE2-NE1 2.9Å; H798-W882 PolarHBondContact NE2-NE1 3.45Å
799	G	66.5	Low	62.3	Low	69 Å²	69	91 Å²	91	71%	0.711	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	17.6	-177.1	0	0	0	0	0	113.7	R795 W796 L797	R795-G799 PolarHBondContact O-N 2.86Å; W796-G799 PolarHBondContact O-N 2.84Å; L797-G799 VanDerWaalsContact C-N 3.29Å
800	L	66.8	Low	60.4	Low	90 Å²	90	92 Å²	92	47%	0.471	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-89.1	147.9	173.8	-66.4	166.2	0	0	0	109.9	R795 H798 E802	R795-L800 CarbonylContact C-O 3.34Å; R795-L800 HydrophobicContact CB-CB 3.95Å; R795-L800 HydrophobicContact CG-CB 4.14Å; R795-L800 HydrophobicContact CG-CD1 4.37Å; R795-L800 WeakPolarHBondContact O-CA 3.49Å; R795-L800 WeakPolarHBondContact O-CB 3.31Å; R795-L800 PolarHBondContact O-N 2.79Å; H798-L800 HydrophobicContact CB-CD1 4.29Å; H798-L800 HydrophobicContact CB-CG 4.45Å; H798-L800 PolarHBondContact O-N 3.35Å; L800-E802 PolarHBondContact O-N 2.92Å
801	P	65.7	Low	58.3	Low	98 Å²	98	98.9 Å²	98.9	64%	0.636	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-61.6	134.6	176.4	22.6	-30.6	0	0	0	111.4	R795	R795-P801 PolarHBondContact NH1-O 3.37Å; R795-P801 VanDerWaalsContact NH1-O 3.09Å
802	E	64.3	Low	56.3	Low	107 Å²	107	108.1 Å²	108.1	50%	0.5	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-54.5	147.2	174.3	-71.6	172.1	-163.3	0	0	111	W796 L800 T804	W796-E802 HydrophobicContact CB-CG 4.09Å; L800-E802 PolarHBondContact O-N 2.92Å; E802-T804 PolarHBondContact O-N 3.42Å; E802-T804 VanDerWaalsContact O-N 3.11Å
803	L	61.2	Low	54.1	Low	62 Å²	62	111.1 Å²	111.1	33%	0.325	60%	0.597	S	S	.	*			trans	-74.6	103.3	171.3	-71.3	159.7	0	0	0	107.3	F788 C791 R795	F788-L803 HydrophobicContact CD2-CD1 4.49Å; F788-L803 HydrophobicContact CE1-CB 4.25Å; F788-L803 WeakPolarHBondContact CE1-O 3.46Å; F788-L803 HydrophobicContact CE2-CB 3.65Å; F788-L803 HydrophobicContact CE2-CD1 4.23Å; F788-L803 HydrophobicContact CE2-CG 4.47Å; F788-L803 HydrophobicContact CZ-CB 3.47Å; F788-L803 VanDerWaalsContact CZ-CB 3.47Å; F788-L803 WeakPolarHBondContact CZ-O 3.33Å; C791-L803 HydrophobicContact CB-CD1 4.18Å; R795-L803 VanDerWaalsContact CZ-CD2 3.48Å; R795-L803 VanDerWaalsContact NH1-CD2 3.27Å
804	T	58.4	Low	52	Low	82 Å²	82	110.8 Å²	110.8	50%	0.503	62%	0.615	S	S	.	*			trans	-85.7	139.6	172.1	59.5	0	0	0	0	109.9	E802 S806	E802-T804 PolarHBondContact O-N 3.42Å; E802-T804 VanDerWaalsContact O-N 3.11Å; T804-S806 PolarHBondContact O-N 3.29Å; T804-S806 PolarHBondContact OG1-O 2.86Å
805	N	57.2	Low	50.2	Low	147 Å²	147	119.1 Å²	119.1	79%	0.786	65%	0.65	S	S	*	*	S	Bend	trans	-66	7.1	175.3	-76	-17.9	0	0	0	114.9	F788	F788-N805 VanDerWaalsContact CZ-OD1 3.3Å; F788-N805 WeakPolarHBondContact CZ-OD1 3.13Å
806	S	45	Very low	48.2	Very low	76 Å²	76	122 Å²	122	53%	0.531	67%	0.671	S	S	.	*	S	Bend	trans	-120.2	140.2	-176.2	66.3	0	0	0	0	112.3	T804 I808	T804-S806 PolarHBondContact O-N 3.29Å; T804-S806 PolarHBondContact OG1-O 2.86Å; S806-I808 PolarHBondContact O-N 3.3Å
807	P	39.2	Very low	46.2	Very low	119 Å²	119	119.8 Å²	119.8	77%	0.773	68%	0.675	S	S	*	*			trans	-66.5	118.1	179.6	25.8	-31.9	0	0	0	109.6	K809	P807-K809 PolarHBondContact O-N 3Å
808	I	39.3	Very low	44.5	Very low	147 Å²	147	123 Å²	123	75%	0.754	69%	0.693	S	S	*	*			trans	-56.6	105	176.4	-61.3	167.4	0	0	0	108.3	S806 S810	S806-I808 PolarHBondContact O-N 3.3Å; I808-S810 PolarHBondContact O-N 3.45Å
809	K	37.7	Very low	42.5	Very low	198 Å²	198	129 Å²	129	86%	0.861	72%	0.721	S	S	*	*			trans	-64.7	115.5	170.7	-72.8	-178	179.4	176.7	0	107.9	P807 Q811	P807-K809 PolarHBondContact O-N 3Å; K809-Q811 PolarHBondContact O-N 3.26Å; K809-Q811 VanDerWaalsContact O-N 3.17Å
810	S	36.5	Very low	40.7	Very low	112 Å²	112	131.5 Å²	131.5	78%	0.783	72%	0.722	S	S	*	*			trans	-52.8	115.9	-174.7	-45.4	0	0	0	0	111.9	I808 R812	I808-S810 PolarHBondContact O-N 3.45Å; S810-R812 PolarHBondContact O-N 3.47Å; S810-R812 VanDerWaalsContact O-N 3.1Å
811	Q	32.3	Very low	38.8	Very low	199 Å²	199	133.9 Å²	133.9	93%	0.93	74%	0.736	S	S	*	*			trans	-61.3	108.2	168.7	-88.2	178.3	-30.9	0	0	109.5	K809	K809-Q811 PolarHBondContact O-N 3.26Å; K809-Q811 VanDerWaalsContact O-N 3.17Å
812	R	31.4	Very low	36.9	Very low	249 Å²	249	136.2 Å²	136.2	94%	0.94	74%	0.743	S	S	*	*			trans	-103.7	104.8	168.1	-159.3	-173.5	-101.3	-166.9	-3.5	108.2	S810	S810-R812 PolarHBondContact O-N 3.47Å; S810-R812 VanDerWaalsContact O-N 3.1Å
813	G	27.9	Very low	35.2	Very low	75 Å²	75	143.2 Å²	143.2	77%	0.773	76%	0.764	S	S	*	*			trans	35.1	92	156.7	0	0	0	0	0	119.2
814	G	27.3	Very low	33.5	Very low	86 Å²	86	146.7 Å²	146.7	89%	0.887	79%	0.789	S	S	*	*			trans	-83.4	111.1	162.4	0	0	0	0	0	111.2
815	K	31.4	Very low	31.8	Very low	201 Å²	201	147.3 Å²	147.3	87%	0.874	80%	0.802	S	S	*	*			trans	-79	132	168.7	-81.6	176.5	171.8	178.2	0	110.7
816	I	27.6	Very low	30.5	Very low	156 Å²	156	146.9 Å²	146.9	80%	0.8	80%	0.804	S	S	*	*			trans	25.7	107.2	138.9	-52.5	173.3	0	0	0	117.5
817	V	25.5	Very low	29.7	Very low	113 Å²	113	148.3 Å²	148.3	69%	0.685	81%	0.814	S	S	*	*			trans	14	119.1	134.7	-173.4	0	0	0	0	117.9
818	N	27	Very low	29	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	81%	0.812	S	S	*	*			trans	-170.8	97.1	144	-84.9	-25.1	0	0	0	106.5
819	Q	25.2	Very low	28.5	Very low	168 Å²	168	146.1 Å²	146.1	79%	0.785	81%	0.814	S	S	*	*				38	132.2	99.5	-70.3	-166.3	12.9	0	0	117
820	T	28.8	Very low	27.9	Very low	120 Å²	120	141.9 Å²	141.9	74%	0.736	81%	0.805	S	S	*	*			trans	98.4	103.4	158.5	71.2	0	0	0	0	119.1
821	N	26.5	Very low	27.5	Very low	141 Å²	141	147.7 Å²	147.7	75%	0.754	81%	0.81	S	S	*	*				54.3	124.4	122.6	-63.1	5.6	0	0	0	121.5
822	D	25.5	Very low	27.2	Very low	147 Å²	147	144.8 Å²	144.8	79%	0.786	80%	0.801	S	S	*	*				52.8	101	129.9	-56.9	-31	0	0	0	118.9
823	R	28.6	Very low	27.1	Very low	253 Å²	253	141.2 Å²	141.2	96%	0.955	80%	0.799	S	S	*	*				-161.2	133.5	127.3	-124.9	171.1	174.4	169.7	-2.3	114.2
824	T	24.8	Very low	27.1	Very low	136 Å²	136	143.6 Å²	143.6	83%	0.834	80%	0.799	S	S	*	*			trans	-77.4	147.2	179.4	15.4	0	0	0	0	114.2
825	A	23.9	Very low	27.1	Very low	94 Å²	94	148 Å²	148	78%	0.777	80%	0.796	S	S	*	*			trans	46.2	112.1	141	0	0	0	0	0	122
826	V	30	Very low	26.8	Very low	139 Å²	139	145 Å²	145	84%	0.842	80%	0.795	S	S	*	*			trans	-147.8	127.6	146.7	177.6	0	0	0	0	111.2
827	S	27	Very low	26.7	Very low	106 Å²	106	146.6 Å²	146.6	74%	0.741	80%	0.796	S	S	*	*			trans	40.6	113.6	151.9	-63.1	0	0	0	0	120.8
828	A	24.3	Very low	26.8	Very low	87 Å²	87	147 Å²	147	72%	0.719	80%	0.801	S	S	*	*				69.9	98.5	80.3	0	0	0	0	0	114.3
829	V	29.9	Very low	26.8	Very low	132 Å²	132	147.6 Å²	147.6	80%	0.8	80%	0.804	S	S	*	*			trans	-152	108	130.8	177.7	0	0	0	0	108.2
830	T	25.6	Very low	26.9	Very low	110 Å²	110	147.1 Å²	147.1	68%	0.675	81%	0.806	S	S	*	*			trans	-75.1	121.8	169.3	-39.8	0	0	0	0	109.2
831	R	27.4	Very low	26.9	Very low	234 Å²	234	150.5 Å²	150.5	88%	0.883	81%	0.814	S	S	*	*			trans	-133.8	105.4	154	-80.8	-169.8	178.7	145.6	0.6	109.1
832	N	25.5	Very low	26.7	Very low	138 Å²	138	149.7 Å²	149.7	74%	0.738	81%	0.814	S	S	*	*			trans	-65.9	124.5	175.8	-64	-54.3	0	0	0	110.3
833	L	29.8	Very low	26.7	Very low	173 Å²	173	151.6 Å²	151.6	91%	0.906	82%	0.818	S	S	*	*			trans	-112.5	114.6	148.6	-111.2	87.8	0	0	0	107.7	Q835	L833-Q835 PolarHBondContact O-N 3.12Å
834	T	28	Very low	26.5	Very low	126 Å²	126	146.7 Å²	146.7	77%	0.773	81%	0.809	S	S	*	*			trans	-50.2	114.2	173.8	40.3	0	0	0	0	112.2
835	Q	26	Very low	26.6	Very low	177 Å²	177	149.3 Å²	149.3	83%	0.827	81%	0.812	S	S	*	*				44.3	97.3	106.9	-77.9	-176	3.2	0	0	116.2	L833	L833-Q835 PolarHBondContact O-N 3.12Å
836	T	25.5	Very low	26.8	Very low	139 Å²	139	149.8 Å²	149.8	85%	0.853	81%	0.81	S	S	*	*			trans	-111.8	115.9	144.1	47.8	0	0	0	0	107.5
837	K	25.3	Very low	26.5	Very low	189 Å²	189	150.5 Å²	150.5	82%	0.822	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-68.8	138.2	178.7	-87.4	178.1	170.7	-177.8	0	111
838	P	29.4	Very low	26.6	Very low	121 Å²	121	151.7 Å²	151.7	79%	0.786	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72.6	144.7	169.7	-6.1	23	0	0	0	111.1
839	L	25.7	Very low	26.6	Very low	170 Å²	170	156.8 Å²	156.8	89%	0.89	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-65	134.7	172.5	-92.6	81.4	0	0	0	110.7	E841	L839-E841 PolarHBondContact O-N 2.94Å
840	D	28	Very low	26.3	Very low	157 Å²	157	159 Å²	159	84%	0.84	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-65.9	122.3	170.8	-69.6	-48.5	0	0	0	110.8	V842	D840-V842 PolarHBondContact O-N 3.28Å
841	E	27.6	Very low	26.3	Very low	192 Å²	192	158.5 Å²	158.5	90%	0.897	81%	0.813	S	S	*	*			trans	-67.1	107.6	167.7	-86.2	176.1	148.1	0	0	109.5	L839 Q843	L839-E841 PolarHBondContact O-N 2.94Å; E841-Q843 PolarHBondContact O-N 3.24Å
842	V	23.9	Very low	26.3	Very low	123 Å²	123	155.3 Å²	155.3	75%	0.745	81%	0.813	S	S	*	*			trans	-75.9	111.6	169.6	175.9	0	0	0	0	108.1	D840 I844	D840-V842 PolarHBondContact O-N 3.28Å; V842-I844 PolarHBondContact O-N 2.8Å
843	Q	24.5	Very low	26.3	Very low	187 Å²	187	156 Å²	156	87%	0.874	82%	0.815	S	S	*	*			trans	-62.6	117.3	169.4	-67.6	-176.9	-27.3	0	0	109.4	E841	E841-Q843 PolarHBondContact O-N 3.24Å
844	I	25.5	Very low	26.2	Very low	151 Å²	151	153.5 Å²	153.5	77%	0.774	80%	0.802	S	S	*	*			trans	-100	105.9	171.8	-61	172.4	0	0	0	106.5	V842 S846	V842-I844 PolarHBondContact O-N 2.8Å; I844-S846 PolarHBondContact O-N 3.33Å; I844-S846 VanDerWaalsContact O-N 3.15Å
845	E	25.3	Very low	26.1	Very low	190 Å²	190	157 Å²	157	89%	0.888	81%	0.81	S	S	*	*			trans	-63.8	104.4	168.2	-77.6	176.1	147.6	0	0	108.9	D847	E845-D847 PolarHBondContact O-N 2.79Å
846	S	29.2	Very low	26	Very low	104 Å²	104	156.2 Å²	156.2	73%	0.727	81%	0.806	S	S	*	*			trans	-88.4	98.7	171.4	57.3	0	0	0	0	109.5	I844 D848	I844-S846 PolarHBondContact O-N 3.33Å; I844-S846 VanDerWaalsContact O-N 3.15Å; S846-D848 PolarHBondContact O-N 3.29Å; S846-D848 VanDerWaalsContact O-N 3.11Å
847	D	23.8	Very low	26.1	Very low	154 Å²	154	157.3 Å²	157.3	82%	0.824	81%	0.805	S	S	*	*			trans	-83.6	60.1	177.9	-133.8	3.5	0	0	0	110.5	E845	E845-D847 PolarHBondContact O-N 2.79Å
848	D	27.9	Very low	26	Very low	131 Å²	131	155.9 Å²	155.9	70%	0.701	81%	0.806	S	S	*	*			trans	-111.3	88.5	176.5	-86.9	-28.8	0	0	0	110	S846 F850	S846-D848 PolarHBondContact O-N 3.29Å; S846-D848 VanDerWaalsContact O-N 3.11Å; D848-F850 HydrophobicContact CB-CD2 4.25Å; D848-F850 PolarHBondContact O-N 2.97Å
849	K	25.8	Very low	25.9	Very low	194 Å²	194	154.5 Å²	154.5	84%	0.843	80%	0.797	S	S	*	*			trans	-64	78.7	162.2	-76.1	178.7	177.6	174.1	0	109.5	S851	K849-S851 PolarHBondContact O-N 3.39Å
850	F	23.5	Very low	26.2	Very low	178 Å²	178	154.6 Å²	154.6	78%	0.781	79%	0.793	S	S	*	*			trans	-77.8	106.2	156.4	-89.1	-86.9	0	0	0	107.9	D848 L852	D848-F850 HydrophobicContact CB-CD2 4.25Å; D848-F850 PolarHBondContact O-N 2.97Å; F850-L852 PolarHBondContact O-N 3.06Å
851	S	25.1	Very low	26.5	Very low	101 Å²	101	152.3 Å²	152.3	71%	0.706	78%	0.781	S	S	*	*			trans	-44.5	122.5	170.8	-55.1	0	0	0	0	109.9	K849 I853	K849-S851 PolarHBondContact O-N 3.39Å; S851-I853 VanDerWaalsContact C-N 3.34Å; S851-I853 PolarHBondContact O-N 3.23Å
852	L	27.4	Very low	27.1	Very low	167 Å²	167	147.4 Å²	147.4	87%	0.874	76%	0.763	S	S	*	*			trans	-47.5	98.9	163.5	-90.4	74.2	0	0	0	108.3	F850 D854	F850-L852 PolarHBondContact O-N 3.06Å; L852-D854 PolarHBondContact O-N 2.89Å
853	I	25.4	Very low	27.8	Very low	153 Å²	153	148.9 Å²	148.9	79%	0.785	76%	0.762	S	S	*	*			trans	-84.6	101.7	163.3	-66.1	172.6	0	0	0	105	S851 Q855	S851-I853 VanDerWaalsContact C-N 3.34Å; S851-I853 PolarHBondContact O-N 3.23Å; I853-Q855 PolarHBondContact O-N 2.7Å
854	D	26.7	Very low	28.7	Very low	120 Å²	120	146.9 Å²	146.9	64%	0.642	75%	0.753	S	S	*	*			trans	27.7	84.8	155.6	-69	-39.4	0	0	0	116.8	L852 Q856	L852-D854 PolarHBondContact O-N 2.89Å; D854-Q856 PolarHBondContact O-N 2.8Å
855	Q	26.3	Very low	29.7	Very low	198 Å²	198	143.4 Å²	143.4	93%	0.925	74%	0.742	S	S	*	*			trans	-66.5	75.7	147.4	-70.6	-178.3	-17.4	0	0	108.8	I853	I853-Q855 PolarHBondContact O-N 2.7Å
856	Q	25.2	Very low	30.8	Very low	162 Å²	162	139.9 Å²	139.9	76%	0.757	73%	0.729	S	S	*	*			trans	-126.4	21	172.2	-77.6	-162	-10	0	0	113.5	D854	D854-Q856 PolarHBondContact O-N 2.8Å
857	I	25.8	Very low	32	Very low	161 Å²	161	140.6 Å²	140.6	83%	0.826	72%	0.721	S	S	*	*			trans	-128.6	69.8	175.6	-44.3	176.1	0	0	0	109.4
858	L	23.9	Very low	33.4	Very low	160 Å²	160	135.8 Å²	135.8	84%	0.838	70%	0.695	S	S	*	*			trans	-145.8	110.8	149.3	-158.1	71.3	0	0	0	107.7	E860	L858-E860 PolarHBondContact O-N 3.41Å
859	P	27.4	Very low	34.8	Very low	92 Å²	92	132.1 Å²	132.1	60%	0.597	68%	0.683	S	S	*	*			trans	-58.1	134.3	173.8	-16.7	29.1	0	0	0	109.1	D861	P859-D861 PolarHBondContact O-N 2.71Å
860	E	31.8	Very low	36.3	Very low	172 Å²	172	129.7 Å²	129.7	80%	0.804	68%	0.675	S	S	*	*			trans	-65.1	85.2	168.3	-73.9	-155.1	158.7	0	0	109.8	L858 T862	L858-E860 PolarHBondContact O-N 3.41Å; E860-T862 HydrophobicContact CB-CG2 4.38Å; E860-T862 PolarHBondContact O-N 3.24Å
861	D	34	Very low	38	Very low	109 Å²	109	123.1 Å²	123.1	58%	0.583	65%	0.646	S	S	*	*			trans	-73.9	67.1	170.8	-77.1	-31.5	0	0	0	110.1	P859 Q863	P859-D861 PolarHBondContact O-N 2.71Å; D861-Q863 PolarHBondContact O-N 3.32Å; D861-Q863 VanDerWaalsContact O-N 3.17Å
862	T	40.8	Very low	39.4	Very low	88 Å²	88	119.5 Å²	119.5	54%	0.54	62%	0.618	S	S	.	*	H	α-helix	trans	-62.5	-14.1	170.7	45.7	0	0	0	0	112.4	E860	E860-T862 HydrophobicContact CB-CG2 4.38Å; E860-T862 PolarHBondContact O-N 3.24Å
863	Q	39.5	Very low	41	Very low	155 Å²	155	120.7 Å²	120.7	72%	0.724	62%	0.616	S	S	*	*	H	α-helix	trans	-78.9	-40.6	-175.2	-149.2	159.3	-14	0	0	112.9	D861 S865 N866 E867	D861-Q863 PolarHBondContact O-N 3.32Å; D861-Q863 VanDerWaalsContact O-N 3.17Å; Q863-S865 VanDerWaalsContact C-N 3.31Å; Q863-S865 PolarHBondContact O-N 3.29Å; Q863-N866 PolarHBondContact O-N 3.08Å; Q863-E867 PolarHBondContact O-N 3.28Å
864	E	41.7	Very low	42.5	Very low	144 Å²	144	118.4 Å²	118.4	67%	0.673	61%	0.61	S	S	*	*	H	α-helix	trans	-67	-33.7	177	-71.4	-162.4	154.7	0	0	112.4	N866 E867 L868	E864-N866 VanDerWaalsContact C-N 3.31Å; E864-N866 PolarHBondContact O-N 2.9Å; E864-E867 PolarHBondContact O-N 2.59Å; E864-L868 PolarHBondContact O-N 3.2Å
865	S	47	Very low	44.2	Very low	79 Å²	79	114.3 Å²	114.3	55%	0.552	59%	0.587	S	S	*	*	H	α-helix	trans	-61	-39.5	179.1	-59.4	0	0	0	0	112.1	Q863 A869	Q863-S865 VanDerWaalsContact C-N 3.31Å; Q863-S865 PolarHBondContact O-N 3.29Å; S865-A869 PolarHBondContact O-N 3.07Å
866	N	49.8	Very low	45.9	Very low	115 Å²	115	108.5 Å²	108.5	62%	0.615	57%	0.569	S	S	*	*	H	α-helix	trans	-74	-41.5	179.4	-78.4	-27.9	0	0	0	112.2	Q863 E864 L868 A869 E870	Q863-N866 PolarHBondContact O-N 3.08Å; E864-N866 VanDerWaalsContact C-N 3.31Å; E864-N866 PolarHBondContact O-N 2.9Å; N866-L868 VanDerWaalsContact C-N 3.28Å; N866-L868 PolarHBondContact O-N 3.34Å; N866-A869 PolarHBondContact O-N 3.38Å; N866-E870 PolarHBondContact O-N 3.36Å
867	E	53.5	Low	47.6	Very low	119 Å²	119	103.3 Å²	103.3	56%	0.556	55%	0.549	S	S	*	.	H	α-helix	trans	-63	-35.3	175.7	-80.3	-162.9	179.9	0	0	112.6	Q863 E864 F871	Q863-E867 PolarHBondContact O-N 3.28Å; E864-E867 PolarHBondContact O-N 2.59Å; E867-F871 WeakPolarHBondContact O-CB 2.96Å; E867-F871 PolarHBondContact O-N 3.19Å
868	L	52.9	Low	49.3	Very low	54 Å²	54	102.5 Å²	102.5	28%	0.283	55%	0.547	S	S	.	.	H	α-helix	trans	-66.9	-45.9	176.5	-154.8	92	0	0	0	110.8	E864 N866 E870 F871 I872 I889	E864-L868 PolarHBondContact O-N 3.2Å; N866-L868 VanDerWaalsContact C-N 3.28Å; N866-L868 PolarHBondContact O-N 3.34Å; L868-E870 PolarHBondContact O-N 3.16Å; L868-F871 PolarHBondContact O-N 2.92Å; L868-I872 HydrophobicContact CD2-CD1 4.04Å; L868-I872 HydrophobicContact CG-CD1 4.04Å; L868-I872 WeakPolarHBondContact O-CD1 3.42Å; L868-I872 WeakPolarHBondContact O-CG1 3.31Å; L868-I872 PolarHBondContact O-N 2.8Å; L868-I889 HydrophobicContact CD1-CD1 3.55Å; L868-I889 HydrophobicContact CD1-CG1 4.37Å
869	A	57.3	Low	51.4	Low	53 Å²	53	96.4 Å²	96.4	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-38.8	179.5	0	0	0	0	0	112.7	S865 N866 K873	S865-A869 PolarHBondContact O-N 3.07Å; N866-A869 PolarHBondContact O-N 3.38Å; A869-K873 PolarHBondContact O-N 3.38Å
870	E	58	Low	53.5	Low	144 Å²	144	102.1 Å²	102.1	67%	0.673	53%	0.527	S	S	*	.	H	α-helix	trans	-72.7	-38.1	178.6	-163.2	173.6	-165	0	0	112.3	N866 L868 I872 T874	N866-E870 PolarHBondContact O-N 3.36Å; L868-E870 PolarHBondContact O-N 3.16Å; E870-I872 VanDerWaalsContact C-N 3.34Å; E870-I872 PolarHBondContact O-N 2.7Å; E870-T874 PolarHBondContact O-OG1 3.27Å
871	F	57.9	Low	55.3	Low	39 Å²	39	99.2 Å²	99.2	17%	0.171	52%	0.517	C	S	.	.	H	α-helix	trans	-64.1	-37.4	174.9	-175.9	-91.2	0	0	0	112.6	E867 L868 T874 I875 K885	E867-F871 WeakPolarHBondContact O-CB 2.96Å; E867-F871 PolarHBondContact O-N 3.19Å; L868-F871 PolarHBondContact O-N 2.92Å; F871-T874 PolarHBondContact O-N 3.46Å; F871-T874 PolarHBondContact O-OG1 2.93Å; F871-T874 VanDerWaalsContact O-OG1 3.13Å; F871-I875 HydrophobicContact CD1-CD1 4.26Å; F871-I875 HydrophobicContact CD2-CD1 3.35Å; F871-I875 HydrophobicContact CE1-CD1 4.02Å; F871-I875 HydrophobicContact CE2-CD1 3.05Å; F871-I875 HydrophobicContact CE2-CG1 4.47Å; F871-I875 HydrophobicContact CG-CD1 3.96Å; F871-I875 HydrophobicContact CZ-CD1 3.42Å; F871-I875 VanDerWaalsContact CZ-CD1 3.42Å; F871-I875 HydrophobicContact CZ-CG2 4.44Å; F871-I875 PolarHBondContact O-N 2.85Å; F871-K885 HydrophobicContact CB-CD 4.35Å; F871-K885 HydrophobicContact CD1-CD 3.68Å; F871-K885 HydrophobicContact CD2-CD 3.29Å; F871-K885 HydrophobicContact CE1-CB 3.72Å; F871-K885 HydrophobicContact CE1-CD 3.64Å; F871-K885 HydrophobicContact CE1-CG 4.12Å; F871-K885 HydrophobicContact CE2-CB 3.96Å; F871-K885 HydrophobicContact CE2-CD 3.24Å; F871-K885 HydrophobicContact CE2-CG 4.19Å; F871-K885 HydrophobicContact CG-CD 3.51Å; F871-K885 HydrophobicContact CZ-CB 3.36Å; F871-K885 HydrophobicContact CZ-CD 3.43Å; F871-K885 VanDerWaalsContact CZ-CD 3.43Å; F871-K885 HydrophobicContact CZ-CG 3.95Å
872	I	55.6	Low	57.1	Low	25 Å²	25	97.1 Å²	97.1	13%	0.128	50%	0.501	C	S	.	.	H	α-helix	trans	-71.2	-34.2	-177.4	-70.1	168.1	0	0	0	112	L794 L797 L868 E870 T874	L794-I872 HydrophobicContact CD2-CD1 3.89Å; L794-I872 HydrophobicContact CD2-CG1 4.4Å; L797-I872 HydrophobicContact CB-CG2 4.1Å; L797-I872 HydrophobicContact CD1-CD1 3.84Å; L868-I872 HydrophobicContact CD2-CD1 4.04Å; L868-I872 HydrophobicContact CG-CD1 4.04Å; L868-I872 WeakPolarHBondContact O-CD1 3.42Å; L868-I872 WeakPolarHBondContact O-CG1 3.31Å; L868-I872 PolarHBondContact O-N 2.8Å; E870-I872 VanDerWaalsContact C-N 3.34Å; E870-I872 PolarHBondContact O-N 2.7Å; I872-T874 VanDerWaalsContact C-N 3.27Å; I872-T874 PolarHBondContact O-N 3.3Å
873	K	60.1	Low	58.4	Low	192 Å²	192	98.7 Å²	98.7	84%	0.835	50%	0.5	S	S	*	.	H	α-helix	trans	-69	-24.4	176.8	-76.9	-177.6	179.7	174.6	0	113.5	A869	A869-K873 PolarHBondContact O-N 3.38Å
874	T	58.3	Low	60.1	Low	106 Å²	106	95.9 Å²	95.9	65%	0.65	49%	0.49	S	S	*	.	H	α-helix	trans	-102.5	-22	-167.1	45.1	0	0	0	0	114.2	E870 F871 I872	E870-T874 PolarHBondContact O-OG1 3.27Å; F871-T874 PolarHBondContact O-N 3.46Å; F871-T874 PolarHBondContact O-OG1 2.93Å; F871-T874 VanDerWaalsContact O-OG1 3.13Å; I872-T874 VanDerWaalsContact C-N 3.27Å; I872-T874 PolarHBondContact O-N 3.3Å
875	I	60.7	Low	61.5	Low	33 Å²	33	91.7 Å²	91.7	17%	0.169	47%	0.469	C	S	.	.			trans	-119.6	127.2	-165.2	-67.6	166.6	0	0	0	112.5	F871 S879 L881 W882	F871-I875 HydrophobicContact CD1-CD1 4.26Å; F871-I875 HydrophobicContact CD2-CD1 3.35Å; F871-I875 HydrophobicContact CE1-CD1 4.02Å; F871-I875 HydrophobicContact CE2-CD1 3.05Å; F871-I875 HydrophobicContact CE2-CG1 4.47Å; F871-I875 HydrophobicContact CG-CD1 3.96Å; F871-I875 HydrophobicContact CZ-CD1 3.42Å; F871-I875 VanDerWaalsContact CZ-CD1 3.42Å; F871-I875 HydrophobicContact CZ-CG2 4.44Å; F871-I875 PolarHBondContact O-N 2.85Å; I875-S879 WeakPolarHBondContact CG2-OG 3.44Å; I875-L881 HydrophobicContact CG2-CB 4.47Å; I875-W882 HydrophobicContact CG2-CB 3.93Å
876	S	63.6	Low	62.6	Low	77 Å²	77	89 Å²	89	54%	0.538	45%	0.452	S	S	.	.			trans	-64.1	137.5	174.2	179.3	0	0	0	0	111.4	N878 S879	S876-N878 PolarHBondContact O-N 3.1Å; S876-S879 WeakPolarHBondContact O-CB 3.18Å; S876-S879 PolarHBondContact O-N 2.84Å; S876-S879 PolarHBondContact O-OG 3.31Å
877	P	59.7	Low	63.8	Low	52 Å²	52	87.5 Å²	87.5	34%	0.338	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.6	-178	21.9	-32.3	0	0	0	114.3
878	N	62	Low	65	Low	145 Å²	145	85.4 Å²	85.4	78%	0.775	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	2.6	175.9	-90.3	-25.4	0	0	0	114.6	S876	S876-N878 PolarHBondContact O-N 3.1Å
879	S	68.3	Low	66.1	Low	32 Å²	32	84.7 Å²	84.7	22%	0.224	44%	0.444	C	S	.	.	S	Bend	trans	-75	149.1	177.4	74.4	0	0	0	0	111.7	I875 S876 L881 W882 K883	I875-S879 WeakPolarHBondContact CG2-OG 3.44Å; S876-S879 WeakPolarHBondContact O-CB 3.18Å; S876-S879 PolarHBondContact O-N 2.84Å; S876-S879 PolarHBondContact O-OG 3.31Å; S879-L881 PolarHBondContact O-N 3.39Å; S879-W882 PolarHBondContact O-N 3.48Å; S879-W882 WeakPolarHBondContact OG-CB 3.49Å; S879-W882 PolarHBondContact OG-N 3.19Å; S879-W882 VanDerWaalsContact OG-N 3.1Å; S879-K883 PolarHBondContact O-N 2.99Å
880	R	72.1	Confident	67	Low	211 Å²	211	84.9 Å²	84.9	80%	0.796	44%	0.44	S	S	*	.	H	α-helix	trans	-60.7	-30.1	172.6	-168	163.6	-177.8	152.1	-2.4	112.1	N884	R880-N884 PolarHBondContact O-N 2.93Å; R880-N884 VanDerWaalsContact O-N 3.07Å; R880-N884 PolarHBondContact O-OD1 3.09Å
881	L	69.7	Low	68.1	Low	112 Å²	112	84.1 Å²	84.1	59%	0.586	44%	0.436	S	S	*	.	H	α-helix	trans	-64.6	-42.8	175.9	-68.5	170.9	0	0	0	112.1	I875 S879 N884 K885	I875-L881 HydrophobicContact CG2-CB 4.47Å; S879-L881 PolarHBondContact O-N 3.39Å; L881-N884 PolarHBondContact O-N 3.3Å; L881-K885 PolarHBondContact O-N 2.88Å
882	W	69.9	Low	69.2	Low	65 Å²	65	84.9 Å²	84.9	25%	0.246	45%	0.449	C	S	.	.	H	α-helix	trans	-60.8	-49.1	176.7	-175.1	90.1	0	0	0	111.7	H798 I875 S879 N884 K885 A886	H798-W882 AromaticContact CD2-NE1 3.69Å; H798-W882 AromaticContact CE1-NE1 3.71Å; H798-W882 AromaticContact NE2-CD1 3.63Å; H798-W882 AromaticContact NE2-CE2 3.87Å; H798-W882 AromaticContact NE2-NE1 2.9Å; H798-W882 PolarHBondContact NE2-NE1 3.45Å; I875-W882 HydrophobicContact CG2-CB 3.93Å; S879-W882 PolarHBondContact O-N 3.48Å; S879-W882 WeakPolarHBondContact OG-CB 3.49Å; S879-W882 PolarHBondContact OG-N 3.19Å; S879-W882 VanDerWaalsContact OG-N 3.1Å; W882-N884 VanDerWaalsContact C-N 3.31Å; W882-N884 PolarHBondContact O-N 2.96Å; W882-K885 PolarHBondContact O-N 3.1Å; W882-A886 HydrophobicContact CE3-CB 4.48Å; W882-A886 HydrophobicContact CH2-CB 4.43Å; W882-A886 HydrophobicContact CZ3-CB 4.36Å; W882-A886 WeakPolarHBondContact O-CB 2.82Å; W882-A886 PolarHBondContact O-N 2.85Å
883	K	69.6	Low	70.3	Confident	120 Å²	120	85.4 Å²	85.4	52%	0.522	45%	0.454	S	S	.	.	H	α-helix	trans	-58.1	-44.6	177.4	-71.7	-174.1	178.7	-179.2	0	111.5	S879 K885 A886 C887	S879-K883 PolarHBondContact O-N 2.99Å; K883-K885 PolarHBondContact O-N 2.97Å; K883-A886 PolarHBondContact O-N 3.35Å; K883-C887 WeakPolarHBondContact O-CB 3.42Å; K883-C887 PolarHBondContact O-N 3.28Å; K883-C887 PolarHBondContact O-SG 2.77Å
884	N	75	Confident	71.2	Confident	97 Å²	97	79.5 Å²	79.5	52%	0.519	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-43.6	178.7	-71.6	-2.8	0	0	0	111.9	R880 L881 W882 C887 S888	R880-N884 PolarHBondContact O-N 2.93Å; R880-N884 VanDerWaalsContact O-N 3.07Å; R880-N884 PolarHBondContact O-OD1 3.09Å; L881-N884 PolarHBondContact O-N 3.3Å; W882-N884 VanDerWaalsContact C-N 3.31Å; W882-N884 PolarHBondContact O-N 2.96Å; N884-C887 PolarHBondContact O-N 3.48Å; N884-S888 WeakPolarHBondContact O-CB 3.18Å; N884-S888 PolarHBondContact O-N 3.26Å
885	K	71.3	Confident	72.4	Confident	55 Å²	55	76.5 Å²	76.5	24%	0.239	42%	0.415	C	S	.	.	H	α-helix	trans	-72.3	-38.3	179.5	-161.1	164.2	-173.5	175.9	0	112.5	F871 L881 W882 K883 C887 S888 I889	F871-K885 HydrophobicContact CB-CD 4.35Å; F871-K885 HydrophobicContact CD1-CD 3.68Å; F871-K885 HydrophobicContact CD2-CD 3.29Å; F871-K885 HydrophobicContact CE1-CB 3.72Å; F871-K885 HydrophobicContact CE1-CD 3.64Å; F871-K885 HydrophobicContact CE1-CG 4.12Å; F871-K885 HydrophobicContact CE2-CB 3.96Å; F871-K885 HydrophobicContact CE2-CD 3.24Å; F871-K885 HydrophobicContact CE2-CG 4.19Å; F871-K885 HydrophobicContact CG-CD 3.51Å; F871-K885 HydrophobicContact CZ-CB 3.36Å; F871-K885 HydrophobicContact CZ-CD 3.43Å; F871-K885 VanDerWaalsContact CZ-CD 3.43Å; F871-K885 HydrophobicContact CZ-CG 3.95Å; L881-K885 PolarHBondContact O-N 2.88Å; W882-K885 PolarHBondContact O-N 3.1Å; K883-K885 PolarHBondContact O-N 2.97Å; K885-C887 PolarHBondContact O-N 3.45Å; K885-S888 WeakPolarHBondContact O-CA 3.36Å; K885-S888 VanDerWaalsContact O-CB 3.32Å; K885-S888 WeakPolarHBondContact O-CB 3.05Å; K885-S888 PolarHBondContact O-N 3.34Å; K885-S888 VanDerWaalsContact O-N 3.1Å; K885-I889 WeakPolarHBondContact O-CG1 3.43Å; K885-I889 PolarHBondContact O-N 2.85Å
886	A	70.4	Confident	73.5	Confident	22 Å²	22	79.9 Å²	79.9	18%	0.182	43%	0.43	C	S	.	.	H	α-helix	trans	-59.6	-46	172.2	0	0	0	0	0	111.5	W882 K883 S888 I889 V890	W882-A886 HydrophobicContact CE3-CB 4.48Å; W882-A886 HydrophobicContact CH2-CB 4.43Å; W882-A886 HydrophobicContact CZ3-CB 4.36Å; W882-A886 WeakPolarHBondContact O-CB 2.82Å; W882-A886 PolarHBondContact O-N 2.85Å; K883-A886 PolarHBondContact O-N 3.35Å; A886-S888 VanDerWaalsContact C-N 3.29Å; A886-S888 PolarHBondContact O-N 2.85Å; A886-I889 PolarHBondContact O-N 3.23Å; A886-V890 WeakPolarHBondContact O-CG2 3.36Å; A886-V890 PolarHBondContact O-N 3.05Å
887	C	74.9	Confident	74.4	Confident	85 Å²	85	76.8 Å²	76.8	57%	0.574	41%	0.407	S	S	*	.	H	α-helix	trans	-60.2	-38.6	172.5	-72.6	0	0	0	0	112.1	K883 N884 K885 V890 H891	K883-C887 WeakPolarHBondContact O-CB 3.42Å; K883-C887 PolarHBondContact O-N 3.28Å; K883-C887 PolarHBondContact O-SG 2.77Å; N884-C887 PolarHBondContact O-N 3.48Å; K885-C887 PolarHBondContact O-N 3.45Å; C887-V890 PolarHBondContact O-N 2.83Å; C887-H891 VanDerWaalsContact O-CB 3.3Å; C887-H891 WeakPolarHBondContact O-CB 3.42Å; C887-H891 PolarHBondContact O-N 2.75Å
888	S	77.5	Confident	75.3	Confident	75 Å²	75	78.6 Å²	78.6	52%	0.524	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-40.6	176.8	-163.1	0	0	0	0	112.6	N884 K885 A886 H891 A892	N884-S888 WeakPolarHBondContact O-CB 3.18Å; N884-S888 PolarHBondContact O-N 3.26Å; K885-S888 WeakPolarHBondContact O-CA 3.36Å; K885-S888 VanDerWaalsContact O-CB 3.32Å; K885-S888 WeakPolarHBondContact O-CB 3.05Å; K885-S888 PolarHBondContact O-N 3.34Å; K885-S888 VanDerWaalsContact O-N 3.1Å; A886-S888 VanDerWaalsContact C-N 3.29Å; A886-S888 PolarHBondContact O-N 2.85Å; S888-H891 PolarHBondContact O-N 2.98Å; S888-A892 WeakPolarHBondContact O-CB 3.33Å; S888-A892 PolarHBondContact O-N 3.01Å
889	I	76.1	Confident	76.3	Confident	38 Å²	38	76 Å²	76	20%	0.195	40%	0.4	C	S	.	.	H	α-helix	trans	-66.4	-45.8	177.1	-65.3	158.8	0	0	0	110.3	L790 L868 K885 A886 H891 A892 T893	L790-I889 HydrophobicContact CD1-CG2 4.47Å; L868-I889 HydrophobicContact CD1-CD1 3.55Å; L868-I889 HydrophobicContact CD1-CG1 4.37Å; K885-I889 WeakPolarHBondContact O-CG1 3.43Å; K885-I889 PolarHBondContact O-N 2.85Å; A886-I889 PolarHBondContact O-N 3.23Å; I889-H891 VanDerWaalsContact C-N 3.3Å; I889-H891 PolarHBondContact O-N 3Å; I889-A892 PolarHBondContact O-N 3.38Å; I889-T893 WeakPolarHBondContact O-CG2 3.42Å; I889-T893 PolarHBondContact O-N 2.98Å; I889-T893 PolarHBondContact O-OG1 3.34Å; I889-T893 VanDerWaalsContact O-OG1 3.13Å
890	V	77	Confident	76.9	Confident	58 Å²	58	77.2 Å²	77.2	35%	0.352	40%	0.403	S	S	.	.	H	α-helix	trans	-60	-44.4	176.1	175	0	0	0	0	110.4	L787 A886 C887 T893 L894	L787-V890 HydrophobicContact CD2-CB 4.36Å; L787-V890 HydrophobicContact CD2-CG1 4.3Å; L787-V890 HydrophobicContact CD2-CG2 3.97Å; A886-V890 WeakPolarHBondContact O-CG2 3.36Å; A886-V890 PolarHBondContact O-N 3.05Å; C887-V890 PolarHBondContact O-N 2.83Å; V890-T893 PolarHBondContact O-N 3.22Å; V890-T893 PolarHBondContact O-OG1 3.12Å; V890-L894 HydrophobicContact CG1-CD1 3.9Å; V890-L894 HydrophobicContact CG1-CG 4.46Å; V890-L894 WeakPolarHBondContact O-CB 3.42Å; V890-L894 WeakPolarHBondContact O-CG 3.3Å; V890-L894 PolarHBondContact O-N 3.26Å
891	H	79.5	Confident	77.2	Confident	127 Å²	127	68 Å²	68	59%	0.588	37%	0.37	S	S	*	.	H	α-helix	trans	-61.4	-46.5	176.5	-172.8	-74.6	0	0	0	111.8	C887 S888 I889 T893 L894 S895	C887-H891 VanDerWaalsContact O-CB 3.3Å; C887-H891 WeakPolarHBondContact O-CB 3.42Å; C887-H891 PolarHBondContact O-N 2.75Å; S888-H891 PolarHBondContact O-N 2.98Å; I889-H891 VanDerWaalsContact C-N 3.3Å; I889-H891 PolarHBondContact O-N 3Å; H891-T893 PolarHBondContact O-N 3.25Å; H891-L894 PolarHBondContact O-N 2.81Å; H891-S895 PolarHBondContact CE1-OG 3.3Å; H891-S895 PolarHBondContact ND1-OG 2.95Å; H891-S895 WeakPolarHBondContact O-CB 3.47Å; H891-S895 PolarHBondContact O-N 3.49Å; H891-S895 PolarHBondContact O-OG 2.82Å
892	A	82	Confident	77.5	Confident	55 Å²	55	67.8 Å²	67.8	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-45.1	178.8	0	0	0	0	0	112.1	S888 I889 L894 S895 Q896	S888-A892 WeakPolarHBondContact O-CB 3.33Å; S888-A892 PolarHBondContact O-N 3.01Å; I889-A892 PolarHBondContact O-N 3.38Å; A892-L894 PolarHBondContact O-N 3.47Å; A892-S895 PolarHBondContact O-N 2.97Å; A892-Q896 PolarHBondContact O-N 3.45Å
893	T	79.2	Confident	78	Confident	36 Å²	36	68.6 Å²	68.6	22%	0.221	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-36.7	177.1	55.2	0	0	0	0	113.2	L787 L790 I889 V890 H891 L897	L787-T893 WeakPolarHBondContact CD2-OG1 3.44Å; L790-T893 HydrophobicContact CD1-CG2 4.02Å; I889-T893 WeakPolarHBondContact O-CG2 3.42Å; I889-T893 PolarHBondContact O-N 2.98Å; I889-T893 PolarHBondContact O-OG1 3.34Å; I889-T893 VanDerWaalsContact O-OG1 3.13Å; V890-T893 PolarHBondContact O-N 3.22Å; V890-T893 PolarHBondContact O-OG1 3.12Å; H891-T893 PolarHBondContact O-N 3.25Å; T893-L897 WeakPolarHBondContact O-CB 3.48Å; T893-L897 PolarHBondContact O-N 2.97Å
894	L	79.5	Confident	78.3	Confident	68 Å²	68	65.2 Å²	65.2	36%	0.356	37%	0.367	S	S	.	.	H	α-helix	trans	-72.5	-34.8	174.8	-71.6	173.5	0	0	0	112.3	L787 V890 H891 A892 L897 L898	L787-L894 HydrophobicContact CD1-CD2 4.37Å; V890-L894 HydrophobicContact CG1-CD1 3.9Å; V890-L894 HydrophobicContact CG1-CG 4.46Å; V890-L894 WeakPolarHBondContact O-CB 3.42Å; V890-L894 WeakPolarHBondContact O-CG 3.3Å; V890-L894 PolarHBondContact O-N 3.26Å; H891-L894 PolarHBondContact O-N 2.81Å; A892-L894 PolarHBondContact O-N 3.47Å; L894-L897 HydrophobicContact CD2-CD2 4.23Å; L894-L897 WeakPolarHBondContact O-CB 3.36Å; L894-L897 PolarHBondContact O-N 3.45Å; L894-L898 WeakPolarHBondContact O-CG 3.32Å; L894-L898 PolarHBondContact O-N 3.21Å; L894-L898 VanDerWaalsContact O-N 3.1Å
895	S	82.7	Confident	78.2	Confident	44 Å²	44	64.6 Å²	64.6	31%	0.308	36%	0.358	S	S	.	.	H	α-helix	trans	-63.8	-46.6	172	-74.4	0	0	0	0	111.3	H891 A892 L897 L898 D899	H891-S895 PolarHBondContact CE1-OG 3.3Å; H891-S895 PolarHBondContact ND1-OG 2.95Å; H891-S895 WeakPolarHBondContact O-CB 3.47Å; H891-S895 PolarHBondContact O-N 3.49Å; H891-S895 PolarHBondContact O-OG 2.82Å; A892-S895 PolarHBondContact O-N 2.97Å; S895-L897 VanDerWaalsContact C-N 3.31Å; S895-L897 PolarHBondContact O-N 3.39Å; S895-L898 WeakPolarHBondContact O-CB 3.44Å; S895-L898 PolarHBondContact O-N 3.26Å; S895-D899 PolarHBondContact O-N 3.25Å
896	Q	83.1	Confident	78.3	Confident	104 Å²	104	68.3 Å²	68.3	49%	0.486	38%	0.38	S	S	.	.	H	α-helix	trans	-60.6	-41.2	175.8	-172.6	62.4	41.7	0	0	111.8	A892 L898 D899 D900	A892-Q896 PolarHBondContact O-N 3.45Å; Q896-L898 VanDerWaalsContact C-N 3.28Å; Q896-L898 PolarHBondContact O-N 2.96Å; Q896-D899 PolarHBondContact O-N 3Å; Q896-D900 PolarHBondContact NE2-OD1 3.31Å; Q896-D900 WeakPolarHBondContact O-CB 3.48Å; Q896-D900 VanDerWaalsContact O-CG 3.24Å; Q896-D900 PolarHBondContact O-N 3.33Å
897	L	82.9	Confident	78.2	Confident	11 Å²	11	73.8 Å²	73.8	6%	0.058	41%	0.407	C	S	.	.	H	α-helix	trans	-55.8	-44.5	173.6	167.5	74.6	0	0	0	111.5	L779 L780 T783 T893 L894 S895 L901	L779-L897 HydrophobicContact CB-CD1 3.74Å; L780-L897 HydrophobicContact CD1-CD2 3.9Å; T783-L897 HydrophobicContact CG2-CB 4.03Å; T783-L897 HydrophobicContact CG2-CD2 4.11Å; T783-L897 HydrophobicContact CG2-CG 4.42Å; T783-L897 VanDerWaalsContact OG1-CD1 3.27Å; T783-L897 WeakPolarHBondContact OG1-CD1 3.5Å; T893-L897 WeakPolarHBondContact O-CB 3.48Å; T893-L897 PolarHBondContact O-N 2.97Å; L894-L897 HydrophobicContact CD2-CD2 4.23Å; L894-L897 WeakPolarHBondContact O-CB 3.36Å; L894-L897 PolarHBondContact O-N 3.45Å; S895-L897 VanDerWaalsContact C-N 3.31Å; S895-L897 PolarHBondContact O-N 3.39Å; L897-L901 HydrophobicContact CD1-CD1 4.17Å; L897-L901 HydrophobicContact CG-CD1 4.2Å; L897-L901 VanDerWaalsContact O-CB 3.26Å; L897-L901 WeakPolarHBondContact O-CB 3.43Å; L897-L901 PolarHBondContact O-N 3.14Å
898	L	78.9	Confident	77.5	Confident	90 Å²	90	73.6 Å²	73.6	47%	0.471	40%	0.399	S	S	.	.	H	α-helix	trans	-65.5	-42.9	179.8	-74.8	168.4	0	0	0	111.3	L894 S895 Q896 L901 F902	L894-L898 WeakPolarHBondContact O-CG 3.32Å; L894-L898 PolarHBondContact O-N 3.21Å; L894-L898 VanDerWaalsContact O-N 3.1Å; S895-L898 WeakPolarHBondContact O-CB 3.44Å; S895-L898 PolarHBondContact O-N 3.26Å; Q896-L898 VanDerWaalsContact C-N 3.28Å; Q896-L898 PolarHBondContact O-N 2.96Å; L898-L901 WeakPolarHBondContact O-CB 3.41Å; L898-L901 PolarHBondContact O-N 3.36Å; L898-F902 HydrophobicContact CB-CD2 4.48Å; L898-F902 HydrophobicContact CB-CE2 4.34Å; L898-F902 WeakPolarHBondContact O-CD2 3.41Å; L898-F902 WeakPolarHBondContact O-CG 3.49Å; L898-F902 PolarHBondContact O-N 2.79Å
899	D	82.7	Confident	77.5	Confident	92 Å²	92	73.5 Å²	73.5	49%	0.492	39%	0.393	S	S	.	.	H	α-helix	trans	-64.4	-43.1	177.7	-73.3	-21.6	0	0	0	111.9	S895 Q896 L901 F902 T903	S895-D899 PolarHBondContact O-N 3.25Å; Q896-D899 PolarHBondContact O-N 3Å; D899-L901 VanDerWaalsContact C-N 3.33Å; D899-L901 PolarHBondContact O-N 3.49Å; D899-F902 PolarHBondContact O-N 3.34Å; D899-T903 WeakPolarHBondContact O-CB 3.29Å; D899-T903 PolarHBondContact O-N 2.91Å; D899-T903 PolarHBondContact O-OG1 2.91Å
900	D	81.6	Confident	77.5	Confident	56 Å²	56	75.4 Å²	75.4	30%	0.299	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-42.2	174.3	-66.8	-12.4	0	0	0	110.9	L779 Q896 T903 C904	L779-D900 HydrophobicContact CD2-CB 4.36Å; Q896-D900 PolarHBondContact NE2-OD1 3.31Å; Q896-D900 WeakPolarHBondContact O-CB 3.48Å; Q896-D900 VanDerWaalsContact O-CG 3.24Å; Q896-D900 PolarHBondContact O-N 3.33Å; D900-T903 PolarHBondContact O-N 2.89Å; D900-C904 WeakPolarHBondContact O-CB 3.35Å; D900-C904 PolarHBondContact O-N 3.43Å; D900-C904 PolarHBondContact O-SG 2.92Å; D900-C904 VanDerWaalsContact O-SG 3.36Å
901	L	77	Confident	77.6	Confident	18 Å²	18	76.3 Å²	76.3	9%	0.094	41%	0.406	C	S	.	.	H	α-helix	trans	-60.8	-47.6	175.8	-109.6	161.3	0	0	0	112.1	L779 L897 L898 D899 T903 C904 W905	L779-L901 HydrophobicContact CD1-CD2 4.43Å; L779-L901 HydrophobicContact CD1-CG 3.92Å; L897-L901 HydrophobicContact CD1-CD1 4.17Å; L897-L901 HydrophobicContact CG-CD1 4.2Å; L897-L901 VanDerWaalsContact O-CB 3.26Å; L897-L901 WeakPolarHBondContact O-CB 3.43Å; L897-L901 PolarHBondContact O-N 3.14Å; L898-L901 WeakPolarHBondContact O-CB 3.41Å; L898-L901 PolarHBondContact O-N 3.36Å; D899-L901 VanDerWaalsContact C-N 3.33Å; D899-L901 PolarHBondContact O-N 3.49Å; L901-T903 VanDerWaalsContact C-N 3.33Å; L901-C904 PolarHBondContact O-N 3.35Å; L901-W905 HydrophobicContact CD2-CD2 3.74Å; L901-W905 HydrophobicContact CD2-CE3 4.24Å; L901-W905 HydrophobicContact CD2-CG 4.34Å; L901-W905 HydrophobicContact CD2-CH2 3.79Å; L901-W905 HydrophobicContact CD2-CZ2 3.23Å; L901-W905 HydrophobicContact CD2-CZ3 4.25Å; L901-W905 VanDerWaalsContact O-CB 3.22Å; L901-W905 WeakPolarHBondContact O-CB 3.41Å; L901-W905 PolarHBondContact O-N 2.78Å
902	F	77.6	Confident	77.5	Confident	107 Å²	107	73.4 Å²	73.4	47%	0.469	40%	0.395	S	S	.	.	H	α-helix	trans	-64.1	-39.9	178	-77.8	-58.5	0	0	0	111.6	L898 D899 W905 N906	L898-F902 HydrophobicContact CB-CD2 4.48Å; L898-F902 HydrophobicContact CB-CE2 4.34Å; L898-F902 WeakPolarHBondContact O-CD2 3.41Å; L898-F902 WeakPolarHBondContact O-CG 3.49Å; L898-F902 PolarHBondContact O-N 2.79Å; D899-F902 PolarHBondContact O-N 3.34Å; F902-W905 PolarHBondContact O-N 2.98Å; F902-N906 WeakPolarHBondContact O-CB 3.45Å; F902-N906 PolarHBondContact O-N 3.06Å; F902-N906 PolarHBondContact O-ND2 2.79Å; F902-N906 VanDerWaalsContact O-ND2 3.12Å
903	T	79.4	Confident	77.2	Confident	83 Å²	83	74.5 Å²	74.5	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-51.9	177.2	-49.6	0	0	0	0	110.4	D899 D900 L901 W905 N906 D907	D899-T903 WeakPolarHBondContact O-CB 3.29Å; D899-T903 PolarHBondContact O-N 2.91Å; D899-T903 PolarHBondContact O-OG1 2.91Å; D900-T903 PolarHBondContact O-N 2.89Å; L901-T903 VanDerWaalsContact C-N 3.33Å; T903-W905 VanDerWaalsContact C-N 3.33Å; T903-W905 PolarHBondContact O-N 3.26Å; T903-N906 PolarHBondContact O-N 3.45Å; T903-D907 PolarHBondContact O-N 2.99Å
904	C	75.8	Confident	77	Confident	48 Å²	48	77.1 Å²	77.1	32%	0.324	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-33.6	178.1	-67.2	0	0	0	0	113.3	I775 D900 L901 I908	I775-C904 HydrophobicContact CG2-CB 3.79Å; D900-C904 WeakPolarHBondContact O-CB 3.35Å; D900-C904 PolarHBondContact O-N 3.43Å; D900-C904 PolarHBondContact O-SG 2.92Å; D900-C904 VanDerWaalsContact O-SG 3.36Å; L901-C904 PolarHBondContact O-N 3.35Å; C904-I908 WeakPolarHBondContact O-CD1 3.44Å; C904-I908 VanDerWaalsContact O-CG1 3.28Å; C904-I908 WeakPolarHBondContact O-CG1 3.33Å
905	W	73	Confident	76.9	Confident	84 Å²	84	77.7 Å²	77.7	32%	0.318	41%	0.406	S	S	.	.	H	α-helix	trans	-74.7	-27	177.3	-76.3	-5.6	0	0	0	113.7	R772 L901 F902 T903 I908	R772-W905 HydrophobicContact CB-CG 4.4Å; R772-W905 HydrophobicContact CG-CB 4.5Å; R772-W905 HydrophobicContact CG-CD2 4.5Å; R772-W905 HydrophobicContact CG-CG 3.94Å; R772-W905 PolarHBondContact O-NE1 3.31Å; L901-W905 HydrophobicContact CD2-CD2 3.74Å; L901-W905 HydrophobicContact CD2-CE3 4.24Å; L901-W905 HydrophobicContact CD2-CG 4.34Å; L901-W905 HydrophobicContact CD2-CH2 3.79Å; L901-W905 HydrophobicContact CD2-CZ2 3.23Å; L901-W905 HydrophobicContact CD2-CZ3 4.25Å; L901-W905 VanDerWaalsContact O-CB 3.22Å; L901-W905 WeakPolarHBondContact O-CB 3.41Å; L901-W905 PolarHBondContact O-N 2.78Å; F902-W905 PolarHBondContact O-N 2.98Å; T903-W905 VanDerWaalsContact C-N 3.33Å; T903-W905 PolarHBondContact O-N 3.26Å; W905-I908 VanDerWaalsContact O-OXT 3.06Å
906	N	74.2	Confident	76.4	Confident	133 Å²	133	80.3 Å²	80.3	71%	0.711	41%	0.414	S	S	*	.	H	α-helix	trans	-75.3	-28.3	174.2	-74.7	-26.2	0	0	0	112.1	F902 T903 I908	F902-N906 WeakPolarHBondContact O-CB 3.45Å; F902-N906 PolarHBondContact O-N 3.06Å; F902-N906 PolarHBondContact O-ND2 2.79Å; F902-N906 VanDerWaalsContact O-ND2 3.12Å; T903-N906 PolarHBondContact O-N 3.45Å; N906-I908 VanDerWaalsContact C-N 3.26Å; N906-I908 PolarHBondContact O-N 3.41Å
907	D	67.7	Low	75.9	Confident	138 Å²	138	78.3 Å²	78.3	74%	0.738	41%	0.408	S	S	*	.			trans	-74.1	-13.5	174.5	-71.4	-21.3	0	0	0	113.5	T903	T903-D907 PolarHBondContact O-N 2.99Å
908	I	59.7	Low	75.2	Confident	80 Å²	80	84.5 Å²	84.5	41%	0.41	44%	0.44	S	S	.	.			trans	-105.4	0	177.2	-48.3	157.1	0	0	0	111.7	T768 R772 I775 C904 W905 N906	T768-I908 HydrophobicContact CG2-CG2 3.84Å; R772-I908 HydrophobicContact CG-CD1 4.06Å; R772-I908 PolarHBondContact NH2-OXT 2.91Å; I775-I908 HydrophobicContact CD1-CD1 3.32Å; I775-I908 HydrophobicContact CD1-CG1 4.23Å; C904-I908 WeakPolarHBondContact O-CD1 3.44Å; C904-I908 VanDerWaalsContact O-CG1 3.28Å; C904-I908 WeakPolarHBondContact O-CG1 3.33Å; W905-I908 VanDerWaalsContact O-OXT 3.06Å; N906-I908 VanDerWaalsContact C-N 3.26Å; N906-I908 PolarHBondContact O-N 3.41Å

Retrieved 908 of 908 residues in 189.3 ms (Link to these results)

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