A0A3Q0KNR9_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,180 aa.

						>A0A3Q0KNR9_SCHMA|A0A3Q0KNR9
MSVLSDTLHAANGNEETVSKADMCPRRLSRVSRLRDMFQTGVVKPIDDTEDGFDIESPVFSAYTCPDFERFSRAFPGSPPMKTLRNHRTTLNKNESTQHSTTSSRSVDGSFSIPESLSPLKSPPTRPPKPRNISLSKSAVLEEVKLKPISSKIAAENTSCNGVTEPVRISSYSITNVGNSTDNQPSIVKVNGSSLNSTTTRNSTPVTIINAGPQQTSKNPVECLSYASITPLYSSNKNEKTTENDVNNAISNDVHSQSCETTIQPSEDLNSQSTHSTCNSSIDHQCTLPNSSDIQDFVLRPEAFHKSPFPEIVCKDKIDDLPVLQHAEPVAVNAEDDDDGLDEKIENTENSFEIVISSSQCNASFSPLITLPVPKGLNVVAVDDDGVHIFEDGNFLYALPGLTDKYSDDSDFYDSREDITNISDLISPSYTAEQVNDEENVKTNIEKVLSVSSSNSPKSITTRKLVNKRSGSSDSLVKQPRVRFSSEPILVFSTHSTTDYNRRNEEIDPLSASAEYELEKHLEDMDMFEIDFRKGVNGLGISIVGSGVDTSSGEQKLSIFIKSLTSGGAAEADGRIQVYDQIVQVDGHSLVGVSQQFAAQVLQNTGEIIHFVIAREKDPPNSRIAKILTEKQQEEDEENNKGEEKAVEKELKWNNNSSDKYQEVVSTQTDNPVNLSGGDSTEALHNLIAVATRSLKEAKQWNKDDDDDNDEEDAIAIDESSIDCDMEYLNVNNNNDANDSSPINSLFQQFRKSSSGGDNVKSLNGYSTDLNYQHSSPRSALKGTATAASTRRRNEAIMEYIRQAVLIQDNVHLPTNLINKTDYTDKSQNSNITTDCLNTVSWALASELHDHRIQLRKFQSRNRNLEQRLTAQEAAADEAIERLCLRCRHLELELKQSQQKCSQLMSPKQQNISNSNNYSLGANNLCNPIYHSSMLNASSYKEDDGVVVSGENPDVVLKKCFGLNDTDESIVSFTNRGSPKASIYGPYSSDDQDKVKVDGSTANSVNLVKDGYSTTVELPLFVRQVEDRTRIVSSGGLAGRRPPTKIVINSPFASLHGPFAASLTEPRVPSVKNPFNSDNNDSCLNKSSNTSQPPRPVPPHSFIFHRSSSNERQASSCQSKSTTNNLVDSKINSTQMTPSRKPVGGYQLPGLSDNSFSSVLRRTNICTDLSKSLNSQECEP
					

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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	29.5	Very low	30	Very low	242 Å²	242	142.3 Å²	142.3	100%	1.192	84%	0.839	S	S	*	*				0	115.9	0	-68.6	-71.3	-85.6	0	0	105.9
2	S	25.4	Very low	30.1	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	85%	0.849	S	S	*	*			cis	-114.9	-157.5	-1.1	59.6	0	0	0	0	110.9
3	V	36.1	Very low	30.1	Very low	122 Å²	122	139.1 Å²	139.1	74%	0.739	84%	0.835	S	S	*	*	S	Bend	trans	60.5	71.2	-177.5	-163.7	0	0	0	0	113.1
4	L	31.3	Very low	30.2	Very low	147 Å²	147	141.1 Å²	141.1	77%	0.77	84%	0.839	S	S	*	*				66.5	97.6	97.3	-63.8	167.1	0	0	0	111
5	S	32.5	Very low	30.2	Very low	112 Å²	112	145 Å²	145	78%	0.783	85%	0.845	S	S	*	*			cis	48.8	92.8	49	-61.1	0	0	0	0	113.6
6	D	28.7	Very low	30.3	Very low	158 Å²	158	147.7 Å²	147.7	85%	0.845	85%	0.847	S	S	*	*			trans	-158.3	160.2	146.2	-127.4	-32.1	0	0	0	113.5
7	T	32.6	Very low	30.3	Very low	130 Å²	130	147.2 Å²	147.2	80%	0.798	85%	0.848	S	S	*	*			trans	63.2	71.4	169.4	-28.4	0	0	0	0	119.1
8	L	25.1	Very low	30.2	Very low	163 Å²	163	146.6 Å²	146.6	85%	0.853	85%	0.847	S	S	*	*			trans	-124.5	76.7	157.5	-161	-178.4	0	0	0	110
9	H	28	Very low	30.1	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.856	84%	0.843	S	S	*	*			trans	-169.5	111.8	167.9	-112.4	51.3	0	0	0	112.7
10	A	29.2	Very low	30.1	Very low	101 Å²	101	148.3 Å²	148.3	84%	0.835	85%	0.848	S	S	*	*			trans	-168.4	147.4	154.8	0	0	0	0	0	111.9
11	A	32.2	Very low	29.9	Very low	99 Å²	99	145 Å²	145	82%	0.818	84%	0.838	S	S	*	*			trans	56.3	74.9	159.9	0	0	0	0	0	119.2
12	N	30.6	Very low	29.8	Very low	178 Å²	178	141.1 Å²	141.1	95%	0.952	82%	0.823	S	S	*	*			trans	-62.6	140.7	136	-84.4	-20.3	0	0	0	108.6
13	G	30	Very low	29.9	Very low	65 Å²	65	144.5 Å²	144.5	67%	0.67	83%	0.829	S	S	*	*			trans	-172.1	109.6	177.3	0	0	0	0	0	115
14	N	32	Very low	29.3	Very low	168 Å²	168	144.5 Å²	144.5	90%	0.898	83%	0.833	S	S	*	*			trans	68.6	102.7	157.7	-51.7	-4.9	0	0	0	117.7
15	E	30.3	Very low	29.4	Very low	199 Å²	199	143.3 Å²	143.3	93%	0.93	83%	0.834	S	S	*	*			trans	-70.6	136.6	150.8	-57.7	176.4	127	0	0	109.4
16	E	31.7	Very low	29.2	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	84%	0.839	S	S	*	*			trans	-141.7	128.4	157	-165.4	163.4	-134.5	0	0	109.8
17	T	30.2	Very low	29.3	Very low	140 Å²	140	154 Å²	154	86%	0.859	85%	0.845	S	S	*	*			trans	-89.6	116.5	-167.4	53.3	0	0	0	0	112.1
18	V	28.9	Very low	29.4	Very low	136 Å²	136	155 Å²	155	82%	0.824	85%	0.845	S	S	*	*			trans	-119.5	145.3	169.6	-176.2	0	0	0	0	110.3
19	S	28	Very low	30.4	Very low	110 Å²	110	150.4 Å²	150.4	77%	0.769	83%	0.826	S	S	*	*			trans	-81.1	155.8	-160.9	45	0	0	0	0	115.6	A21	S19-A21 PolarHBondContact O-N 3.02Å
20	K	29.8	Very low	31.2	Very low	217 Å²	217	149.6 Å²	149.6	94%	0.943	82%	0.816	S	S	*	*			trans	-65.7	105.9	171.7	-68.8	174.2	176.3	175	0	111.8
21	A	26.9	Very low	32.2	Very low	78 Å²	78	148 Å²	148	65%	0.645	80%	0.796	S	S	*	*			trans	-156.9	159.9	153.5	0	0	0	0	0	109.5	S19 M23	S19-A21 PolarHBondContact O-N 3.02Å; A21-M23 PolarHBondContact O-N 2.66Å
22	D	26.3	Very low	32.9	Very low	162 Å²	162	145.1 Å²	145.1	87%	0.866	77%	0.77	S	S	*	*			trans	51.4	54.9	157.7	-56.1	-15.4	0	0	0	119.7
23	M	27.8	Very low	33.8	Very low	176 Å²	176	145.8 Å²	145.8	87%	0.867	76%	0.759	S	S	*	*			trans	-139.2	101.9	149.5	-76	-149.7	81.1	0	0	112.3	A21 P25	A21-M23 PolarHBondContact O-N 2.66Å; M23-P25 WeakPolarHBondContact O-CD 3.23Å
24	C	23.6	Very low	34.8	Very low	122 Å²	122	146.9 Å²	146.9	82%	0.824	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-78.3	118.7	165.5	-73.9	0	0	0	0	110.1	R26	C24-R26 PolarHBondContact O-N 2.83Å
25	P	32.9	Very low	35.9	Very low	123 Å²	123	142.9 Å²	142.9	80%	0.799	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-69.1	119.9	176.3	-16.8	31.6	0	0	0	110.4	M23	M23-P25 WeakPolarHBondContact O-CD 3.23Å
26	R	28.3	Very low	36.8	Very low	237 Å²	237	138.1 Å²	138.1	89%	0.894	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-60.1	146.1	170.9	-74.3	-179.8	172.3	168.5	-2.7	110	C24 L28	C24-R26 PolarHBondContact O-N 2.83Å; R26-L28 PolarHBondContact O-N 2.84Å
27	R	30.3	Very low	37.8	Very low	257 Å²	257	133.6 Å²	133.6	97%	0.97	68%	0.682	S	S	*	*			trans	-56.1	92.7	-169.5	-61.6	168.6	80.2	172.1	4.9	112.7
28	L	36	Very low	38.7	Very low	151 Å²	151	131.3 Å²	131.3	79%	0.791	66%	0.66	S	S	*	*			trans	-74.1	141	161.7	-73.3	169.2	0	0	0	109.3	R26	R26-L28 PolarHBondContact O-N 2.84Å
29	S	45.5	Very low	39.7	Very low	66 Å²	66	129.9 Å²	129.9	46%	0.462	65%	0.645	S	S	.	*			trans	-71.9	151.2	-178.3	60	0	0	0	0	112.1	V31 S32	S29-V31 PolarHBondContact O-N 2.63Å; S29-S32 WeakPolarHBondContact O-CB 3.38Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact OG-OG 2.94Å
30	R	45.8	Very low	40.8	Very low	168 Å²	168	129.3 Å²	129.3	63%	0.634	64%	0.636	S	S	*	*	H	α-helix	trans	-54.3	-35	173.6	-95.8	177.4	152	130.4	-13.2	112	S32 R33 L34 E881	R30-S32 VanDerWaalsContact C-N 3.26Å; R30-S32 PolarHBondContact O-N 2.91Å; R30-R33 PolarHBondContact O-N 3.21Å; R30-L34 PolarHBondContact O-N 2.66Å; R30-L34 VanDerWaalsContact O-N 3.09Å; R30-E881 IonicContact NH2-OE2 2.62Å
31	V	48.8	Very low	41.1	Very low	68 Å²	68	121.7 Å²	121.7	41%	0.412	62%	0.62	S	S	.	*	H	α-helix	trans	-54.9	-37.5	175.3	-175.1	0	0	0	0	112.6	S29 L34 R35	S29-V31 PolarHBondContact O-N 2.63Å; V31-L34 PolarHBondContact O-N 2.7Å; V31-R35 PolarHBondContact O-N 2.77Å
32	S	46.8	Very low	42.1	Very low	39 Å²	39	123.3 Å²	123.3	27%	0.273	62%	0.621	S	S	.	*	H	α-helix	trans	-67.2	-37.3	176.8	-60.9	0	0	0	0	112.5	S29 R30 R35 D36	S29-S32 WeakPolarHBondContact O-CB 3.38Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact OG-OG 2.94Å; R30-S32 VanDerWaalsContact C-N 3.26Å; R30-S32 PolarHBondContact O-N 2.91Å; S32-R35 PolarHBondContact O-N 3.4Å; S32-D36 PolarHBondContact O-N 3.3Å
33	R	49.7	Very low	42.6	Very low	191 Å²	191	119 Å²	119	72%	0.721	60%	0.601	S	S	*	*	H	α-helix	trans	-68.1	-38.3	174.8	-74.1	-176.6	174.5	168.4	-1.2	112.3	R30 D36 M37	R30-R33 PolarHBondContact O-N 3.21Å; R33-D36 PolarHBondContact O-N 3.4Å; R33-M37 WeakPolarHBondContact O-CG 3.45Å; R33-M37 PolarHBondContact O-N 3.43Å
34	L	52	Low	43	Very low	88 Å²	88	119.3 Å²	119.3	46%	0.461	60%	0.597	S	S	.	*	H	α-helix	trans	-63.6	-42	172.5	-83.4	164.4	0	0	0	111.4	R30 V31 M37 F38	R30-L34 PolarHBondContact O-N 2.66Å; R30-L34 VanDerWaalsContact O-N 3.09Å; V31-L34 PolarHBondContact O-N 2.7Å; L34-M37 PolarHBondContact O-N 3.06Å; L34-F38 WeakPolarHBondContact O-CD2 3.35Å; L34-F38 PolarHBondContact O-N 2.76Å; L34-F38 VanDerWaalsContact O-N 3.07Å
35	R	54.3	Low	43.4	Very low	84 Å²	84	117.2 Å²	117.2	32%	0.317	58%	0.582	S	S	.	*	H	α-helix	trans	-57.6	-49.3	172.7	-174.2	177	-75.1	127.9	-2.6	111.1	V31 S32 M37 F38 Q39 A780 L781	V31-R35 PolarHBondContact O-N 2.77Å; S32-R35 PolarHBondContact O-N 3.4Å; R35-M37 VanDerWaalsContact C-N 3.31Å; R35-M37 PolarHBondContact O-N 3Å; R35-F38 PolarHBondContact O-N 2.83Å; R35-Q39 WeakPolarHBondContact O-CB 3.37Å; R35-Q39 PolarHBondContact O-N 3.44Å; R35-A780 HydrophobicContact CG-CB 3.87Å; R35-A780 VanDerWaalsContact CZ-O 3.31Å; R35-A780 PolarHBondContact NE-O 2.91Å; R35-A780 PolarHBondContact NH2-O 2.87Å; R35-L781 PolarHBondContact NH2-O 3.28Å
36	D	48.3	Very low	43.4	Very low	100 Å²	100	119.1 Å²	119.1	54%	0.535	58%	0.584	S	S	.	*	H	α-helix	trans	-59.8	-36.6	176.3	-71.3	-19.6	0	0	0	112.9	S32 R33 Q39 T40	S32-D36 PolarHBondContact O-N 3.3Å; R33-D36 PolarHBondContact O-N 3.4Å; D36-Q39 PolarHBondContact O-N 2.96Å; D36-T40 WeakPolarHBondContact O-CB 3.45Å; D36-T40 WeakPolarHBondContact O-CG2 3.34Å; D36-T40 PolarHBondContact O-N 3.42Å; D36-T40 PolarHBondContact O-OG1 2.97Å
37	M	54.6	Low	43.8	Very low	93 Å²	93	113.8 Å²	113.8	46%	0.458	57%	0.573	S	S	.	*	H	α-helix	trans	-68.1	-34.2	177.2	-74.6	175	62.4	0	0	113.3	R33 L34 R35 T40	R33-M37 WeakPolarHBondContact O-CG 3.45Å; R33-M37 PolarHBondContact O-N 3.43Å; L34-M37 PolarHBondContact O-N 3.06Å; R35-M37 VanDerWaalsContact C-N 3.31Å; R35-M37 PolarHBondContact O-N 3Å; M37-T40 PolarHBondContact O-OG1 2.86Å
38	F	48.1	Very low	43.8	Very low	91 Å²	91	109.1 Å²	109.1	40%	0.399	57%	0.567	S	S	.	*	H	α-helix	trans	-72.5	-42	168.7	-73.7	-66.7	0	0	0	111.5	L34 R35 T40 G41 V43 L781	L34-F38 WeakPolarHBondContact O-CD2 3.35Å; L34-F38 PolarHBondContact O-N 2.76Å; L34-F38 VanDerWaalsContact O-N 3.07Å; R35-F38 PolarHBondContact O-N 2.83Å; F38-T40 VanDerWaalsContact C-N 3.25Å; F38-T40 PolarHBondContact O-N 3.27Å; F38-G41 PolarHBondContact O-N 3.29Å; F38-V43 HydrophobicContact CE1-CG1 4.45Å; F38-L781 HydrophobicContact CD2-CD2 4.28Å; F38-L781 HydrophobicContact CE2-CD2 4.36Å
39	Q	50.8	Low	43.8	Very low	107 Å²	107	107.1 Å²	107.1	50%	0.5	56%	0.562	S	S	.	*	H	α-helix	trans	-63.7	-28.7	179.7	-134.3	80.2	23.8	0	0	113.3	R35 D36 S779	R35-Q39 WeakPolarHBondContact O-CB 3.37Å; R35-Q39 PolarHBondContact O-N 3.44Å; D36-Q39 PolarHBondContact O-N 2.96Å; Q39-S779 PolarHBondContact NE2-OG 3.41Å
40	T	50.4	Low	43	Very low	97 Å²	97	112.9 Å²	112.9	60%	0.595	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	2.1	179.1	48.8	0	0	0	0	114.1	D36 M37 F38 V42	D36-T40 WeakPolarHBondContact O-CB 3.45Å; D36-T40 WeakPolarHBondContact O-CG2 3.34Å; D36-T40 PolarHBondContact O-N 3.42Å; D36-T40 PolarHBondContact O-OG1 2.97Å; M37-T40 PolarHBondContact O-OG1 2.86Å; F38-T40 VanDerWaalsContact C-N 3.25Å; F38-T40 PolarHBondContact O-N 3.27Å; T40-V42 PolarHBondContact O-N 2.78Å
41	G	37.2	Very low	42.4	Very low	58 Å²	58	110.4 Å²	110.4	60%	0.598	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.1	15.4	173	0	0	0	0	0	115.4	F38 V43	F38-G41 PolarHBondContact O-N 3.29Å; G41-V43 VanDerWaalsContact C-N 3.3Å
42	V	47.4	Very low	41.4	Very low	111 Å²	111	110.7 Å²	110.7	67%	0.673	60%	0.597	S	S	*	*	S	Bend	trans	-75.2	-21.8	-178.1	-179.3	0	0	0	0	112	T40	T40-V42 PolarHBondContact O-N 2.78Å
43	V	35.7	Very low	40.6	Very low	72 Å²	72	116.6 Å²	116.6	44%	0.436	62%	0.618	S	S	.	*	S	Bend	trans	-130.6	121.7	173.9	-176.8	0	0	0	0	108.5	F38 G41	F38-V43 HydrophobicContact CE1-CG1 4.45Å; G41-V43 VanDerWaalsContact C-N 3.3Å
44	K	36	Very low	39.6	Very low	183 Å²	183	115.6 Å²	115.6	80%	0.796	63%	0.627	S	S	*	*			trans	-85.3	138.5	167	-74.4	-170.2	171.3	-167.6	0	109.7
45	P	33.8	Very low	38.6	Very low	77 Å²	77	118 Å²	118	50%	0.5	64%	0.64	S	S	.	*			trans	-57.5	153.1	156	-18.4	32.3	0	0	0	110.5
46	I	32.4	Very low	37.5	Very low	163 Å²	163	123.1 Å²	123.1	84%	0.836	67%	0.667	S	S	*	*			trans	-93.3	101.4	153	-61.5	171.1	0	0	0	103.4
47	D	36	Very low	36.6	Very low	126 Å²	126	123.4 Å²	123.4	67%	0.674	68%	0.677	S	S	*	*			trans	-85.2	133.5	168.1	-60.1	-49.3	0	0	0	107	T49	D47-T49 PolarHBondContact O-N 2.83Å
48	D	31.3	Very low	35.8	Very low	158 Å²	158	124.4 Å²	124.4	85%	0.845	69%	0.69	S	S	*	*			trans	-68	116.3	175.7	-65.8	-62.6	0	0	0	109	E50	D48-E50 PolarHBondContact O-N 3.26Å
49	T	34.9	Very low	34.9	Very low	110 Å²	110	126 Å²	126	68%	0.675	71%	0.707	S	S	*	*			trans	-79.4	107.2	-176.2	40.9	0	0	0	0	111.8	D47 D51	D47-T49 PolarHBondContact O-N 2.83Å; T49-D51 PolarHBondContact O-N 3.35Å
50	E	29.6	Very low	33.9	Very low	186 Å²	186	130 Å²	130	87%	0.869	72%	0.723	S	S	*	*			trans	-59.5	62.2	156.3	-66.7	-70.8	163.9	0	0	111.3	D48 G52	D48-E50 PolarHBondContact O-N 3.26Å; E50-G52 VanDerWaalsContact C-N 3.28Å; E50-G52 PolarHBondContact O-N 3Å; E50-G52 VanDerWaalsContact O-N 3.08Å
51	D	32.8	Very low	32.7	Very low	116 Å²	116	129.9 Å²	129.9	62%	0.62	73%	0.726	S	S	*	*			trans	-83.6	70.3	175.4	-89.2	-24.1	0	0	0	110.2	T49 F53	T49-D51 PolarHBondContact O-N 3.35Å; D51-F53 HydrophobicContact CB-CD2 4.25Å; D51-F53 HydrophobicContact CB-CE2 4.33Å; D51-F53 PolarHBondContact O-N 3.36Å; D51-F53 VanDerWaalsContact O-N 3.11Å
52	G	28.5	Very low	32.3	Very low	74 Å²	74	131 Å²	131	76%	0.763	73%	0.73	S	S	*	*			trans	-65.3	102.7	172.2	0	0	0	0	0	112	E50	E50-G52 VanDerWaalsContact C-N 3.28Å; E50-G52 PolarHBondContact O-N 3Å; E50-G52 VanDerWaalsContact O-N 3.08Å
53	F	29.9	Very low	31.4	Very low	163 Å²	163	136.8 Å²	136.8	72%	0.715	74%	0.741	S	S	*	*			trans	-107.7	85.1	177.9	-92.4	-83.1	0	0	0	112.3	D51 I55	D51-F53 HydrophobicContact CB-CD2 4.25Å; D51-F53 HydrophobicContact CB-CE2 4.33Å; D51-F53 PolarHBondContact O-N 3.36Å; D51-F53 VanDerWaalsContact O-N 3.11Å; F53-I55 HydrophobicContact CD1-CD1 4.16Å; F53-I55 PolarHBondContact O-N 2.82Å
54	D	28.3	Very low	31.1	Very low	170 Å²	170	139.5 Å²	139.5	91%	0.909	76%	0.758	S	S	*	*			trans	-67.8	105.5	166.4	-76	-46.3	0	0	0	111
55	I	31.4	Very low	30.7	Very low	140 Å²	140	136.4 Å²	136.4	72%	0.718	76%	0.759	S	S	*	*			trans	-139.1	77.4	170.3	-46.9	-179.8	0	0	0	111	F53	F53-I55 HydrophobicContact CD1-CD1 4.16Å; F53-I55 PolarHBondContact O-N 2.82Å
56	E	30.1	Very low	30.7	Very low	190 Å²	190	138.4 Å²	138.4	89%	0.888	77%	0.772	S	S	*	*			trans	-87	144.9	139.8	-55	-160.1	142.6	0	0	107.1
57	S	29.8	Very low	30.6	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	77%	0.768	S	S	*	*			cis	-160.2	-155.6	31	65.1	0	0	0	0	110.4
58	P	37.9	Very low	30.5	Very low	114 Å²	114	141.9 Å²	141.9	74%	0.74	78%	0.782	S	S	*	*				-118.5	-179.7	-128.5	40.4	-22.5	0	0	0	115.4
59	V	29.1	Very low	30.5	Very low	125 Å²	125	140.8 Å²	140.8	76%	0.758	77%	0.772	S	S	*	*			trans	-174.3	122.6	146.4	135.8	0	0	0	0	112.5
60	F	28.8	Very low	30.1	Very low	191 Å²	191	144.3 Å²	144.3	84%	0.838	77%	0.773	S	S	*	*			trans	54	157.4	151.1	-72.6	-122.9	0	0	0	121.6
61	S	26.6	Very low	30.2	Very low	93 Å²	93	145.1 Å²	145.1	65%	0.65	77%	0.774	S	S	*	*			cis	-172.3	145.9	-32.3	59	0	0	0	0	110.7
62	A	28.3	Very low	30	Very low	83 Å²	83	143.9 Å²	143.9	69%	0.686	77%	0.774	S	S	*	*			trans	59.4	136.7	169.3	0	0	0	0	0	117.4
63	Y	29.3	Very low	30.1	Very low	231 Å²	231	151.9 Å²	151.9	91%	0.906	78%	0.781	S	S	*	*				-161.6	165.7	63.2	-93	-84.3	0	0	0	111.8
64	T	28.7	Very low	30.3	Very low	129 Å²	129	147.8 Å²	147.8	79%	0.791	78%	0.778	S	S	*	*			trans	-130.5	130.7	-168.7	33.2	0	0	0	0	115.4
65	C	27.8	Very low	30.5	Very low	119 Å²	119	149.3 Å²	149.3	80%	0.804	78%	0.776	S	S	*	*			trans	59.6	176.9	149.9	-77.8	0	0	0	0	118.6
66	P	34.2	Very low	30.7	Very low	119 Å²	119	148.1 Å²	148.1	77%	0.773	78%	0.778	S	S	*	*			cis	-129.4	-175.6	3.8	42.9	-26.3	0	0	0	116.6
67	D	29	Very low	30.9	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	77%	0.774	S	S	*	*			trans	-72.9	172.9	-176.4	-49.6	-87.6	0	0	0	117.2
68	F	33.7	Very low	31	Very low	218 Å²	218	142.9 Å²	142.9	96%	0.956	78%	0.775	S	S	*	*			trans	-145.6	152.7	161.5	-115.8	-86	0	0	0	113.7
69	E	31	Very low	30.9	Very low	136 Å²	136	143.4 Å²	143.4	64%	0.636	78%	0.778	S	S	*	*			trans	-96.3	153.2	-164.2	-83.9	-159.2	163.4	0	0	118.4
70	R	27.7	Very low	31.2	Very low	183 Å²	183	142.4 Å²	142.4	69%	0.691	77%	0.774	S	S	*	*			trans	45.7	131.2	137.7	-65.8	-178.3	175.3	121.3	5.5	122.8
71	F	32.4	Very low	31.2	Very low	203 Å²	203	140.7 Å²	140.7	89%	0.89	77%	0.771	S	S	*	*				-163.3	101.1	128.4	-97.4	-77.7	0	0	0	108.6
72	S	27.5	Very low	31.5	Very low	90 Å²	90	145.7 Å²	145.7	63%	0.629	78%	0.78	S	S	*	*				81.8	126.1	72	-71.8	0	0	0	0	117.2
73	R	31.4	Very low	31.4	Very low	243 Å²	243	148 Å²	148	92%	0.917	79%	0.786	S	S	*	*			trans	100.1	145.7	164.8	-58.5	173.5	-173.1	-174.1	3.5	117.9
74	A	33.2	Very low	31.6	Very low	77 Å²	77	144.7 Å²	144.7	64%	0.636	78%	0.784	S	S	*	*			cis	-173.7	146.5	-20.9	0	0	0	0	0	115.4
75	F	31.9	Very low	31.6	Very low	202 Å²	202	149 Å²	149	89%	0.886	79%	0.785	S	S	*	*			trans	80.8	154.6	143.4	-74.9	-41.6	0	0	0	122.9
76	P	37.3	Very low	31.7	Very low	114 Å²	114	149.8 Å²	149.8	74%	0.74	78%	0.782	S	S	*	*			trans	-139.6	-170.7	-131.6	46	-27.4	0	0	0	116.8
77	G	32.6	Very low	31.6	Very low	79 Å²	79	153.8 Å²	153.8	81%	0.814	79%	0.789	S	S	*	*			trans	-165.6	87.5	167.9	0	0	0	0	0	116.2
78	S	33	Very low	31.5	Very low	109 Å²	109	157.7 Å²	157.7	76%	0.762	79%	0.794	S	S	*	*			trans	-90.1	175	168.9	-30.2	0	0	0	0	110.8
79	P	34.9	Very low	31.4	Very low	124 Å²	124	153.4 Å²	153.4	81%	0.805	79%	0.785	S	S	*	*				-148.2	178.8	51.5	39.1	-16.4	0	0	0	117.9
80	P	36.9	Very low	31.2	Very low	105 Å²	105	152.5 Å²	152.5	68%	0.682	79%	0.789	S	S	*	*			trans	-131.1	-170.6	-166.5	41.2	-23.1	0	0	0	116.6
81	M	27.9	Very low	31.4	Very low	155 Å²	155	151.6 Å²	151.6	76%	0.764	80%	0.797	S	S	*	*			trans	72.2	137.5	160.2	-57.4	167.5	67.7	0	0	119.9
82	K	33.2	Very low	31.2	Very low	197 Å²	197	148.6 Å²	148.6	86%	0.857	79%	0.79	S	S	*	*				-175.4	149.3	96.2	-96.5	160.3	-169.6	168.3	0	114.7
83	T	26.9	Very low	31.6	Very low	132 Å²	132	153.5 Å²	153.5	81%	0.81	80%	0.8	S	S	*	*			trans	-86.2	148.6	168.2	45.2	0	0	0	0	111.6
84	L	31.7	Very low	31.8	Very low	162 Å²	162	147.2 Å²	147.2	85%	0.848	79%	0.785	S	S	*	*			trans	-177.7	104	158.2	-98.1	166.4	0	0	0	105.8
85	R	29.9	Very low	31.8	Very low	218 Å²	218	151.6 Å²	151.6	82%	0.823	79%	0.792	S	S	*	*				55.7	101.8	77.9	-173.7	-178.1	-95	-178.6	-5.1	113.4
86	N	29.2	Very low	31.9	Very low	137 Å²	137	147.3 Å²	147.3	73%	0.733	79%	0.787	S	S	*	*			trans	45.9	125.8	155.1	-55.1	1.2	0	0	0	119.1
87	H	33.2	Very low	31.6	Very low	202 Å²	202	146.9 Å²	146.9	94%	0.935	78%	0.783	S	S	*	*				-167.9	153.2	116.5	-102.4	-71.1	0	0	0	113
88	R	26.9	Very low	31.7	Very low	226 Å²	226	151 Å²	151	85%	0.853	78%	0.781	S	S	*	*			trans	-109.3	121.7	-168.9	161.1	-159.1	-176.5	173.6	4.3	111.2
89	T	31.2	Very low	31.8	Very low	127 Å²	127	153.9 Å²	153.9	78%	0.779	78%	0.782	S	S	*	*			trans	179.9	113.2	154.7	36.9	0	0	0	0	109.2
90	T	27.2	Very low	31.7	Very low	117 Å²	117	152.8 Å²	152.8	72%	0.718	78%	0.778	S	S	*	*				61.4	103	76.6	64.7	0	0	0	0	116.8
91	L	31.4	Very low	31.3	Very low	165 Å²	165	153.7 Å²	153.7	86%	0.864	78%	0.781	S	S	*	*			trans	170	115	152.7	-95.7	157.3	0	0	0	106.5
92	N	28.7	Very low	31.5	Very low	139 Å²	139	153.4 Å²	153.4	74%	0.743	79%	0.788	S	S	*	*			cis	84.4	93.3	32.9	-155.7	44.8	0	0	0	114.8
93	K	35.7	Very low	31.4	Very low	193 Å²	193	148.7 Å²	148.7	84%	0.839	78%	0.78	S	S	*	*			trans	166.8	159.9	160.1	-96.2	161	-176.7	-179	0	110.3
94	N	34.5	Very low	31.8	Very low	111 Å²	111	147.4 Å²	147.4	59%	0.594	78%	0.777	S	S	*	*			cis	-174.7	128.2	-45.8	-110.9	45.4	0	0	0	108.1
95	E	32.6	Very low	31.8	Very low	169 Å²	169	150.4 Å²	150.4	79%	0.79	78%	0.777	S	S	*	*			trans	65.7	150.4	143.1	-59.3	169.9	113.4	0	0	123.9
96	S	34.6	Very low	31.8	Very low	112 Å²	112	144.9 Å²	144.9	78%	0.783	77%	0.771	S	S	*	*			trans	87.3	140.2	139.8	166	0	0	0	0	122.1
97	T	32.1	Very low	32.1	Very low	105 Å²	105	144 Å²	144	64%	0.644	77%	0.77	S	S	*	*			cis	-171.3	166.2	-28.4	-34.7	0	0	0	0	109.3
98	Q	34.6	Very low	31.9	Very low	167 Å²	167	141.3 Å²	141.3	78%	0.78	76%	0.763	S	S	*	*			trans	73.6	158.6	155	-66.7	-175.5	33.9	0	0	119.1
99	H	34.1	Very low	32.2	Very low	168 Å²	168	134.7 Å²	134.7	78%	0.778	77%	0.765	S	S	*	*			cis	-171.4	179.6	-37.4	-111.6	-31.1	0	0	0	110.9
100	S	32.5	Very low	32.1	Very low	102 Å²	102	133.6 Å²	133.6	71%	0.713	76%	0.763	S	S	*	*			trans	74.3	136.5	172.2	73.9	0	0	0	0	117.6
101	T	29.1	Very low	32.3	Very low	124 Å²	124	138 Å²	138	76%	0.761	77%	0.772	S	S	*	*			cis	103.4	111.4	9.2	69.1	0	0	0	0	117.3
102	T	32.4	Very low	32.1	Very low	149 Å²	149	134.7 Å²	134.7	91%	0.914	76%	0.763	S	S	*	*			trans	161.1	174.4	143.4	33.3	0	0	0	0	111.2
103	S	30.8	Very low	32.4	Very low	98 Å²	98	135.8 Å²	135.8	69%	0.685	77%	0.767	S	S	*	*				-171.3	132.1	-67.7	-178.5	0	0	0	0	112
104	S	35.3	Very low	32.3	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	76%	0.757	S	S	*	*			trans	69.4	166.4	158.6	87.7	0	0	0	0	117.5
105	R	32.5	Very low	32.1	Very low	225 Å²	225	134.3 Å²	134.3	85%	0.849	77%	0.768	S	S	*	*			cis	-169.2	140.9	-4	-140.2	173.3	152.2	168.2	-8	112.2
106	S	30.2	Very low	32.1	Very low	101 Å²	101	131.4 Å²	131.4	71%	0.706	77%	0.766	S	S	*	*			trans	58.9	177.1	146.1	-118.9	0	0	0	0	118.2
107	V	34.7	Very low	32.1	Very low	118 Å²	118	134.3 Å²	134.3	72%	0.715	77%	0.772	S	S	*	*			cis	-142.3	144	11.2	-172.8	0	0	0	0	111.6
108	D	29.5	Very low	32.1	Very low	147 Å²	147	134.6 Å²	134.6	79%	0.786	78%	0.778	S	S	*	*			trans	1.7	151.5	156.3	-37.9	-29.5	0	0	0	123.8
109	G	32.8	Very low	32.3	Very low	86 Å²	86	131.3 Å²	131.3	89%	0.887	77%	0.771	S	S	*	*			trans	-166.1	98.2	162.2	0	0	0	0	0	113.2
110	S	28.9	Very low	32.1	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	77%	0.774	S	S	*	*			trans	-124.1	140.9	-170.7	61	0	0	0	0	114.3
111	F	30.3	Very low	32.2	Very low	210 Å²	210	135.1 Å²	135.1	92%	0.921	78%	0.78	S	S	*	*			trans	-146.2	163.8	162.5	-115	-87.7	0	0	0	111.7
112	S	28.3	Very low	32.4	Very low	95 Å²	95	134.7 Å²	134.7	66%	0.664	78%	0.781	S	S	*	*			trans	-160	176.8	-161.8	-56.2	0	0	0	0	113.7
113	I	34.5	Very low	32.6	Very low	161 Å²	161	133.4 Å²	133.4	83%	0.826	78%	0.776	S	S	*	*			trans	80.7	139.2	162.3	-55.8	168.2	0	0	0	115.2
114	P	34.9	Very low	32.8	Very low	96 Å²	96	134.9 Å²	134.9	62%	0.623	78%	0.783	S	S	*	*			cis	-140.9	179.9	-23.8	42	-23.4	0	0	0	116.8
115	E	30.1	Very low	32.7	Very low	177 Å²	177	136.6 Å²	136.6	83%	0.827	79%	0.789	S	S	*	*			trans	26.4	124.4	140.4	-60.2	172.8	127.1	0	0	123
116	S	32.4	Very low	32.7	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	79%	0.791	S	S	*	*				156.2	156.3	93.4	60.4	0	0	0	0	115.9
117	L	33.7	Very low	33	Very low	174 Å²	174	137.6 Å²	137.6	91%	0.911	79%	0.792	S	S	*	*			trans	67.6	120.6	164.5	-59.5	178.1	0	0	0	121
118	S	32.3	Very low	33	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	80%	0.796	S	S	*	*			trans	-98.4	-169.8	176.5	60.6	0	0	0	0	110.2
119	P	38.4	Very low	33	Very low	98 Å²	98	140.4 Å²	140.4	64%	0.636	80%	0.8	S	S	*	*			cis	-149.3	155	14.4	37.8	-14.5	0	0	0	121.1
120	L	31	Very low	33.1	Very low	158 Å²	158	142.3 Å²	142.3	83%	0.827	80%	0.797	S	S	*	*			trans	68.3	154.5	147.7	-62.9	164	0	0	0	117.8
121	K	33.6	Very low	33.3	Very low	193 Å²	193	148.7 Å²	148.7	84%	0.839	81%	0.805	S	S	*	*			cis	-152.9	123.5	16	-150	173.4	-172	-177.8	0	112
122	S	33.3	Very low	33.2	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	80%	0.803	S	S	*	*			trans	-154.9	163.9	168.5	57.6	0	0	0	0	111.7
123	P	36.8	Very low	33.3	Very low	122 Å²	122	150 Å²	150	79%	0.792	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.4	165.1	-163.1	-20.4	35.6	0	0	0	116.8
124	P	34.5	Very low	33	Very low	129 Å²	129	147.2 Å²	147.2	84%	0.838	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-94.9	166.5	-152.7	37	-38.3	0	0	0	117.2
125	T	33.8	Very low	32.7	Very low	142 Å²	142	150 Å²	150	87%	0.871	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-95.2	162.1	-175.5	41	0	0	0	0	115.8
126	R	33.2	Very low	32.6	Very low	235 Å²	235	146 Å²	146	89%	0.887	81%	0.807	S	S	*	*			trans	-43	137.2	173	-168.2	-166.3	-151.3	-179.6	11	116.1
127	P	36	Very low	32.6	Very low	111 Å²	111	149.8 Å²	149.8	72%	0.721	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80	159.6	168.1	33.2	-34.6	0	0	0	113.5
128	P	34.2	Very low	32.4	Very low	123 Å²	123	147 Å²	147	80%	0.799	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-95.8	163.4	-164.5	37.1	-37.5	0	0	0	116.4
129	K	29.6	Very low	32.4	Very low	201 Å²	201	145.4 Å²	145.4	87%	0.874	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.6	135.4	167.3	-70.2	-176.3	176.6	-178.1	0	111.8
130	P	35.3	Very low	32	Very low	127 Å²	127	146.5 Å²	146.5	83%	0.825	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-78.7	171.7	160.7	33.1	-32.8	0	0	0	112.1
131	R	32.3	Very low	31.8	Very low	239 Å²	239	146.1 Å²	146.1	90%	0.902	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-99.6	153.6	-168.4	-67.1	175	170.8	132.2	-4.6	113.8
132	N	28.6	Very low	31.7	Very low	165 Å²	165	145.3 Å²	145.3	88%	0.882	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-61.8	142.2	161.1	-71.9	-22.8	0	0	0	111.5
133	I	31.4	Very low	31.3	Very low	167 Å²	167	144.2 Å²	144.2	86%	0.856	78%	0.783	S	S	*	*			trans	-130.3	143	153.9	-64.4	-176.6	0	0	0	107.2
134	S	26.5	Very low	31.1	Very low	103 Å²	103	145 Å²	145	72%	0.72	79%	0.785	S	S	*	*			trans	-98.1	162.8	-166.6	51.6	0	0	0	0	114.2
135	L	29.5	Very low	30.8	Very low	155 Å²	155	144.5 Å²	144.5	81%	0.812	77%	0.77	S	S	*	*			trans	171.3	105.5	138.5	-89.8	157.4	0	0	0	108
136	S	29	Very low	30.6	Very low	91 Å²	91	145.1 Å²	145.1	64%	0.636	77%	0.767	S	S	*	*				69	132.5	96.3	78.3	0	0	0	0	114.6
137	K	32.2	Very low	30.4	Very low	189 Å²	189	143 Å²	143	82%	0.822	76%	0.764	S	S	*	*			cis	-155.1	150.5	11.8	-108.9	153.5	-179.7	178.4	0	108.2
138	S	29.3	Very low	30.1	Very low	114 Å²	114	143 Å²	143	80%	0.797	76%	0.764	S	S	*	*				58.7	137.8	96.2	-141.8	0	0	0	0	114.6
139	A	31.6	Very low	29.9	Very low	77 Å²	77	145.4 Å²	145.4	64%	0.636	77%	0.768	S	S	*	*			cis	-165.1	157.9	33.6	0	0	0	0	0	115.4
140	V	29.8	Very low	29.7	Very low	122 Å²	122	140.8 Å²	140.8	74%	0.739	76%	0.761	S	S	*	*			trans	64.9	108.6	135.6	169.5	0	0	0	0	117.9
141	L	27.7	Very low	29.4	Very low	150 Å²	150	139.9 Å²	139.9	79%	0.785	76%	0.758	S	S	*	*				70.4	149.5	89.3	-68.8	161.5	0	0	0	114
142	E	31.2	Very low	29.1	Very low	176 Å²	176	137.7 Å²	137.7	82%	0.822	76%	0.755	S	S	*	*			cis	-155.8	166.1	22.7	-158.6	165	-138.5	0	0	112.6
143	E	24.1	Very low	29.2	Very low	91 Å²	91	137.7 Å²	137.7	43%	0.425	75%	0.753	S	S	.	*			trans	-99	144.8	176	-48.8	170.1	73.6	0	0	114.7	F1059 A1060	E143-F1059 VanDerWaalsContact OE1-CB 3.23Å; E143-F1059 WeakPolarHBondContact OE1-CB 3.31Å; E143-A1060 PolarHBondContact OE1-N 3Å
144	V	32.3	Very low	29	Very low	137 Å²	137	134.4 Å²	134.4	83%	0.83	75%	0.751	S	S	*	*			trans	-153	118	146.4	-170.7	0	0	0	0	107.3
145	K	29.3	Very low	29	Very low	120 Å²	120	134 Å²	134	52%	0.522	75%	0.754	S	S	.	*			cis	98.7	141.6	33.7	-162.6	172.8	-162	151.9	0	113.1
146	L	29.6	Very low	28.9	Very low	154 Å²	154	135 Å²	135	81%	0.806	75%	0.754	S	S	*	*			trans	78.2	153.2	179	-49.5	176.3	0	0	0	117.1
147	K	29.4	Very low	28.8	Very low	192 Å²	192	137.2 Å²	137.2	84%	0.835	76%	0.759	S	S	*	*			cis	-165.6	169	-47.3	-116.5	-164.8	175.4	-174.9	0	107.3
148	P	29.2	Very low	28.6	Very low	109 Å²	109	134.7 Å²	134.7	71%	0.708	76%	0.759	S	S	*	*			trans	-94	176.5	-158.4	39	-40.6	0	0	0	115.1
149	I	29.1	Very low	28.5	Very low	174 Å²	174	133.8 Å²	133.8	89%	0.892	75%	0.753	S	S	*	*			trans	-159.1	152.1	131	-104.1	153.5	0	0	0	111.2
150	S	26.9	Very low	28.2	Very low	105 Å²	105	134.5 Å²	134.5	73%	0.734	75%	0.753	S	S	*	*			trans	-86.2	149.6	-177.3	177.9	0	0	0	0	112.8
151	S	28.3	Very low	28.1	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	75%	0.754	S	S	*	*				175.3	151.5	114.3	47	0	0	0	0	115.9
152	K	26.6	Very low	28.1	Very low	193 Å²	193	131.9 Å²	131.9	84%	0.839	75%	0.753	S	S	*	*			trans	8.6	134.7	150.2	-59.1	177.3	177	-178.2	0	119.7
153	I	29.6	Very low	28	Very low	166 Å²	166	129.8 Å²	129.8	85%	0.851	75%	0.752	S	S	*	*				-167.6	104	120.8	-96.4	149.3	0	0	0	104.8
154	A	28.6	Very low	28.3	Very low	97 Å²	97	131.1 Å²	131.1	80%	0.802	77%	0.766	S	S	*	*				76.6	138.8	98	0	0	0	0	0	113.1
155	A	26.2	Very low	28	Very low	95 Å²	95	133 Å²	133	79%	0.785	77%	0.766	S	S	*	*			trans	-94.6	154	-172.8	0	0	0	0	0	112.4
156	E	27.3	Very low	28	Very low	175 Å²	175	132 Å²	132	82%	0.818	77%	0.772	S	S	*	*			trans	-173.5	118.9	142.3	-103.4	160.5	-159	0	0	107.1
157	N	25.9	Very low	27.7	Very low	138 Å²	138	130.2 Å²	130.2	74%	0.738	77%	0.767	S	S	*	*				72.2	137.1	91.2	-80.1	-27.2	0	0	0	115
158	T	28.1	Very low	27.7	Very low	136 Å²	136	132.9 Å²	132.9	83%	0.834	77%	0.772	S	S	*	*			trans	63.5	158.7	165.6	58.6	0	0	0	0	118.1
159	S	27.6	Very low	27.4	Very low	96 Å²	96	135 Å²	135	67%	0.671	78%	0.776	S	S	*	*			cis	-166.2	169.1	-33.7	61.2	0	0	0	0	110.1
160	C	25.7	Very low	27.4	Very low	92 Å²	92	131.4 Å²	131.4	62%	0.622	77%	0.766	S	S	*	*			trans	57.2	121.8	148	-71.2	0	0	0	0	122.3
161	N	27.7	Very low	27.3	Very low	143 Å²	143	130.4 Å²	130.4	77%	0.765	76%	0.759	S	S	*	*			trans	59.2	99.2	132.3	-45.4	-18.8	0	0	0	117.9
162	G	28.3	Very low	27.4	Very low	74 Å²	74	135.5 Å²	135.5	76%	0.763	76%	0.763	S	S	*	*			cis	106	-166.7	49.9	0	0	0	0	0	111.8
163	V	28.3	Very low	27.5	Very low	131 Å²	131	130.9 Å²	130.9	79%	0.794	76%	0.755	S	S	*	*			trans	88.8	128.6	166.9	-167.7	0	0	0	0	118.6
164	T	29.5	Very low	27.2	Very low	119 Å²	119	130.7 Å²	130.7	73%	0.73	75%	0.754	S	S	*	*			trans	62.4	106.6	164.5	44.9	0	0	0	0	122.1
165	E	27.1	Very low	27.2	Very low	178 Å²	178	132.5 Å²	132.5	83%	0.832	76%	0.755	S	S	*	*				47	162.6	101.5	-86.9	-167.6	-153.2	0	0	122.8
166	P	29.3	Very low	27.3	Very low	98 Å²	98	134.9 Å²	134.9	64%	0.636	76%	0.755	S	S	*	*			cis	-135.1	164.4	-6.3	25.6	-2.1	0	0	0	117.1
167	V	24.1	Very low	27.3	Very low	116 Å²	116	132.5 Å²	132.5	70%	0.703	75%	0.752	S	S	*	*			trans	35	122.9	138.4	-177.8	0	0	0	0	120.4
168	R	28.6	Very low	27.5	Very low	249 Å²	249	129 Å²	129	94%	0.94	75%	0.749	S	S	*	*				-158.5	149.8	122.4	-109.1	162.4	-154.8	-164.7	4.7	114.1
169	I	23.2	Very low	27.6	Very low	154 Å²	154	129.7 Å²	129.7	79%	0.79	75%	0.747	S	S	*	*			trans	-115.6	132.7	-170.4	-60.5	163.3	0	0	0	110.1
170	S	29.1	Very low	27.8	Very low	98 Å²	98	130 Å²	130	69%	0.685	75%	0.75	S	S	*	*			trans	-170.8	112.1	150.5	48.7	0	0	0	0	107.1
171	S	24.7	Very low	28.2	Very low	84 Å²	84	130.7 Å²	130.7	59%	0.587	75%	0.751	S	S	*	*				71.2	157	53.4	84.7	0	0	0	0	114
172	Y	29.3	Very low	28.5	Very low	213 Å²	213	130.2 Å²	130.2	84%	0.835	75%	0.749	S	S	*	*			trans	89.3	127.1	-175.3	-50.2	-62.2	0	0	0	115.4
173	S	29.8	Very low	28.8	Very low	96 Å²	96	132.6 Å²	132.6	67%	0.671	74%	0.744	S	S	*	*			cis	-161.9	130.5	-15.9	35.8	0	0	0	0	111.6
174	I	24	Very low	29.1	Very low	163 Å²	163	134.3 Å²	134.3	84%	0.836	74%	0.743	S	S	*	*			trans	-77.8	138.7	160.2	-62.5	168.2	0	0	0	108
175	T	28.8	Very low	29.3	Very low	135 Å²	135	133.2 Å²	133.2	83%	0.828	74%	0.738	S	S	*	*			trans	-118.8	122.6	164.7	49.3	0	0	0	0	109.8
176	N	26.3	Very low	29.6	Very low	145 Å²	145	129.9 Å²	129.9	78%	0.775	74%	0.735	S	S	*	*			trans	-141	-174.5	177	-165.7	-1.7	0	0	0	107.7
177	V	27.6	Very low	29.7	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	74%	0.741	S	S	*	*			trans	80.3	130.9	-172.4	-171	0	0	0	0	112.2
178	G	30.7	Very low	29.9	Very low	66 Å²	66	133 Å²	133	68%	0.68	75%	0.745	S	S	*	*			cis	-174.6	-163.2	-1.2	0	0	0	0	0	110
179	N	30.1	Very low	30	Very low	149 Å²	149	131 Å²	131	80%	0.797	74%	0.743	S	S	*	*			cis	-169.1	-175.8	-0.9	-125.2	12.2	0	0	0	109.4
180	S	32.8	Very low	30.4	Very low	104 Å²	104	129.4 Å²	129.4	73%	0.727	74%	0.74	S	S	*	*			trans	81.7	135.8	165.4	-123	0	0	0	0	116.8
181	T	33.1	Very low	30.6	Very low	106 Å²	106	132.5 Å²	132.5	65%	0.65	75%	0.749	S	S	*	*			cis	-160	161.4	-5.3	-8.4	0	0	0	0	111.7
182	D	34.3	Very low	30.9	Very low	133 Å²	133	131.5 Å²	131.5	71%	0.711	75%	0.751	S	S	*	*			trans	66.3	146.2	158.8	-59	-28.5	0	0	0	118.3
183	N	34	Very low	30.8	Very low	123 Å²	123	127.5 Å²	127.5	66%	0.658	76%	0.755	S	S	*	*			cis	-169.3	162.5	-13.5	-107.3	-42.8	0	0	0	107.6
184	Q	34.6	Very low	30.8	Very low	167 Å²	167	127.3 Å²	127.3	78%	0.78	75%	0.753	S	S	*	*			cis	-147.6	173	2.6	-103.1	-67.7	-77	0	0	108.7
185	P	33.6	Very low	30.9	Very low	97 Å²	97	126.6 Å²	126.6	63%	0.63	75%	0.75	S	S	*	*			trans	-118.2	170.5	-167.6	42.1	-32.9	0	0	0	117
186	S	33.6	Very low	31	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	75%	0.751	S	S	*	*			trans	-170.9	132.8	148	-89.4	0	0	0	0	117
187	I	32	Very low	30.9	Very low	151 Å²	151	125.6 Å²	125.6	77%	0.774	75%	0.748	S	S	*	*			trans	54.7	109.7	145.4	-52.1	167.8	0	0	0	117.6
188	V	27.8	Very low	31	Very low	129 Å²	129	125.2 Å²	125.2	78%	0.782	75%	0.746	S	S	*	*			cis	79.5	107.3	36.9	-173	0	0	0	0	116.5
189	K	31.9	Very low	30.7	Very low	207 Å²	207	127.9 Å²	127.9	90%	0.9	75%	0.75	S	S	*	*			trans	-158.6	152	134.5	-118.3	170.1	-174.3	173.5	0	112.9
190	V	30.4	Very low	30.6	Very low	120 Å²	120	126.3 Å²	126.3	73%	0.727	75%	0.746	S	S	*	*			trans	-136	153.2	-173.6	176.1	0	0	0	0	109
191	N	32.8	Very low	30.4	Very low	163 Å²	163	131.9 Å²	131.9	87%	0.872	75%	0.751	S	S	*	*			trans	147.3	137	150.4	-74.5	-16.3	0	0	0	110.4
192	G	31.1	Very low	30.1	Very low	62 Å²	62	133.1 Å²	133.1	64%	0.639	75%	0.753	S	S	*	*			cis	153.7	143.8	-11.2	0	0	0	0	0	113.7
193	S	27.7	Very low	29.9	Very low	130 Å²	130	132.5 Å²	132.5	91%	0.909	76%	0.76	S	S	*	*			trans	68.4	159.9	169.1	82.5	0	0	0	0	117
194	S	29.2	Very low	29.5	Very low	91 Å²	91	133.2 Å²	133.2	64%	0.636	77%	0.768	S	S	*	*			cis	-157.3	141.9	-1.2	119	0	0	0	0	113.3
195	L	27.2	Very low	29.2	Very low	148 Å²	148	130.7 Å²	130.7	78%	0.775	77%	0.767	S	S	*	*			trans	24.7	128.2	138.3	-61.3	159.4	0	0	0	121.1
196	N	29.8	Very low	28.9	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	77%	0.774	S	S	*	*				177.4	176.1	100.2	-91.7	-54.5	0	0	0	114.2
197	S	25.5	Very low	28.6	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	77%	0.77	S	S	*	*			trans	-128.1	-173.2	-161.1	60.5	0	0	0	0	115.3
198	T	28	Very low	28.4	Very low	117 Å²	117	133.3 Å²	133.3	72%	0.718	78%	0.775	S	S	*	*			trans	113.2	107.7	167.1	-48.8	0	0	0	0	112.7
199	T	25.3	Very low	28.2	Very low	122 Å²	122	133.3 Å²	133.3	75%	0.748	77%	0.769	S	S	*	*				85.7	144.5	52.7	-53.2	0	0	0	0	114.4
200	T	28.2	Very low	28.1	Very low	116 Å²	116	131.6 Å²	131.6	71%	0.712	77%	0.77	S	S	*	*			trans	90.8	148.2	175.6	75.9	0	0	0	0	117.5
201	R	28.4	Very low	28	Very low	220 Å²	220	130.7 Å²	130.7	83%	0.83	78%	0.775	S	S	*	*			cis	-160.7	152.3	-19.9	-113.9	174.5	-179.5	172.3	-0.1	112.1
202	N	26.2	Very low	27.8	Very low	132 Å²	132	126.3 Å²	126.3	71%	0.706	77%	0.768	S	S	*	*			trans	-4.7	139.9	162	-42.7	3.3	0	0	0	121.8
203	S	30.1	Very low	27.7	Very low	121 Å²	121	129.9 Å²	129.9	85%	0.846	78%	0.78	S	S	*	*				-171.2	149.6	124.3	55	0	0	0	0	113.9
204	T	26	Very low	27.7	Very low	137 Å²	137	131.7 Å²	131.7	84%	0.84	77%	0.774	S	S	*	*			trans	-146.7	157.2	172.7	50.5	0	0	0	0	110.4
205	P	28.4	Very low	27.6	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	79%	0.788	S	S	*	*			trans	-149.9	140.5	141.9	34.9	-16.7	0	0	0	117.7
206	V	27.9	Very low	27.6	Very low	129 Å²	129	135.1 Å²	135.1	78%	0.782	78%	0.784	S	S	*	*				49.4	107.3	129.9	-173.1	0	0	0	0	118.4
207	T	25.7	Very low	27.6	Very low	108 Å²	108	133.1 Å²	133.1	66%	0.663	78%	0.783	S	S	*	*				76.7	113.5	63.6	-53.5	0	0	0	0	116.5	I209	T207-I209 HydrophobicContact CG2-CD1 4.47Å; T207-I209 HydrophobicContact CG2-CG1 4.2Å
208	I	28	Very low	27.9	Very low	173 Å²	173	137.4 Å²	137.4	89%	0.887	79%	0.788	S	S	*	*			trans	-137.8	150.7	146.4	-64.6	-172.7	0	0	0	107.9
209	I	25.3	Very low	27.9	Very low	129 Å²	129	139.5 Å²	139.5	66%	0.662	80%	0.795	S	S	*	*			trans	-119.3	148.9	-169.5	-59.9	163.8	0	0	0	110.8	T207	T207-I209 HydrophobicContact CG2-CD1 4.47Å; T207-I209 HydrophobicContact CG2-CG1 4.2Å
210	N	29	Very low	28.4	Very low	172 Å²	172	139.1 Å²	139.1	92%	0.92	80%	0.795	S	S	*	*			trans	-146.8	147	148	-103.8	-28.1	0	0	0	109.7
211	A	27.9	Very low	28.3	Very low	100 Å²	100	140 Å²	140	83%	0.826	80%	0.799	S	S	*	*			trans	-143	146.7	-170.7	0	0	0	0	0	113.4
212	G	28.9	Very low	28.1	Very low	71 Å²	71	138 Å²	138	73%	0.732	80%	0.8	S	S	*	*			trans	-146.2	152.1	172.1	0	0	0	0	0	109.9
213	P	30.1	Very low	28.1	Very low	137 Å²	137	137.7 Å²	137.7	89%	0.89	81%	0.807	S	S	*	*			trans	-104.2	166.4	-143	38.4	-36.5	0	0	0	117.5
214	Q	26.2	Very low	27.8	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	81%	0.81	S	S	*	*			trans	-73.8	162.5	-178.7	-54	160.4	-48	0	0	114.7	T216	Q214-T216 HydrophobicContact CB-CG2 4.32Å
215	Q	28.4	Very low	27.9	Very low	198 Å²	198	139 Å²	139	93%	0.925	81%	0.806	S	S	*	*			trans	-132.4	159.9	132.5	-71.8	-158.4	12	0	0	110.1
216	T	25.6	Very low	27.8	Very low	113 Å²	113	143.9 Å²	143.9	69%	0.693	81%	0.811	S	S	*	*			trans	-155.2	124.9	-166	56.8	0	0	0	0	114.8	Q214	Q214-T216 HydrophobicContact CB-CG2 4.32Å
217	S	29.9	Very low	27.8	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	80%	0.795	S	S	*	*			trans	-165.5	153.5	160.2	34	0	0	0	0	108
218	K	32.8	Very low	27.9	Very low	193 Å²	193	140.6 Å²	140.6	84%	0.839	80%	0.801	S	S	*	*			cis	162.9	112.8	-24	-107.8	174.9	178.5	-177.9	0	103.7
219	N	27.9	Very low	27.9	Very low	160 Å²	160	137.4 Å²	137.4	86%	0.856	79%	0.785	S	S	*	*			trans	-61.2	173.3	176.4	-40.2	15.4	0	0	0	111.6
220	P	34.9	Very low	28	Very low	115 Å²	115	136.5 Å²	136.5	75%	0.747	79%	0.786	S	S	*	*			cis	-137.3	173.5	1.4	41.7	-25.3	0	0	0	116.1
221	V	27.6	Very low	28.1	Very low	133 Å²	133	131.8 Å²	131.8	81%	0.806	77%	0.765	S	S	*	*			trans	177.5	164.5	130.4	146.9	0	0	0	0	110.4
222	E	23.9	Very low	28	Very low	179 Å²	179	134.9 Å²	134.9	84%	0.836	77%	0.766	S	S	*	*			trans	-57.5	135	-174.8	-59.5	156.9	148.2	0	0	114.2
223	C	25.6	Very low	28	Very low	126 Å²	126	138.5 Å²	138.5	85%	0.851	76%	0.759	S	S	*	*			trans	-146.7	135.3	161.3	-88.3	0	0	0	0	110.9	S225	C223-S225 PolarHBondContact O-N 3.41Å
224	L	24.1	Very low	27.7	Very low	177 Å²	177	136.9 Å²	136.9	93%	0.927	75%	0.751	S	S	*	*			trans	-83.4	99.1	175.9	-69.5	164.8	0	0	0	109.5
225	S	28.9	Very low	27.8	Very low	107 Å²	107	132.7 Å²	132.7	75%	0.748	74%	0.74	S	S	*	*			trans	-106.5	99.6	178.6	61.1	0	0	0	0	112	C223 A227	C223-S225 PolarHBondContact O-N 3.41Å; S225-A227 PolarHBondContact O-N 2.71Å
226	Y	24.6	Very low	27.7	Very low	219 Å²	219	130.5 Å²	130.5	86%	0.859	74%	0.735	S	S	*	*			trans	-63.8	113.1	168.9	-88	-106	0	0	0	110.1	S228	Y226-S228 PolarHBondContact O-N 2.82Å
227	A	29.2	Very low	27.9	Very low	52 Å²	52	132.5 Å²	132.5	43%	0.43	73%	0.734	S	S	.	*			trans	-96.5	75.7	-179.9	0	0	0	0	0	111.4	S225 I229	S225-A227 PolarHBondContact O-N 2.71Å; A227-I229 HydrophobicContact CB-CG1 4.46Å; A227-I229 PolarHBondContact O-N 2.81Å
228	S	26.4	Very low	27.6	Very low	115 Å²	115	135 Å²	135	80%	0.804	74%	0.738	S	S	*	*			trans	-73.1	65.8	171.2	41.3	0	0	0	0	111.7	Y226 T230	Y226-S228 PolarHBondContact O-N 2.82Å; S228-T230 PolarHBondContact O-N 2.75Å
229	I	29.3	Very low	27.4	Very low	107 Å²	107	132.8 Å²	132.8	55%	0.549	73%	0.731	S	S	.	*			trans	-72.6	117.4	173.8	-61.4	176.1	0	0	0	108.6	A227	A227-I229 HydrophobicContact CB-CG1 4.46Å; A227-I229 PolarHBondContact O-N 2.81Å
230	T	27.1	Very low	27.3	Very low	109 Å²	109	134.6 Å²	134.6	67%	0.669	73%	0.731	S	S	*	*			trans	-57.9	129.3	177.1	40.6	0	0	0	0	111.7	S228 L232	S228-T230 PolarHBondContact O-N 2.75Å; T230-L232 PolarHBondContact O-N 3.45Å; T230-L232 VanDerWaalsContact O-N 3.09Å
231	P	30.1	Very low	27	Very low	74 Å²	74	135 Å²	135	48%	0.481	73%	0.732	S	S	.	*			trans	-69.8	108	169.5	28.2	-31.9	0	0	0	108.8	Y233 F597	P231-Y233 VanDerWaalsContact C-N 3.32Å; P231-Y233 PolarHBondContact O-N 2.83Å; P231-F597 HydrophobicContact CB-CZ 4.49Å
232	L	26.7	Very low	27.1	Very low	165 Å²	165	134.6 Å²	134.6	86%	0.864	73%	0.729	S	S	*	*			trans	-65.3	89	175.6	-78.8	171.3	0	0	0	110.6	T230 S234	T230-L232 PolarHBondContact O-N 3.45Å; T230-L232 VanDerWaalsContact O-N 3.09Å; L232-S234 PolarHBondContact O-N 3.38Å
233	Y	28.6	Very low	27.3	Very low	146 Å²	146	134.5 Å²	134.5	57%	0.573	73%	0.729	S	S	*	*			trans	-72.7	88.5	-179.8	-124.4	-89	0	0	0	110.7	P231 S235	P231-Y233 VanDerWaalsContact C-N 3.32Å; P231-Y233 PolarHBondContact O-N 2.83Å; Y233-S235 PolarHBondContact O-N 2.78Å
234	S	24.7	Very low	27.6	Very low	103 Å²	103	136.6 Å²	136.6	72%	0.72	73%	0.732	S	S	*	*			trans	-74	67.4	177.9	-164.7	0	0	0	0	111.7	L232 N236	L232-S234 PolarHBondContact O-N 3.38Å; S234-N236 VanDerWaalsContact C-N 3.29Å; S234-N236 PolarHBondContact O-N 2.85Å
235	S	28	Very low	28	Very low	81 Å²	81	134.3 Å²	134.3	57%	0.566	72%	0.721	S	S	*	*			trans	-73.7	78.3	174.8	-77.7	0	0	0	0	111.1	Y233 K237	Y233-S235 PolarHBondContact O-N 2.78Å; S235-K237 PolarHBondContact O-N 2.91Å
236	N	25.6	Very low	28.2	Very low	151 Å²	151	134.1 Å²	134.1	81%	0.807	72%	0.715	S	S	*	*			trans	-66.2	76.4	167.8	-89.5	-30.8	0	0	0	111.2	S234	S234-N236 VanDerWaalsContact C-N 3.29Å; S234-N236 PolarHBondContact O-N 2.85Å
237	K	29.4	Very low	28.5	Very low	156 Å²	156	130 Å²	130	68%	0.678	71%	0.708	S	S	*	*			trans	-96.5	102.3	167.5	-77.2	-170.7	173	-171.2	0	110.4	S235 E239	S235-K237 PolarHBondContact O-N 2.91Å; K237-E239 IonicContact NZ-OE2 3.85Å; K237-E239 PolarHBondContact O-N 2.83Å
238	N	25.1	Very low	28.5	Very low	166 Å²	166	134.1 Å²	134.1	89%	0.888	72%	0.723	S	S	*	*			trans	-74.1	74.2	163.1	-77.4	-30.9	0	0	0	110
239	E	27.5	Very low	28.6	Very low	147 Å²	147	133 Å²	133	69%	0.687	72%	0.72	S	S	*	*			trans	-93	104.3	167	-77.2	-177.1	121.1	0	0	109.4	K237	K237-E239 IonicContact NZ-OE2 3.85Å; K237-E239 PolarHBondContact O-N 2.83Å
240	K	26	Very low	28.7	Very low	198 Å²	198	136.2 Å²	136.2	86%	0.861	74%	0.737	S	S	*	*			trans	-101.1	86.2	-177.1	-176.7	-177.2	178.6	179.5	0	109.1
241	T	28	Very low	28.7	Very low	125 Å²	125	135.5 Å²	135.5	77%	0.767	74%	0.736	S	S	*	*			trans	-105.9	111.3	-177.4	-34.3	0	0	0	0	109.6
242	T	29.8	Very low	28.6	Very low	123 Å²	123	138.1 Å²	138.1	76%	0.755	75%	0.746	S	S	*	*			trans	-113.7	118.7	168.5	49.8	0	0	0	0	108.4
243	E	28	Very low	28.7	Very low	177 Å²	177	136.8 Å²	136.8	83%	0.827	74%	0.74	S	S	*	*			trans	-68.4	151.2	171.4	-63	155.2	152.4	0	0	110.5
244	N	32.6	Very low	28.8	Very low	171 Å²	171	135.3 Å²	135.3	91%	0.914	75%	0.746	S	S	*	*			trans	-177.9	155.9	141.6	-101	-58.8	0	0	0	110.5
245	D	31.4	Very low	29.2	Very low	129 Å²	129	139 Å²	139	69%	0.69	75%	0.751	S	S	*	*			trans	-116.4	161.5	-149.5	-113.3	-32.3	0	0	0	116.1
246	V	33.2	Very low	29.3	Very low	103 Å²	103	140.4 Å²	140.4	62%	0.624	76%	0.761	S	S	*	*			trans	49.2	114.4	141.3	173.5	0	0	0	0	118.9
247	N	31	Very low	29.6	Very low	132 Å²	132	142.8 Å²	142.8	71%	0.706	77%	0.767	S	S	*	*				170.8	164.2	88.7	-134.4	-27.7	0	0	0	116.7
248	N	30.4	Very low	29.7	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	77%	0.772	S	S	*	*			trans	68.6	100.6	150.1	-72.6	-39.4	0	0	0	122.6
249	A	27.6	Very low	29.8	Very low	92 Å²	92	139.2 Å²	139.2	76%	0.76	77%	0.773	S	S	*	*			trans	-29	157	147.1	0	0	0	0	0	119.4
250	I	31	Very low	29.9	Very low	174 Å²	174	140.9 Å²	140.9	89%	0.892	78%	0.781	S	S	*	*				-153.5	141.1	125.8	-102.7	153.4	0	0	0	112.3
251	S	26.9	Very low	30.2	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	78%	0.781	S	S	*	*			trans	-38.8	159.6	177.4	-119.5	0	0	0	0	122.1
252	N	28.8	Very low	30.2	Very low	129 Å²	129	137.7 Å²	137.7	69%	0.69	78%	0.779	S	S	*	*			trans	92.7	97.7	139.5	-64.1	0.6	0	0	0	122
253	D	29.8	Very low	30.2	Very low	138 Å²	138	138.6 Å²	138.6	74%	0.738	78%	0.777	S	S	*	*				86.5	133.9	110.4	-83.5	-38.2	0	0	0	124.8
254	V	29.1	Very low	30.2	Very low	114 Å²	114	138.7 Å²	138.7	69%	0.691	78%	0.778	S	S	*	*			trans	93.3	117.2	132.1	159.1	0	0	0	0	122
255	H	34.2	Very low	30.5	Very low	181 Å²	181	136.3 Å²	136.3	84%	0.838	77%	0.772	S	S	*	*			trans	91.1	104.4	148.5	-81.1	20.6	0	0	0	122.2
256	S	29.1	Very low	30.4	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	78%	0.776	S	S	*	*			trans	-59.5	155.3	158.8	-11.8	0	0	0	0	114.4
257	Q	33.2	Very low	30.4	Very low	200 Å²	200	139.4 Å²	139.4	94%	0.935	79%	0.788	S	S	*	*				-166.8	162.5	117.6	-106.1	174.3	15	0	0	111.9
258	S	30.6	Very low	30.4	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	79%	0.793	S	S	*	*			trans	-134.5	159.4	-171.9	54.9	0	0	0	0	112
259	C	28.3	Very low	30.6	Very low	135 Å²	135	141.3 Å²	141.3	91%	0.912	80%	0.797	S	S	*	*			trans	-164	146.2	157.8	-109.5	0	0	0	0	111.5
260	E	29.5	Very low	30.8	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	80%	0.795	S	S	*	*			trans	-99.5	171.7	175.7	-58.9	169.3	95.7	0	0	111.6
261	T	31.8	Very low	30.7	Very low	140 Å²	140	139.4 Å²	139.4	86%	0.859	78%	0.783	S	S	*	*				-168.8	129.6	129.8	-74.7	0	0	0	0	113.2
262	T	28.2	Very low	31	Very low	117 Å²	117	144.5 Å²	144.5	72%	0.718	80%	0.796	S	S	*	*			trans	-55.1	158.3	173.2	-35.2	0	0	0	0	117.2
263	I	28.7	Very low	30.8	Very low	142 Å²	142	143.3 Å²	143.3	73%	0.728	80%	0.798	S	S	*	*				165.5	122.1	123.5	-85.3	163.7	0	0	0	116.4
264	Q	29.2	Very low	30.9	Very low	179 Å²	179	143.5 Å²	143.5	84%	0.836	81%	0.805	S	S	*	*			trans	59.8	148.3	148.1	-70.4	178.1	-25.8	0	0	126
265	P	38.8	Very low	30.8	Very low	121 Å²	121	147 Å²	147	79%	0.786	81%	0.813	S	S	*	*			trans	-121.2	168	174.2	43.7	-32.9	0	0	0	115.7
266	S	28.5	Very low	30.6	Very low	111 Å²	111	144.4 Å²	144.4	78%	0.776	82%	0.815	S	S	*	*			trans	-173.2	161.3	159	53.8	0	0	0	0	116
267	E	34.3	Very low	30.4	Very low	186 Å²	186	145.5 Å²	145.5	87%	0.869	82%	0.817	S	S	*	*			trans	92.4	135.1	156	-47.6	-157.4	150.9	0	0	121.7
268	D	30.1	Very low	30.1	Very low	154 Å²	154	142 Å²	142	82%	0.824	81%	0.813	S	S	*	*			trans	-94.6	177.5	-178.4	-49.4	-95.2	0	0	0	113.5
269	L	35.6	Very low	30	Very low	157 Å²	157	144.6 Å²	144.6	82%	0.822	82%	0.818	S	S	*	*				179.9	126.5	123.5	-97.5	163.3	0	0	0	116.5
270	N	31.1	Very low	30.2	Very low	134 Å²	134	144 Å²	144	72%	0.717	82%	0.816	S	S	*	*			trans	40.1	106.5	145	-81.5	-31.4	0	0	0	124.1
271	S	29	Very low	30.1	Very low	91 Å²	91	140.3 Å²	140.3	64%	0.636	81%	0.81	S	S	*	*				32.3	129.5	106.7	71.8	0	0	0	0	122.1
272	Q	32.7	Very low	30.2	Very low	200 Å²	200	140.9 Å²	140.9	94%	0.935	81%	0.806	S	S	*	*				-167.1	165.4	120.6	-109.6	171.6	51.1	0	0	112.7
273	S	25.9	Very low	30.1	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	81%	0.806	S	S	*	*			trans	-124.2	162.6	-172.6	60.3	0	0	0	0	112.7
274	T	30.8	Very low	30.4	Very low	143 Å²	143	143.9 Å²	143.9	88%	0.877	81%	0.813	S	S	*	*			trans	-171.9	146.2	143	10.1	0	0	0	0	112.5
275	H	27.8	Very low	30.3	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.866	81%	0.812	S	S	*	*			trans	-88.5	153.4	164.3	-69.7	-105.1	0	0	0	110.5
276	S	29.3	Very low	29.5	Very low	126 Å²	126	143.2 Å²	143.2	88%	0.881	81%	0.811	S	S	*	*			trans	-169.4	151.4	133.7	36.7	0	0	0	0	113.5
277	T	25	Very low	29.4	Very low	135 Å²	135	144 Å²	144	83%	0.828	81%	0.811	S	S	*	*			trans	-84.1	154.8	175.8	-11.3	0	0	0	0	111.7
278	C	28.1	Very low	29.2	Very low	125 Å²	125	142.1 Å²	142.1	85%	0.845	81%	0.806	S	S	*	*				-180	152.4	126.4	-94.6	0	0	0	0	113.3
279	N	27.5	Very low	29.2	Very low	167 Å²	167	140.3 Å²	140.3	89%	0.893	80%	0.803	S	S	*	*			trans	-89.9	150.1	168	-64.2	-36.4	0	0	0	110.8
280	S	32.7	Very low	28.6	Very low	122 Å²	122	139.8 Å²	139.8	85%	0.853	80%	0.8	S	S	*	*			trans	-153.2	144.9	144.3	54.1	0	0	0	0	111.3
281	S	28.3	Very low	28.4	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	80%	0.802	S	S	*	*			trans	-99.3	151.9	172	-172.8	0	0	0	0	109.5
282	I	33.1	Very low	28.3	Very low	152 Å²	152	138.4 Å²	138.4	78%	0.779	80%	0.802	S	S	*	*			trans	-155.4	129.6	156.7	-99.7	144.1	0	0	0	108.1
283	D	26.3	Very low	28	Very low	132 Å²	132	135.4 Å²	135.4	71%	0.706	79%	0.792	S	S	*	*			trans	-71.3	159.3	173.5	-49.7	-101.5	0	0	0	111.8
284	H	34.5	Very low	28	Very low	190 Å²	190	136.5 Å²	136.5	88%	0.88	79%	0.788	S	S	*	*				-158.8	111.5	127.3	-93.6	-46.4	0	0	0	113.7
285	Q	26.2	Very low	27.8	Very low	176 Å²	176	137.6 Å²	137.6	82%	0.822	78%	0.783	S	S	*	*			trans	-38.1	175.1	164.1	-129.2	166.3	11.5	0	0	118.8
286	C	23.4	Very low	27.6	Very low	111 Å²	111	134 Å²	134	75%	0.75	77%	0.77	S	S	*	*			trans	81.3	136.1	156.5	-69	0	0	0	0	118
287	T	26.8	Very low	27.5	Very low	127 Å²	127	137.2 Å²	137.2	78%	0.779	77%	0.769	S	S	*	*			cis	-157	160	-9.3	-37	0	0	0	0	110.8
288	L	29.9	Very low	27.5	Very low	147 Å²	147	135.9 Å²	135.9	77%	0.77	76%	0.76	S	S	*	*			trans	-66.3	152.6	160.3	-68.3	162.6	0	0	0	111.8
289	P	29	Very low	27.4	Very low	116 Å²	116	137 Å²	137	75%	0.753	76%	0.757	S	S	*	*				-130.8	156.6	88.6	13.5	9	0	0	0	112.7
290	N	23.2	Very low	27.2	Very low	145 Å²	145	139.9 Å²	139.9	78%	0.775	76%	0.755	S	S	*	*				71.9	144.3	50.3	-88.4	2.7	0	0	0	116
291	S	26.3	Very low	27.1	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	74%	0.742	S	S	*	*			trans	78.1	117.5	170.8	-124.6	0	0	0	0	115
292	S	28	Very low	26.9	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	75%	0.747	S	S	*	*				82.4	143.3	85.5	76.2	0	0	0	0	112.8
293	D	26.1	Very low	26.5	Very low	136 Å²	136	138 Å²	138	73%	0.727	74%	0.738	S	S	*	*			cis	-172.8	165.9	-1.4	-124.4	-41.4	0	0	0	109.2
294	I	25.4	Very low	26.5	Very low	127 Å²	127	139.5 Å²	139.5	65%	0.651	74%	0.739	S	S	*	*			trans	67.5	154.9	146.4	-70.7	164.5	0	0	0	119.5
295	Q	26.3	Very low	26.3	Very low	167 Å²	167	137.1 Å²	137.1	78%	0.78	73%	0.728	S	S	*	*			trans	70	139.5	167.8	-81.5	153.2	55.3	0	0	118.2
296	D	24.7	Very low	26.4	Very low	110 Å²	110	136.3 Å²	136.3	59%	0.588	72%	0.722	S	S	*	*			cis	-167.3	-169	-27.1	-127.6	-54	0	0	0	109.1
297	F	27.7	Very low	26.6	Very low	195 Å²	195	135.6 Å²	135.6	86%	0.855	72%	0.718	S	S	*	*			trans	70.1	87	175.2	-51.7	-76.8	0	0	0	114.1
298	V	24.9	Very low	26.8	Very low	106 Å²	106	134.9 Å²	134.9	64%	0.642	72%	0.715	S	S	*	*			cis	73.9	105.3	30	-174.6	0	0	0	0	114.1
299	L	24.2	Very low	26.7	Very low	148 Å²	148	136.4 Å²	136.4	78%	0.775	72%	0.716	S	S	*	*			trans	72.8	142.9	167.5	-61.6	167.2	0	0	0	116.1
300	R	24.5	Very low	26.6	Very low	228 Å²	228	136.3 Å²	136.3	86%	0.86	72%	0.715	S	S	*	*			cis	-135	165.9	24.3	-85.9	-166	177.2	-164.4	-1.7	115.8
301	P	29.5	Very low	26.6	Very low	87 Å²	87	136.8 Å²	136.8	57%	0.565	71%	0.713	S	S	*	*			trans	-89.8	-164.2	172.7	41.2	-38.3	0	0	0	112.1
302	E	24.5	Very low	26.5	Very low	180 Å²	180	138.7 Å²	138.7	84%	0.841	71%	0.713	S	S	*	*			trans	71.7	154.4	-179.5	-55.7	154.1	-139.7	0	0	112
303	A	25.5	Very low	26.3	Very low	73 Å²	73	139.1 Å²	139.1	60%	0.603	71%	0.712	S	S	*	*			cis	-143.6	155.2	-1.9	0	0	0	0	0	107.9
304	F	25.9	Very low	26.3	Very low	163 Å²	163	138 Å²	138	72%	0.715	71%	0.713	S	S	*	*				41	140.5	92.4	-64.3	-76.9	0	0	0	115.4
305	H	29.9	Very low	26.3	Very low	140 Å²	140	140.5 Å²	140.5	65%	0.648	72%	0.719	S	S	*	*			cis	-153.1	136.8	42.4	-99.9	-49.2	0	0	0	111
306	K	28.8	Very low	26.4	Very low	160 Å²	160	138.2 Å²	138.2	70%	0.696	71%	0.713	S	S	*	*				60.9	137	87.3	-84	-160.2	-161.1	175.2	0	112.6
307	S	28.1	Very low	26.6	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	72%	0.719	S	S	*	*			cis	149.4	-174	28.4	61.2	0	0	0	0	105.6
308	P	30.5	Very low	26.8	Very low	112 Å²	112	138.3 Å²	138.3	73%	0.727	71%	0.713	S	S	*	*			cis	-138.5	166.9	6.7	41.5	-22.4	0	0	0	118.4
309	F	27.3	Very low	27.1	Very low	179 Å²	179	140.2 Å²	140.2	79%	0.785	72%	0.719	S	S	*	*			trans	-55.1	169.8	154.9	-70.7	-102.6	0	0	0	112.1	E311	F309-E311 HydrophobicContact CD1-CB 4.47Å
310	P	27.6	Very low	27.4	Very low	114 Å²	114	141.4 Å²	141.4	74%	0.74	73%	0.727	S	S	*	*				-124.3	118.8	100.7	34.5	-31.3	0	0	0	113.9	I312	P310-I312 HydrophobicContact CB-CG1 4.46Å; P310-I312 PolarHBondContact O-N 2.97Å
311	E	23.3	Very low	27.5	Very low	154 Å²	154	137.5 Å²	137.5	72%	0.72	72%	0.722	S	S	*	*			trans	-66.7	118.4	159.4	174.3	-173.1	-164.3	0	0	108.2	F309 V313	F309-E311 HydrophobicContact CD1-CB 4.47Å; E311-V313 HydrophobicContact CG-CG2 4.05Å
312	I	24.7	Very low	27.5	Very low	148 Å²	148	139.2 Å²	139.2	76%	0.759	73%	0.733	S	S	*	*			trans	-115.4	99.7	172.9	-60.1	-176.2	0	0	0	109.4	P310 C314	P310-I312 HydrophobicContact CB-CG1 4.46Å; P310-I312 PolarHBondContact O-N 2.97Å; I312-C314 PolarHBondContact O-N 3.05Å
313	V	23.5	Very low	27.6	Very low	98 Å²	98	135.4 Å²	135.4	59%	0.594	72%	0.722	S	S	*	*			trans	-79.8	108.6	175.9	177.2	0	0	0	0	110.9	E311	E311-V313 HydrophobicContact CG-CG2 4.05Å
314	C	25	Very low	27.6	Very low	113 Å²	113	137.8 Å²	137.8	76%	0.764	72%	0.724	S	S	*	*			trans	-158.1	115.4	150.2	-88.7	0	0	0	0	107.7	I312	I312-C314 PolarHBondContact O-N 3.05Å
315	K	25.2	Very low	27.6	Very low	179 Å²	179	138.2 Å²	138.2	78%	0.778	73%	0.728	S	S	*	*				56	80.2	68.2	-65.2	-174.7	177.7	174.5	0	114.5
316	D	28.9	Very low	27.6	Very low	120 Å²	120	139.6 Å²	139.6	64%	0.642	74%	0.735	S	S	*	*				169.1	133	109.4	-96	-2.1	0	0	0	113.9
317	K	29.4	Very low	27.5	Very low	163 Å²	163	136.5 Å²	136.5	71%	0.709	74%	0.739	S	S	*	*			trans	55.1	112.8	147.8	-60.6	147.9	-165.2	152.3	0	118.7
318	I	30.8	Very low	27.2	Very low	143 Å²	143	139.8 Å²	139.8	73%	0.733	74%	0.743	S	S	*	*				82.2	117	64.1	-69.4	171.5	0	0	0	113.4
319	D	31.1	Very low	27.1	Very low	146 Å²	146	139 Å²	139	78%	0.781	74%	0.739	S	S	*	*			trans	55.1	115.1	156.7	-52.6	-9.5	0	0	0	121.7
320	D	32.3	Very low	27	Very low	174 Å²	174	134.9 Å²	134.9	93%	0.93	73%	0.728	S	S	*	*			trans	-140.8	150.1	134.9	-118.1	-35.1	0	0	0	109.8
321	L	26.8	Very low	26.9	Very low	145 Å²	145	131.1 Å²	131.1	76%	0.759	71%	0.706	S	S	*	*			trans	-99.4	170.2	-169.3	-88.7	162.6	0	0	0	111.7	V323	L321-V323 HydrophobicContact CD2-CG2 4.31Å
322	P	28	Very low	27.1	Very low	124 Å²	124	129.2 Å²	129.2	81%	0.805	71%	0.705	S	S	*	*			cis	-137.8	170.2	25.8	42.4	-24	0	0	0	118.8
323	V	26.6	Very low	27.2	Very low	100 Å²	100	128.4 Å²	128.4	61%	0.606	70%	0.702	S	S	*	*			trans	-67.6	143.2	171.6	172	0	0	0	0	112.6	L321 Q325	L321-V323 HydrophobicContact CD2-CG2 4.31Å; V323-Q325 HydrophobicContact CG1-CG 3.67Å
324	L	26.8	Very low	27.7	Very low	123 Å²	123	127.3 Å²	127.3	64%	0.644	70%	0.703	S	S	*	*			trans	-120.3	113.8	153.5	-102	170.1	0	0	0	109.2	L490	L324-L490 HydrophobicContact CD1-CD1 4.45Å
325	Q	25.4	Very low	27.9	Very low	171 Å²	171	130.8 Å²	130.8	80%	0.799	71%	0.708	S	S	*	*			trans	-88.7	115.1	177.4	-74.9	163.6	-69.9	0	0	110.6	V323	V323-Q325 HydrophobicContact CG1-CG 3.67Å
326	H	29	Very low	28.4	Very low	170 Å²	170	129.4 Å²	129.4	79%	0.787	71%	0.709	S	S	*	*			trans	-134.7	86.2	163.4	-75.8	-60.1	0	0	0	111.9
327	A	26.4	Very low	28.8	Very low	94 Å²	94	131.4 Å²	131.4	78%	0.777	72%	0.72	S	S	*	*			trans	39.8	82.3	151.8	0	0	0	0	0	118.2	P329	A327-P329 WeakPolarHBondContact O-CD 3.32Å
328	E	23.6	Very low	29	Very low	165 Å²	165	131.1 Å²	131.1	77%	0.771	73%	0.726	S	S	*	*			trans	-66.8	126.6	138.8	-66.9	-177.7	148.3	0	0	108.6	V330	E328-V330 HydrophobicContact CB-CG2 4Å; E328-V330 PolarHBondContact O-N 3.25Å; E328-V330 VanDerWaalsContact O-N 3.15Å
329	P	27.1	Very low	29.2	Very low	97 Å²	97	132.6 Å²	132.6	63%	0.63	74%	0.735	S	S	*	*			trans	-73.8	96.6	155	30	-28.4	0	0	0	106.7	A327 R1023	A327-P329 WeakPolarHBondContact O-CD 3.32Å; P329-R1023 PolarHBondContact O-NH1 2.85Å; P329-R1023 PolarHBondContact O-NH2 2.72Å
330	V	25.9	Very low	29.4	Very low	92 Å²	92	129 Å²	129	56%	0.558	73%	0.733	S	S	*	*			trans	-74.4	137.6	171.6	-178.7	0	0	0	0	109.1	E328 V332	E328-V330 HydrophobicContact CB-CG2 4Å; E328-V330 PolarHBondContact O-N 3.25Å; E328-V330 VanDerWaalsContact O-N 3.15Å; V330-V332 HydrophobicContact CG1-CB 4.5Å; V330-V332 HydrophobicContact CG1-CG1 3.99Å; V330-V332 HydrophobicContact CG1-CG2 4.19Å
331	A	25.4	Very low	29.6	Very low	34 Å²	34	128.6 Å²	128.6	28%	0.281	73%	0.73	S	S	.	*			trans	-133.8	79.9	162.4	0	0	0	0	0	108.3	N333 F1021	A331-N333 VanDerWaalsContact C-N 3.26Å; A331-N333 PolarHBondContact O-N 3.26Å; A331-F1021 WeakPolarHBondContact O-CE1 3.43Å; A331-F1021 WeakPolarHBondContact O-CZ 3.37Å
332	V	27.2	Very low	29.9	Very low	114 Å²	114	126.2 Å²	126.2	69%	0.691	72%	0.718	S	S	*	*			trans	-66.9	91.2	165.1	-81.6	0	0	0	0	108.4	V330 A334	V330-V332 HydrophobicContact CG1-CB 4.5Å; V330-V332 HydrophobicContact CG1-CG1 3.99Å; V330-V332 HydrophobicContact CG1-CG2 4.19Å; V332-A334 PolarHBondContact O-N 3.34Å
333	N	27.2	Very low	30.3	Very low	132 Å²	132	127 Å²	127	71%	0.706	71%	0.711	S	S	*	*			trans	-71.5	90.3	153.3	-71.3	6	0	0	0	105.6	A331	A331-N333 VanDerWaalsContact C-N 3.26Å; A331-N333 PolarHBondContact O-N 3.26Å
334	A	32.6	Very low	30.5	Very low	74 Å²	74	126.9 Å²	126.9	61%	0.612	70%	0.702	S	S	*	*			trans	-67	135.3	166.6	0	0	0	0	0	108.3	V332 D336	V332-A334 PolarHBondContact O-N 3.34Å; A334-D336 PolarHBondContact O-N 3.25Å
335	E	30.4	Very low	30.7	Very low	187 Å²	187	128.6 Å²	128.6	87%	0.874	71%	0.71	S	S	*	*			trans	-69.2	117.3	162	-58.4	-176.8	161.4	0	0	107.7
336	D	35.2	Very low	31.1	Very low	149 Å²	149	128.8 Å²	128.8	80%	0.797	71%	0.712	S	S	*	*			trans	-147.1	131	169.8	-98.5	-46.5	0	0	0	109.1	A334	A334-D336 PolarHBondContact O-N 3.25Å
337	D	36.7	Very low	31.1	Very low	162 Å²	162	128.7 Å²	128.7	87%	0.866	72%	0.717	S	S	*	*			trans	-53.4	162.7	-165.6	-63.7	-55.8	0	0	0	118.5
338	D	33.6	Very low	31.2	Very low	158 Å²	158	130.4 Å²	130.4	85%	0.845	72%	0.718	S	S	*	*			trans	-47.6	134.9	169.4	-73.3	-65.3	0	0	0	115.3
339	D	36.8	Very low	31.4	Very low	173 Å²	173	131.6 Å²	131.6	93%	0.925	72%	0.723	S	S	*	*				-173.6	114.1	124.9	-109.7	-24.1	0	0	0	111
340	G	34.1	Very low	31.5	Very low	71 Å²	71	134.6 Å²	134.6	73%	0.732	73%	0.734	S	S	*	*			trans	-97.9	145.7	-174.3	0	0	0	0	0	115.8
341	L	36.6	Very low	31.5	Very low	165 Å²	165	134.1 Å²	134.1	86%	0.864	74%	0.735	S	S	*	*			trans	-145.1	151.1	161.3	-79.8	-175.6	0	0	0	111.3
342	D	32.4	Very low	31.6	Very low	96 Å²	96	142.8 Å²	142.8	51%	0.513	77%	0.766	S	S	.	*			trans	-158.1	101	-143.3	-161.5	11.6	0	0	0	112	L1055 H1056	D342-L1055 HydrophobicContact CB-CD2 4.31Å; D342-L1055 HydrophobicContact CB-CG 4.07Å; D342-L1055 WeakPolarHBondContact O-CD2 3.34Å; D342-L1055 VanDerWaalsContact OD1-CD2 3.3Å; D342-L1055 WeakPolarHBondContact OD1-CD2 3.38Å; D342-L1055 WeakPolarHBondContact OD1-CG 3.23Å; D342-L1055 WeakPolarHBondContact OD2-CD1 3.4Å; D342-L1055 VanDerWaalsContact OD2-CG 3.24Å; D342-L1055 WeakPolarHBondContact OD2-CG 3.37Å; D342-H1056 PolarHBondContact O-CD2 2.9Å; D342-H1056 PolarHBondContact O-NE2 3.27Å
343	E	36.3	Very low	31.5	Very low	140 Å²	140	143.4 Å²	143.4	65%	0.654	76%	0.762	S	S	*	*			trans	-146.8	96.8	176.1	-142.2	160.9	-139.7	0	0	118.2	H1056	E343-H1056 IonicContact OE1-CE1 3.08Å; E343-H1056 IonicContact OE1-CG 3.07Å; E343-H1056 IonicContact OE1-ND1 3.32Å; E343-H1056 PolarHBondContact OE1-ND1 3.05Å; E343-H1056 IonicContact OE2-CE1 2.81Å; E343-H1056 IonicContact OE2-ND1 3.72Å
344	K	31.3	Very low	31.5	Very low	97 Å²	97	144.3 Å²	144.3	42%	0.422	77%	0.765	S	S	.	*			trans	44.5	115.8	139.3	-77.6	160.9	176.4	144.2	0	122	S1054 L1055	K344-S1054 WeakPolarHBondContact CE-O 3.26Å; K344-S1054 WeakPolarHBondContact CE-OG 3.42Å; K344-S1054 WeakPolarHBondContact CG-OG 3.39Å; K344-S1054 PolarHBondContact NZ-O 3.15Å; K344-L1055 HydrophobicContact CD-CB 4.49Å; K344-L1055 HydrophobicContact CG-CB 4.44Å; K344-L1055 HydrophobicContact CG-CD2 4.07Å; K344-L1055 PolarHBondContact NZ-O 3.01Å
345	I	31.3	Very low	31.2	Very low	159 Å²	159	146.3 Å²	146.3	82%	0.815	77%	0.77	S	S	*	*			trans	-162.7	109.6	138.2	-95.6	140.7	0	0	0	106.4
346	E	33.6	Very low	31.1	Very low	176 Å²	176	144.3 Å²	144.3	82%	0.822	76%	0.764	S	S	*	*				67.9	90.6	88.3	-71.7	-155.8	150.6	0	0	116.4
347	N	28.8	Very low	30.6	Very low	168 Å²	168	141.8 Å²	141.8	90%	0.898	76%	0.758	S	S	*	*			trans	8.5	109.4	154.4	-57.2	-8.8	0	0	0	119.5
348	T	29.9	Very low	30.2	Very low	130 Å²	130	138.7 Å²	138.7	80%	0.798	75%	0.748	S	S	*	*			trans	-125.4	116.9	145.2	51.7	0	0	0	0	110.3	N350	T348-N350 PolarHBondContact O-N 2.93Å
349	E	27.4	Very low	30	Very low	190 Å²	190	136.2 Å²	136.2	89%	0.888	74%	0.744	S	S	*	*			trans	-64.5	122.6	158.2	-58.7	174.9	151.9	0	0	107.6
350	N	28	Very low	29.6	Very low	159 Å²	159	137 Å²	137	85%	0.85	74%	0.742	S	S	*	*			trans	-172.5	176.4	159.2	-102.3	-25.5	0	0	0	113.4	T348	T348-N350 PolarHBondContact O-N 2.93Å
351	S	27.2	Very low	29.1	Very low	83 Å²	83	138.5 Å²	138.5	58%	0.58	74%	0.74	S	S	*	*			trans	-50.3	150.5	178.7	45.1	0	0	0	0	116.1	E353	S351-E353 PolarHBondContact O-N 2.72Å
352	F	27.8	Very low	28.6	Very low	215 Å²	215	139.3 Å²	139.3	94%	0.943	75%	0.745	S	S	*	*			trans	-64.6	94.1	157.4	-81.6	-86	0	0	0	110.2
353	E	25.1	Very low	28.5	Very low	128 Å²	128	139.1 Å²	139.1	60%	0.598	76%	0.757	S	S	*	*			trans	-83.3	121.8	160.7	-71.2	-168.7	120.7	0	0	109.5	S351 V355	S351-E353 PolarHBondContact O-N 2.72Å; E353-V355 HydrophobicContact CB-CG2 4.39Å; E353-V355 PolarHBondContact O-N 3.36Å
354	I	26.9	Very low	27.9	Very low	150 Å²	150	137.8 Å²	137.8	77%	0.769	76%	0.763	S	S	*	*			trans	-89.8	95	171.7	-58.3	177.9	0	0	0	108.1	I356	I354-I356 HydrophobicContact CG2-CD1 4.38Å; I354-I356 HydrophobicContact CG2-CG1 3.88Å; I354-I356 PolarHBondContact O-N 3.39Å; I354-I356 VanDerWaalsContact O-N 3.14Å
355	V	26.5	Very low	27.8	Very low	117 Å²	117	141.2 Å²	141.2	71%	0.709	78%	0.778	S	S	*	*			trans	-81	89.7	179.3	-176.9	0	0	0	0	110.4	E353 S357	E353-V355 HydrophobicContact CB-CG2 4.39Å; E353-V355 PolarHBondContact O-N 3.36Å; V355-S357 PolarHBondContact O-N 2.87Å
356	I	27.3	Very low	27.5	Very low	145 Å²	145	139.1 Å²	139.1	74%	0.744	78%	0.777	S	S	*	*			trans	-80.8	108.4	173.6	-52.4	-175.8	0	0	0	109.4	I354 S358	I354-I356 HydrophobicContact CG2-CD1 4.38Å; I354-I356 HydrophobicContact CG2-CG1 3.88Å; I354-I356 PolarHBondContact O-N 3.39Å; I354-I356 VanDerWaalsContact O-N 3.14Å; I356-S358 PolarHBondContact O-N 2.91Å
357	S	25.4	Very low	27.2	Very low	96 Å²	96	136.3 Å²	136.3	67%	0.671	78%	0.775	S	S	*	*			trans	-78.7	115.1	177.8	-68.7	0	0	0	0	111.5	V355 S359	V355-S357 PolarHBondContact O-N 2.87Å; S357-S359 VanDerWaalsContact C-N 3.3Å; S357-S359 PolarHBondContact O-N 3.1Å
358	S	27.1	Very low	27	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	77%	0.768	S	S	*	*			trans	-81.1	56.4	-169.9	50.6	0	0	0	0	114.8	I356 Q360 C361	I356-S358 PolarHBondContact O-N 2.91Å; S358-Q360 PolarHBondContact O-N 2.71Å; S358-C361 PolarHBondContact O-N 2.72Å
359	S	29.5	Very low	26.8	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	40.6	-176	59.9	0	0	0	0	115.8	S357	S357-S359 VanDerWaalsContact C-N 3.3Å; S357-S359 PolarHBondContact O-N 3.1Å
360	Q	28.4	Very low	26.9	Very low	189 Å²	189	130.8 Å²	130.8	88%	0.883	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.7	16.2	162	-118	154.8	111.7	0	0	117.2	S358	S358-Q360 PolarHBondContact O-N 2.71Å
361	C	25	Very low	27	Very low	102 Å²	102	129.7 Å²	129.7	69%	0.689	74%	0.741	S	S	*	*			trans	-114.3	101.8	-177.7	-63.3	0	0	0	0	113.2	S358 A363	S358-C361 PolarHBondContact O-N 2.72Å; C361-A363 PolarHBondContact O-N 3.34Å; C361-A363 VanDerWaalsContact O-N 3.12Å
362	N	25.4	Very low	27.4	Very low	183 Å²	183	131.5 Å²	131.5	98%	0.979	75%	0.751	S	S	*	*			trans	-83.8	73.3	177.4	-80.3	-35.4	0	0	0	113.1
363	A	29.6	Very low	28	Very low	92 Å²	92	124.7 Å²	124.7	76%	0.76	73%	0.727	S	S	*	*	S	Bend	trans	-153.9	147.7	162.6	0	0	0	0	0	111.1	C361	C361-A363 PolarHBondContact O-N 3.34Å; C361-A363 VanDerWaalsContact O-N 3.12Å
364	S	25.5	Very low	28.7	Very low	112 Å²	112	122.8 Å²	122.8	78%	0.783	73%	0.725	S	S	*	*			trans	-91.5	115.1	-171.6	55.6	0	0	0	0	113.5
365	F	27.3	Very low	29.8	Very low	169 Å²	169	126 Å²	126	74%	0.741	73%	0.734	S	S	*	*			trans	-139.4	152.5	159	-91.2	-84.4	0	0	0	111	D404	F365-D404 WeakPolarHBondContact CE1-OD2 3.42Å
366	S	26.4	Very low	31.2	Very low	114 Å²	114	122.5 Å²	122.5	80%	0.797	72%	0.721	S	S	*	*			trans	-102	154.4	-174	-60.5	0	0	0	0	111.5
367	P	26.8	Very low	32.4	Very low	118 Å²	118	117.9 Å²	117.9	77%	0.766	70%	0.698	S	S	*	*			trans	-87.4	178.5	-168.1	36.3	-38.5	0	0	0	114.8
368	L	25	Very low	33.8	Very low	144 Å²	144	116.6 Å²	116.6	75%	0.754	68%	0.683	S	S	*	*			trans	90.2	87.5	166.1	-61.4	150.9	0	0	0	118.3
369	I	26.1	Very low	35.2	Very low	135 Å²	135	115.4 Å²	115.4	69%	0.692	67%	0.672	S	S	*	*				-136	104.8	125.7	-56	-177	0	0	0	108.1	L371 L402	I369-L371 HydrophobicContact CG2-CD2 4.23Å; I369-L371 HydrophobicContact CG2-CG 4.17Å; I369-L402 HydrophobicContact CD1-CD1 4.42Å
370	T	29	Very low	36.5	Very low	93 Å²	93	114.7 Å²	114.7	57%	0.571	66%	0.663	S	S	*	*			trans	-91.1	104.4	177	-52.3	0	0	0	0	109.8
371	L	29.2	Very low	37.8	Very low	135 Å²	135	107.8 Å²	107.8	71%	0.707	64%	0.638	S	S	*	*			trans	-92.4	129.7	173.9	-67.7	177.4	0	0	0	110.7	I369 V373	I369-L371 HydrophobicContact CG2-CD2 4.23Å; I369-L371 HydrophobicContact CG2-CG 4.17Å; L371-V373 PolarHBondContact O-N 2.86Å
372	P	36.3	Very low	39.3	Very low	121 Å²	121	108 Å²	108	79%	0.786	64%	0.636	S	S	*	*			trans	-74.6	115.1	-179.2	29.2	-33.6	0	0	0	111.4
373	V	39.8	Very low	40.9	Very low	73 Å²	73	103.1 Å²	103.1	44%	0.442	61%	0.61	S	S	.	*			trans	-75.8	127.8	175.7	-178.9	0	0	0	0	110.2	L371 L377 V379	L371-V373 PolarHBondContact O-N 2.86Å; V373-L377 HydrophobicContact CG1-CB 3.7Å; V373-V379 HydrophobicContact CG2-CG2 4.38Å
374	P	41	Very low	42.3	Very low	87 Å²	87	105.3 Å²	105.3	57%	0.565	61%	0.609	S	S	*	*			trans	-61	146.1	175.7	-24.7	33.6	0	0	0	113.8	G376 L377	P374-G376 PolarHBondContact O-N 2.87Å; P374-L377 HydrophobicContact CB-CD1 4.18Å; P374-L377 HydrophobicContact CG-CD1 4.14Å; P374-L377 PolarHBondContact O-N 3.22Å
375	K	49.6	Very low	43.7	Very low	219 Å²	219	102.8 Å²	102.8	95%	0.952	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	115.7	178.2	-65.9	-171.4	177.8	-170.7	0	111.1
376	G	55.8	Low	45.2	Very low	43 Å²	43	94.9 Å²	94.9	44%	0.443	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	133.8	-30.9	-176.1	0	0	0	0	0	111.8	P374 N378	P374-G376 PolarHBondContact O-N 2.87Å; G376-N378 PolarHBondContact O-ND2 3Å
377	L	52.9	Low	46.4	Very low	48 Å²	48	91.8 Å²	91.8	25%	0.251	53%	0.529	S	S	.	.			trans	-93.7	132.7	-174.7	-69.2	168.7	0	0	0	112	V373 P374 I389 F390 E391	V373-L377 HydrophobicContact CG1-CB 3.7Å; P374-L377 HydrophobicContact CB-CD1 4.18Å; P374-L377 HydrophobicContact CG-CD1 4.14Å; P374-L377 PolarHBondContact O-N 3.22Å; L377-I389 HydrophobicContact CB-CG2 3.62Å; L377-I389 HydrophobicContact CD1-CG2 4.47Å; L377-I389 HydrophobicContact CD2-CG2 3.7Å; L377-I389 HydrophobicContact CG-CG2 4.12Å; L377-F390 WeakPolarHBondContact CA-O 3.3Å; L377-E391 HydrophobicContact CD2-CB 3.66Å; L377-E391 HydrophobicContact CD2-CG 3.83Å
378	N	54.8	Low	47.8	Very low	69 Å²	69	88.2 Å²	88.2	37%	0.369	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.8	-179.8	-52.9	-97.8	0	0	0	109.6	G376 I389 F390	G376-N378 PolarHBondContact O-ND2 3Å; N378-I389 CarbonylContact O-C 3.54Å; N378-I389 WeakPolarHBondContact O-CA 3.11Å; N378-F390 PolarHBondContact N-O 2.98Å; N378-F390 PolarHBondContact O-N 3.33Å
379	V	55.6	Low	49.4	Very low	71 Å²	71	82.5 Å²	82.5	43%	0.43	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	128.1	170.7	178	0	0	0	0	108.8	V373 V382 V387 I389	V373-V379 HydrophobicContact CG2-CG2 4.38Å; V379-V382 HydrophobicContact CG1-CG2 3.91Å; V379-V387 HydrophobicContact CB-CG1 4.4Å; V379-V387 HydrophobicContact CG1-CG1 3.7Å; V379-V387 HydrophobicContact CG2-CG1 3.82Å; V379-I389 HydrophobicContact CG2-CG1 4.43Å
380	V	57.3	Low	50.9	Low	92 Å²	92	78.3 Å²	78.3	56%	0.558	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	-25	-176.3	174.1	0	0	0	0	112.8	H388 F390	V380-H388 PolarHBondContact N-O 2.89Å; V380-F390 HydrophobicContact CB-CD2 3.59Å; V380-F390 HydrophobicContact CB-CE2 3.75Å; V380-F390 HydrophobicContact CG1-CD2 4.12Å; V380-F390 HydrophobicContact CG1-CE2 3.79Å; V380-F390 HydrophobicContact CG2-CB 4.11Å; V380-F390 HydrophobicContact CG2-CD2 3.34Å; V380-F390 HydrophobicContact CG2-CE2 3.9Å; V380-F390 HydrophobicContact CG2-CG 3.87Å
381	A	56.3	Low	51.8	Low	44 Å²	44	78 Å²	78	36%	0.364	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.1	169.5	0	0	0	0	0	111.4	H388	A381-H388 HydrophobicContact CB-CB 4.11Å; A381-H388 PolarHBondContact O-N 3.21Å
382	V	55.1	Low	52.7	Low	107 Å²	107	78.8 Å²	78.8	65%	0.648	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.4	166.9	-176.1	0	0	0	0	106.9	V379 G386 V387	V379-V382 HydrophobicContact CG1-CG2 3.91Å; V382-G386 WeakPolarHBondContact CA-O 3.43Å; V382-V387 HydrophobicContact CG1-CG2 4.39Å; V382-V387 HydrophobicContact CG2-CG1 4.39Å; V382-V387 HydrophobicContact CG2-CG2 4.33Å
383	D	60.7	Low	52.8	Low	79 Å²	79	76 Å²	76	42%	0.422	44%	0.439	S	S	.	.			trans	-138.7	-179.7	179.1	60.4	26	0	0	0	111	D385 G386 H388	D383-D385 PolarHBondContact O-N 2.87Å; D383-D385 VanDerWaalsContact OD1-CA 3.26Å; D383-D385 WeakPolarHBondContact OD1-CA 3.47Å; D383-D385 VanDerWaalsContact OD1-CB 3.27Å; D383-D385 WeakPolarHBondContact OD1-CB 3.35Å; D383-D385 PolarHBondContact OD1-N 3.48Å; D383-G386 PolarHBondContact N-O 3.49Å; D383-G386 PolarHBondContact O-N 2.79Å; D383-G386 PolarHBondContact OD1-N 2.95Å; D383-H388 VanDerWaalsContact CG-NE2 3.31Å; D383-H388 IonicContact OD1-NE2 3.03Å; D383-H388 PolarHBondContact OD1-NE2 2.87Å; D383-H388 IonicContact OD2-CD2 3.35Å; D383-H388 IonicContact OD2-CE1 2.68Å; D383-H388 IonicContact OD2-NE2 3.91Å; D383-H388 PolarHBondContact OD2-NE2 3.03Å
384	D	59	Low	53.1	Low	138 Å²	138	77.9 Å²	77.9	74%	0.738	45%	0.447	S	S	*	.	S	Bend	trans	-62.8	-9.9	176.7	-62.7	-22.3	0	0	0	113.1	R481	D384-R481 VanDerWaalsContact O-CZ 3.24Å; D384-R481 PolarHBondContact O-NH1 2.91Å; D384-R481 PolarHBondContact O-NH2 2.88Å
385	D	53.9	Low	53	Low	60 Å²	60	81.6 Å²	81.6	32%	0.321	45%	0.454	S	S	.	.	S	Bend	trans	-97.4	-32	179.3	-99.5	-60.7	0	0	0	112.5	D383 P400 G401 R481	D383-D385 PolarHBondContact O-N 2.87Å; D383-D385 VanDerWaalsContact OD1-CA 3.26Å; D383-D385 WeakPolarHBondContact OD1-CA 3.47Å; D383-D385 VanDerWaalsContact OD1-CB 3.27Å; D383-D385 WeakPolarHBondContact OD1-CB 3.35Å; D383-D385 PolarHBondContact OD1-N 3.48Å; D385-P400 WeakPolarHBondContact O-CA 3.42Å; D385-G401 PolarHBondContact O-N 2.91Å; D385-R481 VanDerWaalsContact CG-NH1 3.26Å; D385-R481 WeakPolarHBondContact OD1-CD 3.47Å; D385-R481 IonicContact OD1-CZ 2.72Å; D385-R481 IonicContact OD1-NE 2.63Å; D385-R481 PolarHBondContact OD1-NE 2.85Å; D385-R481 IonicContact OD1-NH1 2.71Å; D385-R481 PolarHBondContact OD1-NH1 3.36Å; D385-R481 WeakPolarHBondContact OD2-CB 3.43Å; D385-R481 WeakPolarHBondContact OD2-CD 3.46Å; D385-R481 IonicContact OD2-CZ 3.33Å; D385-R481 IonicContact OD2-NE 2.68Å; D385-R481 PolarHBondContact OD2-NE 2.88Å; D385-R481 IonicContact OD2-NH1 3.86Å; D385-R481 IonicContact OD2-NH2 3.1Å; D385-R481 PolarHBondContact OD2-NH2 3.37Å
386	G	58.3	Low	52.8	Low	2 Å²	2	75 Å²	75	2%	0.021	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.2	-168.3	175.3	0	0	0	0	0	117	V382 D383 L399	V382-G386 WeakPolarHBondContact CA-O 3.43Å; D383-G386 PolarHBondContact N-O 3.49Å; D383-G386 PolarHBondContact O-N 2.79Å; D383-G386 PolarHBondContact OD1-N 2.95Å; G386-L399 WeakPolarHBondContact CA-O 3.44Å
387	V	52.6	Low	52.1	Low	50 Å²	50	82.2 Å²	82.2	30%	0.303	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.9	167.8	-177.7	0	0	0	0	108.2	V379 V382 I389 L399	V379-V387 HydrophobicContact CB-CG1 4.4Å; V379-V387 HydrophobicContact CG1-CG1 3.7Å; V379-V387 HydrophobicContact CG2-CG1 3.82Å; V382-V387 HydrophobicContact CG1-CG2 4.39Å; V382-V387 HydrophobicContact CG2-CG1 4.39Å; V382-V387 HydrophobicContact CG2-CG2 4.33Å; V387-I389 HydrophobicContact CG1-CD1 4.3Å; V387-I389 HydrophobicContact CG1-CG1 4.01Å; V387-L399 PolarHBondContact N-O 3.3Å; V387-L399 PolarHBondContact O-N 2.98Å; V387-L399 VanDerWaalsContact O-N 3.13Å
388	H	56.4	Low	51.5	Low	43 Å²	43	82.4 Å²	82.4	20%	0.199	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.2	-179	-59.1	-98.1	0	0	0	110.3	V380 A381 D383	V380-H388 PolarHBondContact N-O 2.89Å; A381-H388 HydrophobicContact CB-CB 4.11Å; A381-H388 PolarHBondContact O-N 3.21Å; D383-H388 VanDerWaalsContact CG-NE2 3.31Å; D383-H388 IonicContact OD1-NE2 3.03Å; D383-H388 PolarHBondContact OD1-NE2 2.87Å; D383-H388 IonicContact OD2-CD2 3.35Å; D383-H388 IonicContact OD2-CE1 2.68Å; D383-H388 IonicContact OD2-NE2 3.91Å; D383-H388 PolarHBondContact OD2-NE2 3.03Å
389	I	58.1	Low	51	Low	24 Å²	24	84.1 Å²	84.1	12%	0.123	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.2	-167.2	-52.5	-175.9	0	0	0	110.7	L377 N378 V379 V387 L399	L377-I389 HydrophobicContact CB-CG2 3.62Å; L377-I389 HydrophobicContact CD1-CG2 4.47Å; L377-I389 HydrophobicContact CD2-CG2 3.7Å; L377-I389 HydrophobicContact CG-CG2 4.12Å; N378-I389 CarbonylContact O-C 3.54Å; N378-I389 WeakPolarHBondContact O-CA 3.11Å; V379-I389 HydrophobicContact CG2-CG1 4.43Å; V387-I389 HydrophobicContact CG1-CD1 4.3Å; V387-I389 HydrophobicContact CG1-CG1 4.01Å; I389-L399 HydrophobicContact CD1-CD1 4.14Å
390	F	57.9	Low	50.4	Low	47 Å²	47	85.9 Å²	85.9	21%	0.206	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.4	176.9	-85.7	-111.1	0	0	0	111.8	L377 N378 V380 F395	L377-F390 WeakPolarHBondContact CA-O 3.3Å; N378-F390 PolarHBondContact N-O 2.98Å; N378-F390 PolarHBondContact O-N 3.33Å; V380-F390 HydrophobicContact CB-CD2 3.59Å; V380-F390 HydrophobicContact CB-CE2 3.75Å; V380-F390 HydrophobicContact CG1-CD2 4.12Å; V380-F390 HydrophobicContact CG1-CE2 3.79Å; V380-F390 HydrophobicContact CG2-CB 4.11Å; V380-F390 HydrophobicContact CG2-CD2 3.34Å; V380-F390 HydrophobicContact CG2-CE2 3.9Å; V380-F390 HydrophobicContact CG2-CG 3.87Å; F390-F395 HydrophobicContact CE1-CD2 4.33Å; F390-F395 HydrophobicContact CE1-CE2 4.22Å; F390-F395 HydrophobicContact CE2-CE1 4.15Å; F390-F395 HydrophobicContact CE2-CE2 4.48Å; F390-F395 HydrophobicContact CE2-CZ 4.12Å; F390-F395 HydrophobicContact CZ-CD1 4.48Å; F390-F395 HydrophobicContact CZ-CD2 4.07Å; F390-F395 HydrophobicContact CZ-CE1 4.1Å; F390-F395 AromaticContact CZ-CE2 3.64Å; F390-F395 HydrophobicContact CZ-CE2 3.64Å; F390-F395 HydrophobicContact CZ-CG 4.48Å; F390-F395 AromaticContact CZ-CZ 3.66Å; F390-F395 HydrophobicContact CZ-CZ 3.66Å
391	E	46.6	Very low	49.5	Very low	85 Å²	85	83.2 Å²	83.2	40%	0.397	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.5	162.7	-149.1	169	-149.9	0	0	108.2	L377 G393 N394 L396	L377-E391 HydrophobicContact CD2-CB 3.66Å; L377-E391 HydrophobicContact CD2-CG 3.83Å; E391-G393 PolarHBondContact O-N 2.68Å; E391-N394 PolarHBondContact O-N 2.78Å; E391-L396 HydrophobicContact CB-CD1 4.34Å
392	D	48.1	Very low	48.5	Very low	153 Å²	153	88.6 Å²	88.6	82%	0.818	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.3	37.3	173.6	-67.4	-6	0	0	0	116.5	N394	D392-N394 VanDerWaalsContact C-N 3.32Å; D392-N394 PolarHBondContact O-N 2.96Å; D392-N394 PolarHBondContact O-ND2 3.12Å
393	G	39.9	Very low	47.6	Very low	63 Å²	63	87.3 Å²	87.3	65%	0.649	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	3.3	177.1	0	0	0	0	0	115.9	E391	E391-G393 PolarHBondContact O-N 2.68Å
394	N	45.2	Very low	46.4	Very low	112 Å²	112	88.9 Å²	88.9	60%	0.599	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.6	177.7	-70.4	-72.8	0	0	0	111.7	E391 D392 L396	E391-N394 PolarHBondContact O-N 2.78Å; D392-N394 VanDerWaalsContact C-N 3.32Å; D392-N394 PolarHBondContact O-N 2.96Å; D392-N394 PolarHBondContact O-ND2 3.12Å; N394-L396 PolarHBondContact O-N 3.07Å
395	F	39.6	Very low	45.3	Very low	164 Å²	164	90.1 Å²	90.1	72%	0.719	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.2	176.3	-92.8	-91.4	0	0	0	111.3	F390	F390-F395 HydrophobicContact CE1-CD2 4.33Å; F390-F395 HydrophobicContact CE1-CE2 4.22Å; F390-F395 HydrophobicContact CE2-CE1 4.15Å; F390-F395 HydrophobicContact CE2-CE2 4.48Å; F390-F395 HydrophobicContact CE2-CZ 4.12Å; F390-F395 HydrophobicContact CZ-CD1 4.48Å; F390-F395 HydrophobicContact CZ-CD2 4.07Å; F390-F395 HydrophobicContact CZ-CE1 4.1Å; F390-F395 AromaticContact CZ-CE2 3.64Å; F390-F395 HydrophobicContact CZ-CE2 3.64Å; F390-F395 HydrophobicContact CZ-CG 4.48Å; F390-F395 AromaticContact CZ-CZ 3.66Å; F390-F395 HydrophobicContact CZ-CZ 3.66Å
396	L	45.2	Very low	44.3	Very low	80 Å²	80	98 Å²	98	42%	0.419	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	93.7	177.1	-87.1	166.1	0	0	0	111.5	E391 N394	E391-L396 HydrophobicContact CB-CD1 4.34Å; N394-L396 PolarHBondContact O-N 3.07Å
397	Y	40.7	Very low	43.1	Very low	196 Å²	196	102.8 Å²	102.8	77%	0.769	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	62.6	130.6	168.7	-57.7	-86.2	0	0	0	117.7
398	A	40.7	Very low	42.3	Very low	52 Å²	52	108.2 Å²	108.2	43%	0.43	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.8	128.1	157.5	0	0	0	0	0	108.7	P400	A398-P400 WeakPolarHBondContact O-CD 3.42Å
399	L	43.4	Very low	41.5	Very low	104 Å²	104	114.5 Å²	114.5	55%	0.545	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.6	115.7	171.6	-84.9	167.5	0	0	0	109.3	G386 V387 I389 G401	G386-L399 WeakPolarHBondContact CA-O 3.44Å; V387-L399 PolarHBondContact N-O 3.3Å; V387-L399 PolarHBondContact O-N 2.98Å; V387-L399 VanDerWaalsContact O-N 3.13Å; I389-L399 HydrophobicContact CD1-CD1 4.14Å; L399-G401 PolarHBondContact O-N 2.86Å
400	P	44.4	Very low	40.2	Very low	109 Å²	109	117.8 Å²	117.8	71%	0.708	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-58.2	125.2	-174.2	-26.5	35.6	0	0	0	113	D385 A398 L402	D385-P400 WeakPolarHBondContact O-CA 3.42Å; A398-P400 WeakPolarHBondContact O-CD 3.42Å; P400-L402 PolarHBondContact O-N 3.33Å
401	G	37.2	Very low	39.3	Very low	35 Å²	35	122.4 Å²	122.4	36%	0.361	66%	0.661	S	S	.	*			trans	-59.8	131.3	175.6	0	0	0	0	0	111.3	D385 L399 T403	D385-G401 PolarHBondContact O-N 2.91Å; L399-G401 PolarHBondContact O-N 2.86Å; G401-T403 VanDerWaalsContact C-N 3.26Å; G401-T403 PolarHBondContact O-N 3.39Å
402	L	35	Very low	38.7	Very low	157 Å²	157	128.2 Å²	128.2	82%	0.822	69%	0.685	S	S	*	*			trans	-73.6	77.5	177.9	-69.3	174.7	0	0	0	110.8	I369 P400	I369-L402 HydrophobicContact CD1-CD1 4.42Å; P400-L402 PolarHBondContact O-N 3.33Å
403	T	36.8	Very low	38.1	Very low	81 Å²	81	130.4 Å²	130.4	50%	0.497	68%	0.683	S	S	.	*			trans	-59.2	139.8	176.1	62.1	0	0	0	0	111.6	G401 K405	G401-T403 VanDerWaalsContact C-N 3.26Å; G401-T403 PolarHBondContact O-N 3.39Å; T403-K405 VanDerWaalsContact C-N 3.34Å; T403-K405 PolarHBondContact O-N 3.46Å
404	D	35	Very low	37.8	Very low	112 Å²	112	133 Å²	133	60%	0.599	68%	0.682	S	S	*	*	S	Bend	trans	-59.4	83.1	-174.1	-52.4	-84.1	0	0	0	114.2	F365	F365-D404 WeakPolarHBondContact CE1-OD2 3.42Å
405	K	37.5	Very low	37.3	Very low	163 Å²	163	132.1 Å²	132.1	71%	0.709	69%	0.685	S	S	*	*			trans	-136.4	-4	-179.8	-68.4	-64.1	168.4	-153.1	0	114.8	T403	T403-K405 VanDerWaalsContact C-N 3.34Å; T403-K405 PolarHBondContact O-N 3.46Å
406	Y	32.3	Very low	36.9	Very low	226 Å²	226	134 Å²	134	89%	0.886	69%	0.687	S	S	*	*			trans	-128.7	82.1	176.3	-65.3	-73.4	0	0	0	109.8
407	S	31.9	Very low	36.4	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	71%	0.705	S	S	*	*			trans	-143.2	141.7	165.4	-57.9	0	0	0	0	105.5
408	D	36.1	Very low	35.9	Very low	163 Å²	163	136.3 Å²	136.3	87%	0.872	71%	0.708	S	S	*	*	S	Bend	trans	60.8	75.4	-164.2	-60.2	-17.4	0	0	0	114.6
409	D	39.5	Very low	35.5	Very low	175 Å²	175	141.4 Å²	141.4	94%	0.936	73%	0.726	S	S	*	*				-156.6	137.7	127.4	-100.7	-29.8	0	0	0	108.6
410	S	32.5	Very low	34.8	Very low	93 Å²	93	142.4 Å²	142.4	65%	0.65	74%	0.737	S	S	*	*			trans	-101.7	172.4	-172.2	56.8	0	0	0	0	113.7
411	D	37.1	Very low	34	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	74%	0.738	S	S	*	*			trans	70.6	77.3	157.9	-46.4	-51.3	0	0	0	118.9
412	F	34.7	Very low	33.7	Very low	207 Å²	207	148.2 Å²	148.2	91%	0.908	75%	0.752	S	S	*	*				-153	145.2	124.5	-149.1	-111.8	0	0	0	112.2
413	Y	35.5	Very low	33.5	Very low	199 Å²	199	146.2 Å²	146.2	78%	0.78	75%	0.752	S	S	*	*			trans	-130.9	150.5	-172.8	-148.9	-85.5	0	0	0	109.8
414	D	34.2	Very low	33.4	Very low	117 Å²	117	148.8 Å²	148.8	63%	0.626	76%	0.762	S	S	*	*			trans	48.8	122.5	169.1	-105.2	-55.8	0	0	0	119.3
415	S	35.3	Very low	33.2	Very low	94 Å²	94	152 Å²	152	66%	0.657	78%	0.779	S	S	*	*				176.4	138.2	90	38.8	0	0	0	0	113.7
416	R	31.1	Very low	33	Very low	203 Å²	203	151.3 Å²	151.3	77%	0.766	78%	0.781	S	S	*	*			trans	51.7	125.9	146.3	-66.9	-175.8	170.4	94.1	7.7	119
417	E	33	Very low	32.8	Very low	167 Å²	167	145.2 Å²	145.2	78%	0.78	77%	0.772	S	S	*	*				61.1	129.4	68.8	-63.6	-179.1	141.1	0	0	113.3
418	D	31.5	Very low	32.9	Very low	157 Å²	157	146.6 Å²	146.6	84%	0.84	78%	0.778	S	S	*	*			trans	57.9	110.8	176.3	-59.8	-21.2	0	0	0	119
419	I	31.5	Very low	32.6	Very low	159 Å²	159	143.6 Å²	143.6	82%	0.815	77%	0.77	S	S	*	*				-160.4	125.5	128.4	-98.3	148.2	0	0	0	108.5
420	T	28.3	Very low	32.2	Very low	125 Å²	125	146.3 Å²	146.3	77%	0.767	77%	0.769	S	S	*	*			trans	-95.7	158.2	166.8	48.1	0	0	0	0	110.2
421	N	29	Very low	32.2	Very low	137 Å²	137	147.2 Å²	147.2	73%	0.733	77%	0.77	S	S	*	*			trans	72.3	132.9	-168.3	-46.7	-80.5	0	0	0	114.5
422	I	30.6	Very low	31.8	Very low	129 Å²	129	145.3 Å²	145.3	66%	0.662	77%	0.774	S	S	*	*				-178.1	137.6	103.2	-89.4	158.1	0	0	0	108.2	D424	I422-D424 VanDerWaalsContact C-N 3.27Å; I422-D424 HydrophobicContact CG2-CB 3.65Å; I422-D424 VanDerWaalsContact CG2-OD2 3.23Å; I422-D424 WeakPolarHBondContact CG2-OD2 3.18Å; I422-D424 PolarHBondContact O-N 3.19Å
423	S	30	Very low	31.8	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	77%	0.769	S	S	*	*			trans	-85.9	24.2	-169.5	-54.1	0	0	0	0	115
424	D	34.7	Very low	31.6	Very low	135 Å²	135	141.8 Å²	141.8	72%	0.722	77%	0.768	S	S	*	*			trans	-98.1	16.3	-161.9	-67	-11.8	0	0	0	115.3	I422	I422-D424 VanDerWaalsContact C-N 3.27Å; I422-D424 HydrophobicContact CG2-CB 3.65Å; I422-D424 VanDerWaalsContact CG2-OD2 3.23Å; I422-D424 WeakPolarHBondContact CG2-OD2 3.18Å; I422-D424 PolarHBondContact O-N 3.19Å
425	L	31.7	Very low	31.5	Very low	180 Å²	180	141.1 Å²	141.1	94%	0.942	77%	0.768	S	S	*	*			trans	-112.4	48.7	179.2	-67.7	179.2	0	0	0	113.8
426	I	31.9	Very low	31.1	Very low	148 Å²	148	144.6 Å²	144.6	76%	0.759	78%	0.779	S	S	*	*			trans	-103.1	124.9	161.6	-61.9	179.5	0	0	0	108.9
427	S	28.3	Very low	31.4	Very low	99 Å²	99	141.3 Å²	141.3	69%	0.692	78%	0.777	S	S	*	*			trans	86.1	106.1	176.8	-38.8	0	0	0	0	117.2
428	P	34.6	Very low	31.5	Very low	132 Å²	132	142.6 Å²	142.6	86%	0.857	78%	0.783	S	S	*	*			trans	-78.7	112.7	140	30.6	-24.4	0	0	0	108.4
429	S	30.5	Very low	31.5	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	78%	0.781	S	S	*	*			trans	-73.8	139.1	176.1	50.7	0	0	0	0	111.3
430	Y	31.2	Very low	31.6	Very low	233 Å²	233	142.1 Å²	142.1	91%	0.914	78%	0.777	S	S	*	*			trans	-100.7	111.1	159.2	-121.8	-87.2	0	0	0	108.2
431	T	30.7	Very low	31.9	Very low	112 Å²	112	141.3 Å²	141.3	69%	0.687	77%	0.771	S	S	*	*			trans	-77	120.8	-179.9	46.8	0	0	0	0	110.9
432	A	30.1	Very low	32.2	Very low	104 Å²	104	143.2 Å²	143.2	86%	0.86	77%	0.773	S	S	*	*			trans	-95.3	98.7	157.5	0	0	0	0	0	108.3
433	E	33.7	Very low	32.3	Very low	168 Å²	168	142.8 Å²	142.8	79%	0.785	78%	0.776	S	S	*	*			trans	-68.9	130.2	166	-60.2	-173.4	146.4	0	0	109.1
434	Q	31.6	Very low	32.5	Very low	164 Å²	164	143.5 Å²	143.5	77%	0.766	77%	0.771	S	S	*	*				176.4	137.5	98.8	-91	-175.4	2.5	0	0	112.3
435	V	31.4	Very low	32.3	Very low	103 Å²	103	143.4 Å²	143.4	62%	0.624	77%	0.769	S	S	*	*			trans	28.8	120.1	137.4	-171.7	0	0	0	0	118
436	N	28.4	Very low	32.3	Very low	168 Å²	168	141.7 Å²	141.7	90%	0.898	76%	0.756	S	S	*	*				-143.5	124.9	127.5	-92.3	-68.5	0	0	0	109.4
437	D	36.6	Very low	32.3	Very low	134 Å²	134	143 Å²	143	72%	0.717	76%	0.757	S	S	*	*			trans	-81.2	160	174.4	-62	-73.4	0	0	0	111.8
438	E	34.6	Very low	32.6	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	76%	0.757	S	S	*	*			trans	43.7	149.4	154.6	-64.8	-165.3	149.8	0	0	122.7
439	E	32.9	Very low	32.3	Very low	173 Å²	173	144.9 Å²	144.9	81%	0.808	76%	0.755	S	S	*	*			trans	-59.5	134.5	167.9	-53.4	174.7	109.5	0	0	111
440	N	33.1	Very low	32.3	Very low	134 Å²	134	145.3 Å²	145.3	72%	0.717	76%	0.758	S	S	*	*				-178.6	138.4	102.8	-101.1	-81.6	0	0	0	115
441	V	34.2	Very low	32.5	Very low	107 Å²	107	140.2 Å²	140.2	65%	0.648	75%	0.751	S	S	*	*			trans	50.9	98.3	136.3	178.5	0	0	0	0	119.1
442	K	34.5	Very low	32.6	Very low	178 Å²	178	139.8 Å²	139.8	77%	0.774	75%	0.752	S	S	*	*			trans	66.9	115	131	-63.4	-178.5	-171.9	171.2	0	120.8
443	T	33.1	Very low	32.8	Very low	119 Å²	119	140.3 Å²	140.3	73%	0.73	75%	0.75	S	S	*	*				79.6	140.6	125.4	61.5	0	0	0	0	121.8
444	N	34.8	Very low	33	Very low	130 Å²	130	137 Å²	137	70%	0.695	75%	0.745	S	S	*	*			trans	88.6	96.6	145	-66.6	-7.4	0	0	0	121.4
445	I	31.4	Very low	33.1	Very low	134 Å²	134	136.6 Å²	136.6	69%	0.687	75%	0.748	S	S	*	*				71.1	108.4	109.6	-68.9	165	0	0	0	118.3
446	E	30.7	Very low	33	Very low	143 Å²	143	136.8 Å²	136.8	67%	0.668	75%	0.754	S	S	*	*			trans	67.1	151.8	142.2	-68.1	-178.8	177.9	0	0	123.1
447	K	32.8	Very low	33.5	Very low	176 Å²	176	134 Å²	134	77%	0.765	75%	0.745	S	S	*	*				103.5	149.7	126.5	-108	165.3	-169.7	140.3	0	120.8
448	V	32.9	Very low	33.4	Very low	115 Å²	115	136.9 Å²	136.9	70%	0.697	75%	0.751	S	S	*	*			trans	76.9	85.2	167.1	-165.6	0	0	0	0	118.8
449	L	28.4	Very low	33.2	Very low	156 Å²	156	132.9 Å²	132.9	82%	0.817	74%	0.744	S	S	*	*				39	135.6	112.3	-53.6	163.4	0	0	0	120.1
450	S	31.7	Very low	33.2	Very low	108 Å²	108	132 Å²	132	76%	0.755	74%	0.744	S	S	*	*				146.3	135.4	103.4	63.4	0	0	0	0	118.4
451	V	34.3	Very low	33.1	Very low	126 Å²	126	131.3 Å²	131.3	76%	0.764	74%	0.744	S	S	*	*			trans	76.2	91.6	134.7	174.5	0	0	0	0	121.9
452	S	32.4	Very low	33.2	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	75%	0.754	S	S	*	*				71.6	151.3	113.1	-51.2	0	0	0	0	124.9
453	S	34.4	Very low	33.1	Very low	116 Å²	116	136.1 Å²	136.1	81%	0.811	76%	0.762	S	S	*	*			trans	97.1	144.6	154.4	-39.2	0	0	0	0	117.1
454	S	37.8	Very low	33.3	Very low	97 Å²	97	140 Å²	140	68%	0.678	77%	0.769	S	S	*	*			cis	-171	143	-23	52.6	0	0	0	0	112
455	N	35.4	Very low	33.2	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	78%	0.78	S	S	*	*			trans	54.4	120.3	147.8	-59.5	-11.8	0	0	0	122.1
456	S	28.9	Very low	33.5	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	78%	0.783	S	S	*	*			trans	-65.4	166.9	156.6	73.8	0	0	0	0	112.8
457	P	38.4	Very low	33.8	Very low	109 Å²	109	141.1 Å²	141.1	71%	0.708	78%	0.783	S	S	*	*				-153	148.4	84.1	38.7	-19.5	0	0	0	119.1
458	K	34	Very low	33.9	Very low	195 Å²	195	140.7 Å²	140.7	85%	0.848	78%	0.782	S	S	*	*			trans	52.7	103.2	135.3	-60	173.1	-178	177	0	120.9
459	S	31.1	Very low	34	Very low	109 Å²	109	146.6 Å²	146.6	76%	0.762	79%	0.791	S	S	*	*				41.1	120	119.6	-164.9	0	0	0	0	120.6
460	I	33.9	Very low	34.6	Very low	156 Å²	156	145 Å²	145	80%	0.8	79%	0.794	S	S	*	*				-162	144.4	106.4	-101.7	163.8	0	0	0	112.4
461	T	31.2	Very low	34.7	Very low	118 Å²	118	144 Å²	144	72%	0.724	80%	0.8	S	S	*	*			trans	-22	121.9	171.5	-51.5	0	0	0	0	118.9
462	T	35.5	Very low	35.2	Very low	141 Å²	141	142.8 Å²	142.8	87%	0.865	80%	0.797	S	S	*	*				-160.7	144.4	129.7	6.3	0	0	0	0	111.6
463	R	32	Very low	35.5	Very low	246 Å²	246	143.8 Å²	143.8	93%	0.928	80%	0.804	S	S	*	*			trans	-90.8	122.4	-175.9	-57.9	175.1	-173.6	161.8	0.5	111.1
464	K	37.8	Very low	36.3	Very low	201 Å²	201	144.6 Å²	144.6	87%	0.874	80%	0.799	S	S	*	*			trans	-155.6	124.8	150.6	-140.3	166.8	-173.2	174.2	0	112.9	V466	K464-V466 PolarHBondContact O-N 2.92Å
465	L	32.9	Very low	36.9	Very low	179 Å²	179	144.1 Å²	144.1	94%	0.937	80%	0.796	S	S	*	*			trans	-72.9	119.1	175.9	-71.6	129.8	0	0	0	110.7
466	V	38.3	Very low	37.6	Very low	124 Å²	124	145.4 Å²	145.4	75%	0.752	80%	0.802	S	S	*	*			trans	-141	99.6	162	-177.6	0	0	0	0	110.7	K464	K464-V466 PolarHBondContact O-N 2.92Å
467	N	35.1	Very low	39.2	Very low	126 Å²	126	145.4 Å²	145.4	67%	0.674	80%	0.797	S	S	*	*			trans	46.6	120.8	142.9	-79	-37.5	0	0	0	122.7
468	K	36.9	Very low	40.6	Very low	167 Å²	167	149.5 Å²	149.5	73%	0.726	80%	0.804	S	S	*	*				83.1	122.7	120.8	-70.6	174.6	-178.5	177	0	121.2
469	R	33.5	Very low	42.2	Very low	239 Å²	239	147.5 Å²	147.5	90%	0.902	80%	0.798	S	S	*	*			trans	72.3	76.3	134.1	-67	179.8	170	-168.3	-5.7	118.2
470	S	41	Very low	44.5	Very low	124 Å²	124	147.1 Å²	147.1	87%	0.867	79%	0.792	S	S	*	*				-123.6	141.6	129.2	52.4	0	0	0	0	108
471	G	35.1	Very low	46.8	Very low	85 Å²	85	145.9 Å²	145.9	88%	0.876	78%	0.777	S	S	*	*			trans	-94.9	132.8	-178	0	0	0	0	0	112
472	S	43	Very low	49.5	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	77%	0.771	S	S	*	*			trans	-151.1	113.8	156.5	166.1	0	0	0	0	105.6
473	S	39.4	Very low	52	Low	123 Å²	123	148 Å²	148	86%	0.86	77%	0.767	S	S	*	*			trans	-102.9	67.2	-172.4	50.3	0	0	0	0	110
474	D	51	Low	54.8	Low	133 Å²	133	145.3 Å²	145.3	71%	0.711	76%	0.762	S	S	*	*			trans	-116.5	110.2	-177.3	-93.7	-57.7	0	0	0	113.1
475	S	50.3	Low	57.4	Low	88 Å²	88	140 Å²	140	62%	0.615	75%	0.751	S	S	*	*			trans	58.9	96.9	153.7	77.3	0	0	0	0	117.8	V477	S475-V477 PolarHBondContact O-N 2.89Å
476	L	51.2	Low	60.2	Low	183 Å²	183	137.5 Å²	137.5	96%	0.958	75%	0.748	S	S	*	*			trans	-75.2	58.9	158.5	-109.5	159.7	0	0	0	110.2	K478	L476-K478 PolarHBondContact O-N 3.4Å
477	V	61.1	Low	62.8	Low	107 Å²	107	138.7 Å²	138.7	65%	0.648	75%	0.745	S	S	*	*			trans	-66.1	107.7	173.2	-169.8	0	0	0	0	107.9	S475 Q479	S475-V477 PolarHBondContact O-N 2.89Å; V477-Q479 PolarHBondContact O-N 2.85Å; V477-Q479 VanDerWaalsContact O-N 3.09Å
478	K	68.4	Low	65.5	Low	195 Å²	195	138.4 Å²	138.4	85%	0.848	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-56.6	116.3	166.5	-68.2	-178	178.8	-179.6	0	107.3	L476	L476-K478 PolarHBondContact O-N 3.4Å
479	Q	67.9	Low	68.2	Low	153 Å²	153	137.7 Å²	137.7	72%	0.715	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-62.4	140.3	174.6	-69.7	-163	-10	0	0	109.3	V477 R481	V477-Q479 PolarHBondContact O-N 2.85Å; V477-Q479 VanDerWaalsContact O-N 3.09Å; Q479-R481 PolarHBondContact O-N 2.84Å
480	P	78.5	Confident	71.1	Confident	100 Å²	100	132 Å²	132	65%	0.649	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-60.3	136.3	176.8	26	-34	0	0	0	109.8
481	R	83.4	Confident	73.7	Confident	130 Å²	130	132.4 Å²	132.4	49%	0.491	74%	0.737	S	S	.	*	S	Bend	trans	-71.7	-40.3	177.5	-72.2	175.8	57.2	176.1	16.4	111.3	D384 D385 Q479	D384-R481 VanDerWaalsContact O-CZ 3.24Å; D384-R481 PolarHBondContact O-NH1 2.91Å; D384-R481 PolarHBondContact O-NH2 2.88Å; D385-R481 VanDerWaalsContact CG-NH1 3.26Å; D385-R481 WeakPolarHBondContact OD1-CD 3.47Å; D385-R481 IonicContact OD1-CZ 2.72Å; D385-R481 IonicContact OD1-NE 2.63Å; D385-R481 PolarHBondContact OD1-NE 2.85Å; D385-R481 IonicContact OD1-NH1 2.71Å; D385-R481 PolarHBondContact OD1-NH1 3.36Å; D385-R481 WeakPolarHBondContact OD2-CB 3.43Å; D385-R481 WeakPolarHBondContact OD2-CD 3.46Å; D385-R481 IonicContact OD2-CZ 3.33Å; D385-R481 IonicContact OD2-NE 2.68Å; D385-R481 PolarHBondContact OD2-NE 2.88Å; D385-R481 IonicContact OD2-NH1 3.86Å; D385-R481 IonicContact OD2-NH2 3.1Å; D385-R481 PolarHBondContact OD2-NH2 3.37Å; Q479-R481 PolarHBondContact O-N 2.84Å
482	V	87.9	Confident	76.5	Confident	96 Å²	96	135.9 Å²	135.9	58%	0.582	73%	0.728	S	S	*	*			trans	-63.1	131.9	169.8	-179	0	0	0	0	110.5	F484	V482-F484 HydrophobicContact CG1-CE1 4.49Å; V482-F484 HydrophobicContact CG1-CZ 4.25Å
483	R	87.8	Confident	78.8	Confident	208 Å²	208	137 Å²	137	79%	0.785	74%	0.736	S	S	*	*			trans	-128	138.4	166.7	-64.2	179.7	179.5	174.3	-0.8	108.3
484	F	90.6	Very high	81.4	Confident	189 Å²	189	136 Å²	136	83%	0.829	73%	0.725	S	S	*	*			trans	-84.5	143	172.6	-58.2	-79.9	0	0	0	109.5	V482	V482-F484 HydrophobicContact CG1-CE1 4.49Å; V482-F484 HydrophobicContact CG1-CZ 4.25Å
485	S	91.4	Very high	83.5	Confident	91 Å²	91	135.4 Å²	135.4	64%	0.636	72%	0.718	S	S	*	*			trans	-65.5	138.5	173.3	-172.4	0	0	0	0	110	E487	S485-E487 WeakPolarHBondContact OG-CB 3.12Å; S485-E487 PolarHBondContact OG-N 3.25Å
486	S	91.6	Very high	85.5	Confident	125 Å²	125	133.3 Å²	133.3	87%	0.874	70%	0.703	S	S	*	*			trans	-101.7	9.6	170.9	64	0	0	0	0	112.5
487	E	93.3	Very high	87.5	Confident	149 Å²	149	130.1 Å²	130.1	70%	0.696	69%	0.691	S	S	*	*	S	Bend	trans	-77.7	154.1	172.7	-61.3	-179.2	146	0	0	110.2	S485 I489	S485-E487 WeakPolarHBondContact OG-CB 3.12Å; S485-E487 PolarHBondContact OG-N 3.25Å; E487-I489 PolarHBondContact O-N 2.9Å
488	P	93.1	Very high	89	Confident	121 Å²	121	130.9 Å²	130.9	79%	0.786	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-57.8	130.6	173.5	-22.8	34.2	0	0	0	111.2	L490	P488-L490 PolarHBondContact O-N 3.38Å
489	I	93.2	Very high	90.2	Very high	151 Å²	151	127.2 Å²	127.2	77%	0.774	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-62.9	127.5	176.9	-63.4	171.2	0	0	0	108.9	E487 V491	E487-I489 PolarHBondContact O-N 2.9Å; I489-V491 HydrophobicContact CG2-CG2 4.23Å; I489-V491 PolarHBondContact O-N 2.83Å; I489-V491 VanDerWaalsContact O-N 3.11Å
490	L	94.3	Very high	91.5	Very high	121 Å²	121	126 Å²	126	63%	0.634	68%	0.675	S	S	*	*			trans	-72.7	100.9	172.7	-61	-179.4	0	0	0	109.2	L324 P488 F492	L324-L490 HydrophobicContact CD1-CD1 4.45Å; P488-L490 PolarHBondContact O-N 3.38Å; L490-F492 HydrophobicContact CB-CE2 3.93Å; L490-F492 HydrophobicContact CB-CZ 3.98Å; L490-F492 HydrophobicContact CD1-CZ 4.19Å
491	V	94.1	Very high	92.1	Very high	131 Å²	131	126 Å²	126	79%	0.794	67%	0.67	S	S	*	*			trans	-91.9	102	175.2	-176.8	0	0	0	0	108.7	I489	I489-V491 HydrophobicContact CG2-CG2 4.23Å; I489-V491 PolarHBondContact O-N 2.83Å; I489-V491 VanDerWaalsContact O-N 3.11Å
492	F	94.3	Very high	92.6	Very high	158 Å²	158	125.3 Å²	125.3	69%	0.693	67%	0.668	S	S	*	*			trans	-78.6	139.3	174.6	-59.5	-78.7	0	0	0	110.7	L490	L490-F492 HydrophobicContact CB-CE2 3.93Å; L490-F492 HydrophobicContact CB-CZ 3.98Å; L490-F492 HydrophobicContact CD1-CZ 4.19Å
493	S	91.9	Very high	92.8	Very high	125 Å²	125	130.1 Å²	130.1	87%	0.874	68%	0.675	S	S	*	*			trans	-73	138.4	168.3	-167.2	0	0	0	0	110
494	T	94	Very high	92.9	Very high	103 Å²	103	124.3 Å²	124.3	63%	0.632	66%	0.66	S	S	*	*			trans	-118.7	162	168.4	-170.7	0	0	0	0	108.5	S496 R502	T494-S496 PolarHBondContact O-N 3.33Å; T494-R502 PolarHBondContact OG1-NH2 3.35Å
495	H	94.2	Very high	92.8	Very high	120 Å²	120	123.2 Å²	123.2	56%	0.556	66%	0.657	S	S	*	*			trans	-50.8	133.9	176	-58.9	-73	0	0	0	110.7	D499 Y500 R502	H495-D499 HydrophobicContact CB-CB 4.29Å; H495-Y500 HydrophobicContact CB-CD1 4.48Å; H495-R502 PolarHBondContact O-NH1 3.09Å; H495-R502 PolarHBondContact O-NH2 3.35Å
496	S	93	Very high	92.7	Very high	44 Å²	44	127.4 Å²	127.4	31%	0.308	67%	0.667	S	S	.	*			trans	-61.5	177.4	171.2	68	0	0	0	0	111	T494 T498 D499 Y500 R502	T494-S496 PolarHBondContact O-N 3.33Å; S496-T498 VanDerWaalsContact C-N 3.29Å; S496-T498 PolarHBondContact OG-N 3.06Å; S496-T498 PolarHBondContact OG-OG1 3.1Å; S496-D499 WeakPolarHBondContact OG-CB 3.42Å; S496-D499 PolarHBondContact OG-N 3.12Å; S496-D499 PolarHBondContact OG-OD1 2.63Å; S496-D499 PolarHBondContact OG-OD2 2.63Å; S496-Y500 PolarHBondContact O-N 3.01Å; S496-R502 PolarHBondContact O-NH1 2.76Å
497	T	93	Very high	92.5	Very high	115 Å²	115	127.1 Å²	127.1	71%	0.706	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-20.4	169.1	43.6	0	0	0	0	113.2
498	T	92.9	Very high	92.2	Very high	123 Å²	123	123 Å²	123	76%	0.755	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-38.4	173.7	55.7	0	0	0	0	111.6	S496	S496-T498 VanDerWaalsContact C-N 3.29Å; S496-T498 PolarHBondContact OG-N 3.06Å; S496-T498 PolarHBondContact OG-OG1 3.1Å
499	D	94.5	Very high	92.1	Very high	118 Å²	118	121.3 Å²	121.3	63%	0.631	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-30.8	-175	-53.9	3.9	0	0	0	111.2	H495 S496	H495-D499 HydrophobicContact CB-CB 4.29Å; S496-D499 WeakPolarHBondContact OG-CB 3.42Å; S496-D499 PolarHBondContact OG-N 3.12Å; S496-D499 PolarHBondContact OG-OD1 2.63Å; S496-D499 PolarHBondContact OG-OD2 2.63Å
500	Y	94.1	Very high	91.8	Very high	128 Å²	128	119.3 Å²	119.3	50%	0.502	62%	0.616	S	S	.	*	S	Bend	trans	-139.5	95.5	172.6	-179.8	-151.8	0	0	0	110.1	H495 S496 R502	H495-Y500 HydrophobicContact CB-CD1 4.48Å; S496-Y500 PolarHBondContact O-N 3.01Å; Y500-R502 HydrophobicContact CD1-CG 3.8Å; Y500-R502 HydrophobicContact CD2-CG 4.46Å; Y500-R502 HydrophobicContact CE1-CG 3.76Å; Y500-R502 HydrophobicContact CE2-CG 4.42Å; Y500-R502 HydrophobicContact CG-CG 4.16Å; Y500-R502 PolarHBondContact O-N 3.02Å; Y500-R502 PolarHBondContact O-NH1 2.94Å
501	N	91.1	Very high	91.4	Very high	100 Å²	100	114.3 Å²	114.3	54%	0.535	59%	0.591	S	S	.	*			trans	-63.6	117.7	168	-176.6	12.1	0	0	0	109.3	R503	N501-R503 VanDerWaalsContact OD1-CB 3.3Å; N501-R503 WeakPolarHBondContact OD1-CB 3Å; N501-R503 WeakPolarHBondContact OD1-CG 3.47Å; N501-R503 PolarHBondContact OD1-N 3.46Å
502	R	93.5	Very high	91.2	Very high	116 Å²	116	110.6 Å²	110.6	44%	0.438	57%	0.574	S	S	.	*			trans	-101.2	4.4	179.8	-66.3	165.7	-178	87.7	-20.6	112.7	T494 H495 S496 Y500	T494-R502 PolarHBondContact OG1-NH2 3.35Å; H495-R502 PolarHBondContact O-NH1 3.09Å; H495-R502 PolarHBondContact O-NH2 3.35Å; S496-R502 PolarHBondContact O-NH1 2.76Å; Y500-R502 HydrophobicContact CD1-CG 3.8Å; Y500-R502 HydrophobicContact CD2-CG 4.46Å; Y500-R502 HydrophobicContact CE1-CG 3.76Å; Y500-R502 HydrophobicContact CE2-CG 4.42Å; Y500-R502 HydrophobicContact CG-CG 4.16Å; Y500-R502 PolarHBondContact O-N 3.02Å; Y500-R502 PolarHBondContact O-NH1 2.94Å
503	R	92.5	Very high	91	Very high	196 Å²	196	106.6 Å²	106.6	74%	0.74	57%	0.566	S	S	*	*			trans	-72.3	142.5	170.6	-62.3	177.9	177.9	170.4	0.6	109.1	N501	N501-R503 VanDerWaalsContact OD1-CB 3.3Å; N501-R503 WeakPolarHBondContact OD1-CB 3Å; N501-R503 WeakPolarHBondContact OD1-CG 3.47Å; N501-R503 PolarHBondContact OD1-N 3.46Å
504	N	90.7	Very high	90.9	Very high	87 Å²	87	101.5 Å²	101.5	47%	0.465	53%	0.531	S	S	.	.			trans	-128.3	115.1	166.1	-175	-17.3	0	0	0	107.6	E506 I507	N504-E506 VanDerWaalsContact OD1-CB 3.28Å; N504-E506 WeakPolarHBondContact OD1-CB 3.3Å; N504-E506 PolarHBondContact OD1-N 2.93Å; N504-I507 HydrophobicContact CB-CD1 4.06Å; N504-I507 HydrophobicContact CB-CG1 4.36Å
505	E	89.1	Confident	90.7	Very high	165 Å²	165	99.4 Å²	99.4	77%	0.771	51%	0.514	S	S	*	.	S	Bend	trans	-97.6	-3.5	-177.5	-65.7	173.4	-162.4	0	0	112	I507	E505-I507 VanDerWaalsContact C-N 3.34Å
506	E	88	Confident	90.6	Very high	180 Å²	180	99.3 Å²	99.3	84%	0.841	51%	0.51	S	S	*	.	S	Bend	trans	-79.9	-16.4	175.7	-51.1	178	157.5	0	0	112.3	N504 D508	N504-E506 VanDerWaalsContact OD1-CB 3.28Å; N504-E506 WeakPolarHBondContact OD1-CB 3.3Å; N504-E506 PolarHBondContact OD1-N 2.93Å; E506-D508 PolarHBondContact O-N 3.26Å
507	I	88.2	Confident	90.5	Very high	119 Å²	119	101.5 Å²	101.5	61%	0.61	52%	0.515	S	S	*	.			trans	-82.9	97.5	179.6	-56.8	174.5	0	0	0	109.7	N504 E505 P509	N504-I507 HydrophobicContact CB-CD1 4.06Å; N504-I507 HydrophobicContact CB-CG1 4.36Å; E505-I507 VanDerWaalsContact C-N 3.34Å; I507-P509 HydrophobicContact CG2-CG 4.41Å; I507-P509 WeakPolarHBondContact O-CD 3.24Å
508	D	87.3	Confident	90.4	Very high	62 Å²	62	96.8 Å²	96.8	33%	0.332	49%	0.486	S	S	.	.			trans	-103.7	103.4	164.3	-177.5	-5.6	0	0	0	111.1	E506 L510 S511 A512	E506-D508 PolarHBondContact O-N 3.26Å; D508-L510 PolarHBondContact O-N 2.99Å; D508-L510 WeakPolarHBondContact OD1-CA 3.12Å; D508-L510 VanDerWaalsContact OD1-CB 3.28Å; D508-L510 WeakPolarHBondContact OD1-CB 3.48Å; D508-L510 PolarHBondContact OD1-N 3.25Å; D508-S511 VanDerWaalsContact CG-CB 3.49Å; D508-S511 PolarHBondContact O-N 3.22Å; D508-S511 PolarHBondContact OD1-N 2.9Å; D508-S511 WeakPolarHBondContact OD2-CB 3.33Å; D508-A512 PolarHBondContact O-N 2.94Å
509	P	89.7	Confident	90.4	Very high	85 Å²	85	95.5 Å²	95.5	55%	0.552	47%	0.471	S	S	*	.	H	α-helix	trans	-64.5	-22.8	176.8	-21.7	34.2	0	0	0	114.5	I507 S513	I507-P509 HydrophobicContact CG2-CG 4.41Å; I507-P509 WeakPolarHBondContact O-CD 3.24Å; P509-S513 WeakPolarHBondContact O-CB 3.36Å; P509-S513 PolarHBondContact O-N 3.41Å; P509-S513 PolarHBondContact O-OG 3.01Å
510	L	86.4	Confident	90.3	Very high	110 Å²	110	93.6 Å²	93.6	58%	0.576	46%	0.457	S	S	*	.	H	α-helix	trans	-76.6	-45.4	177.6	-57.6	176.1	0	0	0	110.3	D508 S513 A514	D508-L510 PolarHBondContact O-N 2.99Å; D508-L510 WeakPolarHBondContact OD1-CA 3.12Å; D508-L510 VanDerWaalsContact OD1-CB 3.28Å; D508-L510 WeakPolarHBondContact OD1-CB 3.48Å; D508-L510 PolarHBondContact OD1-N 3.25Å; L510-S513 PolarHBondContact O-N 3.31Å; L510-A514 WeakPolarHBondContact O-CB 3.4Å; L510-A514 PolarHBondContact O-N 3.04Å
511	S	87	Confident	89.9	Confident	16 Å²	16	92.1 Å²	92.1	11%	0.112	46%	0.455	C	S	.	.	H	α-helix	trans	-56.8	-53.8	173.6	-167.1	0	0	0	0	110.6	D508 S513 A514 E515 K556	D508-S511 VanDerWaalsContact CG-CB 3.49Å; D508-S511 PolarHBondContact O-N 3.22Å; D508-S511 PolarHBondContact OD1-N 2.9Å; D508-S511 WeakPolarHBondContact OD2-CB 3.33Å; S511-S513 PolarHBondContact O-N 2.93Å; S511-A514 PolarHBondContact O-N 3.04Å; S511-E515 PolarHBondContact O-N 3.46Å; S511-E515 VanDerWaalsContact O-N 3.08Å; S511-K556 WeakPolarHBondContact OG-CE 3.27Å; S511-K556 PolarHBondContact OG-NZ 3.33Å
512	A	90	Very high	90	Very high	52 Å²	52	88.3 Å²	88.3	43%	0.43	43%	0.434	S	S	.	.	H	α-helix	trans	-64.4	-37.3	178.8	0	0	0	0	0	113.5	D508 A514 E515 Y516	D508-A512 PolarHBondContact O-N 2.94Å; A512-A514 VanDerWaalsContact C-N 3.31Å; A512-A514 PolarHBondContact O-N 3.14Å; A512-E515 PolarHBondContact O-N 2.91Å; A512-Y516 WeakPolarHBondContact O-CB 3.47Å; A512-Y516 PolarHBondContact O-N 2.94Å
513	S	90.5	Very high	89.7	Confident	74 Å²	74	90.1 Å²	90.1	52%	0.517	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-33	175.5	-63.7	0	0	0	0	112.6	P509 L510 S511 E517	P509-S513 WeakPolarHBondContact O-CB 3.36Å; P509-S513 PolarHBondContact O-N 3.41Å; P509-S513 PolarHBondContact O-OG 3.01Å; L510-S513 PolarHBondContact O-N 3.31Å; S511-S513 PolarHBondContact O-N 2.93Å; S513-E517 PolarHBondContact O-N 3.37Å
514	A	88.6	Confident	89.5	Confident	18 Å²	18	86.7 Å²	86.7	15%	0.149	44%	0.444	C	S	.	.	H	α-helix	trans	-75	-31.7	177.4	0	0	0	0	0	112.4	L510 S511 A512 L518 T550 K556	L510-A514 WeakPolarHBondContact O-CB 3.4Å; L510-A514 PolarHBondContact O-N 3.04Å; S511-A514 PolarHBondContact O-N 3.04Å; A512-A514 VanDerWaalsContact C-N 3.31Å; A512-A514 PolarHBondContact O-N 3.14Å; A514-L518 WeakPolarHBondContact O-CD1 3.46Å; A514-L518 WeakPolarHBondContact O-CG 3.41Å; A514-T550 HydrophobicContact CB-CG2 4.38Å; A514-K556 HydrophobicContact CB-CB 4.04Å; A514-K556 HydrophobicContact CB-CG 3.93Å
515	E	90.9	Very high	89.5	Confident	59 Å²	59	83.6 Å²	83.6	28%	0.276	43%	0.427	S	S	.	.	H	α-helix	trans	-68.4	-51.2	170.2	-68.2	175	152.3	0	0	111.2	S511 A512 E517 L518 E519 K556	S511-E515 PolarHBondContact O-N 3.46Å; S511-E515 VanDerWaalsContact O-N 3.08Å; A512-E515 PolarHBondContact O-N 2.91Å; E515-E517 PolarHBondContact O-N 3.37Å; E515-L518 WeakPolarHBondContact O-CA 3.29Å; E515-L518 WeakPolarHBondContact O-CB 3.26Å; E515-L518 PolarHBondContact O-N 3.39Å; E515-E519 PolarHBondContact O-N 2.97Å; E515-K556 HydrophobicContact CG-CD 3.74Å; E515-K556 HydrophobicContact CG-CG 4.32Å; E515-K556 WeakPolarHBondContact OE1-CE 3.45Å; E515-K556 IonicContact OE1-NZ 2.78Å; E515-K556 PolarHBondContact OE1-NZ 3.25Å
516	Y	92.1	Very high	89.7	Confident	118 Å²	118	79.7 Å²	79.7	46%	0.463	41%	0.412	S	S	.	.	H	α-helix	trans	-57.1	-41.9	-177.9	176.8	-98.4	0	0	0	113.7	A512 L518 E519 K520	A512-Y516 WeakPolarHBondContact O-CB 3.47Å; A512-Y516 PolarHBondContact O-N 2.94Å; Y516-L518 PolarHBondContact O-N 2.91Å; Y516-E519 PolarHBondContact O-N 3.29Å; Y516-K520 HydrophobicContact CE1-CD 4.04Å; Y516-K520 WeakPolarHBondContact O-CB 3.24Å; Y516-K520 PolarHBondContact O-N 3.08Å
517	E	90.7	Very high	90	Very high	90 Å²	90	76 Å²	76	42%	0.421	40%	0.396	S	S	.	.	H	α-helix	trans	-70.7	-15.4	176.8	-70.9	-71.1	135.5	0	0	113.4	S513 E515 K520 H521	S513-E517 PolarHBondContact O-N 3.37Å; E515-E517 PolarHBondContact O-N 3.37Å; E517-K520 IonicContact OE1-NZ 3.99Å; E517-K520 PolarHBondContact OE1-NZ 3.14Å; E517-K520 IonicContact OE2-NZ 3.69Å; E517-K520 PolarHBondContact OE2-NZ 3.4Å; E517-H521 PolarHBondContact O-CD2 3Å
518	L	91.2	Very high	90.3	Very high	17 Å²	17	73.3 Å²	73.3	9%	0.089	38%	0.379	C	S	.	.	H	α-helix	trans	-86.3	-40.7	169.9	-63.9	169	0	0	0	111.8	A514 E515 Y516 H521 K556 V591	A514-L518 WeakPolarHBondContact O-CD1 3.46Å; A514-L518 WeakPolarHBondContact O-CG 3.41Å; E515-L518 WeakPolarHBondContact O-CA 3.29Å; E515-L518 WeakPolarHBondContact O-CB 3.26Å; E515-L518 PolarHBondContact O-N 3.39Å; Y516-L518 PolarHBondContact O-N 2.91Å; L518-H521 PolarHBondContact O-N 2.81Å; L518-K556 HydrophobicContact CD1-CB 4.15Å; L518-K556 WeakPolarHBondContact CD1-O 3.45Å; L518-V591 HydrophobicContact CB-CG1 3.95Å
519	E	92.6	Very high	90.7	Very high	95 Å²	95	77.1 Å²	77.1	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-61.2	-47.3	175.4	-68.1	-179.8	147.2	0	0	111.5	E515 Y516 H521 L522 V591	E515-E519 PolarHBondContact O-N 2.97Å; Y516-E519 PolarHBondContact O-N 3.29Å; E519-H521 PolarHBondContact O-N 3.3Å; E519-H521 VanDerWaalsContact O-N 3.12Å; E519-L522 WeakPolarHBondContact O-CB 3.32Å; E519-L522 WeakPolarHBondContact O-CG 3.49Å; E519-L522 PolarHBondContact O-N 3.05Å; E519-V591 HydrophobicContact CG-CB 4.46Å; E519-V591 HydrophobicContact CG-CG1 3.77Å
520	K	91.6	Very high	91	Very high	79 Å²	79	73.1 Å²	73.1	34%	0.343	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-55.6	-25.7	175.7	174.5	-176.7	163.8	-154.4	0	114.1	Y516 E517 L522 E523	Y516-K520 HydrophobicContact CE1-CD 4.04Å; Y516-K520 WeakPolarHBondContact O-CB 3.24Å; Y516-K520 PolarHBondContact O-N 3.08Å; E517-K520 IonicContact OE1-NZ 3.99Å; E517-K520 PolarHBondContact OE1-NZ 3.14Å; E517-K520 IonicContact OE2-NZ 3.69Å; E517-K520 PolarHBondContact OE2-NZ 3.4Å; K520-L522 PolarHBondContact O-N 3.18Å; K520-E523 PolarHBondContact O-N 3.48Å
521	H	87	Confident	91.4	Very high	96 Å²	96	72.7 Å²	72.7	44%	0.444	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-72.2	-16.4	174.3	-82.3	-45.9	0	0	0	113.5	E517 L518 E519 E523	E517-H521 PolarHBondContact O-CD2 3Å; L518-H521 PolarHBondContact O-N 2.81Å; E519-H521 PolarHBondContact O-N 3.3Å; E519-H521 VanDerWaalsContact O-N 3.12Å; H521-E523 VanDerWaalsContact C-N 3.35Å
522	L	91.3	Very high	91.8	Very high	21 Å²	21	72.1 Å²	72.1	11%	0.11	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-73.5	-25.4	175.5	-60.7	174.9	0	0	0	112.8	E519 K520 D524 M525 M527 V583 V591 A614	E519-L522 WeakPolarHBondContact O-CB 3.32Å; E519-L522 WeakPolarHBondContact O-CG 3.49Å; E519-L522 PolarHBondContact O-N 3.05Å; K520-L522 PolarHBondContact O-N 3.18Å; L522-D524 PolarHBondContact O-N 3.07Å; L522-M525 HydrophobicContact CD2-SD 4.2Å; L522-M525 PolarHBondContact O-N 2.99Å; L522-M527 HydrophobicContact CB-SD 4.48Å; L522-V583 HydrophobicContact CD1-CG1 3.81Å; L522-V583 HydrophobicContact CD1-CG2 4.21Å; L522-V583 HydrophobicContact CD2-CG2 3.77Å; L522-V591 HydrophobicContact CD1-CG2 3.93Å; L522-A614 HydrophobicContact CD2-CB 3.8Å
523	E	89	Confident	91.9	Very high	154 Å²	154	77.6 Å²	77.6	72%	0.72	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-58.5	-29.4	178.9	-62.5	-178.3	-168.9	0	0	112.9	K520 H521	K520-E523 PolarHBondContact O-N 3.48Å; H521-E523 VanDerWaalsContact C-N 3.35Å
524	D	86.7	Confident	92	Very high	124 Å²	124	76.9 Å²	76.9	66%	0.663	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-86.8	-13.5	178	-78.3	-44.4	0	0	0	113.4	L522 K617	L522-D524 PolarHBondContact O-N 3.07Å; D524-K617 PolarHBondContact O-NZ 2.68Å
525	M	90.7	Very high	92.1	Very high	22 Å²	22	77.4 Å²	77.4	11%	0.108	37%	0.368	C	S	.	.	S	Bend	trans	-94.7	162.2	-173.8	-61.4	-176.8	81.7	0	0	112.5	L522 Q581 A614 E616	L522-M525 HydrophobicContact CD2-SD 4.2Å; L522-M525 PolarHBondContact O-N 2.99Å; M525-Q581 HydrophobicContact CE-CB 4.36Å; M525-A614 HydrophobicContact CB-CB 4.03Å; M525-A614 HydrophobicContact CE-CB 4.2Å; M525-A614 HydrophobicContact SD-CB 4.13Å; M525-E616 HydrophobicContact CE-CB 4.22Å
526	D	93.2	Very high	91.9	Very high	83 Å²	83	81.8 Å²	81.8	44%	0.444	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113.2	172.3	-66.6	-24	0	0	0	109.4	A614 R615 K617	D526-A614 WeakPolarHBondContact O-CA 3.4Å; D526-R615 PolarHBondContact N-O 3.16Å; D526-R615 PolarHBondContact O-N 2.94Å; D526-K617 WeakPolarHBondContact OD1-CE 3.48Å; D526-K617 IonicContact OD1-NZ 3.67Å; D526-K617 PolarHBondContact OD1-NZ 2.68Å; D526-K617 WeakPolarHBondContact OD2-CG 3.49Å
527	M	94.3	Very high	91.7	Very high	103 Å²	103	83 Å²	83	51%	0.507	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	141.2	-179.9	-66.3	-179.9	65.9	0	0	112	L522 V583 V612 I613 A614	L522-M527 HydrophobicContact CB-SD 4.48Å; M527-V583 HydrophobicContact CE-CG1 4.19Å; M527-V612 HydrophobicContact CE-CG1 3.6Å; M527-I613 CarbonylContact C-O 3.52Å; M527-I613 WeakPolarHBondContact CA-O 3.37Å; M527-A614 HydrophobicContact CG-CB 4.05Å
528	F	95.6	Very high	91.8	Very high	61 Å²	61	79.9 Å²	79.9	27%	0.268	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	147.1	177.3	60.7	-73.5	0	0	0	112.5	I530 I613 R615	F528-I530 HydrophobicContact CD2-CD1 4.08Å; F528-I530 HydrophobicContact CD2-CG1 3.89Å; F528-I530 HydrophobicContact CE2-CD1 3.57Å; F528-I530 HydrophobicContact CE2-CG1 3.92Å; F528-I530 HydrophobicContact CZ-CD1 4.41Å; F528-I613 HydrophobicContact CD1-CB 4.45Å; F528-I613 HydrophobicContact CE1-CB 3.99Å; F528-I613 HydrophobicContact CE1-CG2 3.67Å; F528-I613 HydrophobicContact CE2-CB 4.23Å; F528-I613 HydrophobicContact CE2-CG2 4.33Å; F528-I613 HydrophobicContact CZ-CB 3.86Å; F528-I613 HydrophobicContact CZ-CG2 3.53Å; F528-I613 PolarHBondContact N-O 3.12Å; F528-I613 PolarHBondContact O-N 2.75Å; F528-R615 HydrophobicContact CE1-CB 3.94Å
529	E	96.3	Very high	91.9	Very high	142 Å²	142	80 Å²	80	66%	0.664	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	145.7	179.9	-73.2	168.9	-153.9	0	0	112.2	H610 F611 V612	E529-H610 IonicContact OE2-CE1 3.47Å; E529-H610 IonicContact OE2-NE2 3.47Å; E529-F611 CarbonylContact C-O 3.55Å; E529-F611 WeakPolarHBondContact CA-O 3.44Å; E529-V612 HydrophobicContact CG-CG2 4.22Å
530	I	95.6	Very high	91.9	Very high	1 Å²	1	75.9 Å²	75.9	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	105.4	-179.9	-45.3	-180	0	0	0	110.1	F528 F532 R575 I576 F611 I613	F528-I530 HydrophobicContact CD2-CD1 4.08Å; F528-I530 HydrophobicContact CD2-CG1 3.89Å; F528-I530 HydrophobicContact CE2-CD1 3.57Å; F528-I530 HydrophobicContact CE2-CG1 3.92Å; F528-I530 HydrophobicContact CZ-CD1 4.41Å; I530-F532 HydrophobicContact CG2-CB 4.27Å; I530-F532 PolarHBondContact O-N 3.05Å; I530-R575 HydrophobicContact CD1-CB 4.23Å; I530-I576 HydrophobicContact CD1-CD1 4.41Å; I530-I576 HydrophobicContact CD1-CG1 3.58Å; I530-F611 HydrophobicContact CB-CB 4.25Å; I530-F611 PolarHBondContact N-O 2.89Å; I530-F611 PolarHBondContact O-N 3.46Å; I530-I613 HydrophobicContact CD1-CB 4.26Å; I530-I613 HydrophobicContact CD1-CG1 3.55Å; I530-I613 HydrophobicContact CG1-CG1 4.16Å
531	D	95	Very high	92.1	Very high	101 Å²	101	73.6 Å²	73.6	54%	0.54	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	113.1	157.8	-72.2	-11.5	0	0	0	108.7	R575 H610	D531-R575 PolarHBondContact O-NH1 3.46Å; D531-R575 PolarHBondContact O-NH2 2.82Å; D531-H610 IonicContact OD1-CE1 3.4Å; D531-H610 IonicContact OD1-CG 3.71Å; D531-H610 IonicContact OD1-ND1 2.68Å; D531-H610 PolarHBondContact OD1-ND1 3.43Å
532	F	94	Very high	92.5	Very high	5 Å²	5	71.2 Å²	71.2	2%	0.022	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146	-173.7	179.4	-97.5	0	0	0	111.1	I530 L539 A569 A570 D573 I576 I608 I609 F611	I530-F532 HydrophobicContact CG2-CB 4.27Å; I530-F532 PolarHBondContact O-N 3.05Å; F532-L539 HydrophobicContact CD1-CD2 4.31Å; F532-L539 HydrophobicContact CE1-CB 4.42Å; F532-L539 HydrophobicContact CE1-CD2 3.86Å; F532-A569 HydrophobicContact CE1-CB 4.3Å; F532-A569 HydrophobicContact CE2-CB 4.35Å; F532-A569 HydrophobicContact CZ-CB 3.58Å; F532-A570 HydrophobicContact CE2-CB 4.3Å; F532-A570 HydrophobicContact CZ-CB 4.22Å; F532-D573 HydrophobicContact CD2-CB 4.22Å; F532-D573 HydrophobicContact CE2-CB 3.89Å; F532-I576 HydrophobicContact CD2-CD1 3.79Å; F532-I576 HydrophobicContact CE2-CD1 4.06Å; F532-I576 HydrophobicContact CG-CD1 4.25Å; F532-I608 CarbonylContact O-C 3.53Å; F532-I608 WeakPolarHBondContact O-CA 3Å; F532-I609 HydrophobicContact CD1-CD1 4.23Å; F532-I609 PolarHBondContact N-O 3.39Å; F532-I609 PolarHBondContact O-N 3.39Å; F532-F611 HydrophobicContact CB-CD2 3.7Å; F532-F611 HydrophobicContact CB-CE2 3.8Å; F532-F611 AromaticContact CD1-CE2 3.78Å; F532-F611 HydrophobicContact CD1-CE2 3.78Å; F532-F611 HydrophobicContact CG-CD2 4.31Å; F532-F611 AromaticContact CG-CE2 3.99Å; F532-F611 HydrophobicContact CG-CE2 3.99Å
533	R	93.3	Very high	92.6	Very high	167 Å²	167	71.4 Å²	71.4	63%	0.63	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.1	179.9	-165.6	179.9	-178.1	-163.2	1.9	111.8	G535 E607	R533-G535 PolarHBondContact O-N 3.36Å; R533-E607 CarbonylContact C-O 3.56Å; R533-E607 WeakPolarHBondContact CA-O 3.49Å; R533-E607 HydrophobicContact CG-CG 4.33Å; R533-E607 IonicContact CZ-OE1 2.63Å; R533-E607 IonicContact NE-OE1 2.71Å; R533-E607 PolarHBondContact NE-OE1 2.98Å; R533-E607 IonicContact NH2-OE1 3.91Å; R533-E607 PolarHBondContact NH2-OE1 3.37Å
534	K	92.1	Very high	92.7	Very high	58 Å²	58	64.8 Å²	64.8	25%	0.252	34%	0.344	S	S	.	.			trans	-60.5	124.2	177.2	-160.5	162.1	-174.6	161.8	0	110	L539 Q603 T605 G606 E607 I609	K534-L539 HydrophobicContact CD-CD2 4.44Å; K534-L539 HydrophobicContact CG-CD2 4.07Å; K534-Q603 PolarHBondContact NZ-O 3.44Å; K534-T605 PolarHBondContact NZ-O 2.91Å; K534-T605 PolarHBondContact NZ-OG1 2.54Å; K534-G606 WeakPolarHBondContact CD-O 3.3Å; K534-E607 PolarHBondContact N-O 2.67Å; K534-I609 HydrophobicContact CB-CD1 4.11Å; K534-I609 HydrophobicContact CD-CD1 4.22Å; K534-I609 HydrophobicContact CG-CD1 4.42Å
535	G	90.2	Very high	93	Very high	30 Å²	30	59.4 Å²	59.4	31%	0.309	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-80.7	171.7	177.8	0	0	0	0	0	112.8	R533 N537 G538	R533-G535 PolarHBondContact O-N 3.36Å; G535-N537 PolarHBondContact O-N 3.26Å; G535-G538 WeakPolarHBondContact CA-O 3.07Å; G535-G538 PolarHBondContact N-O 3.35Å; G535-G538 WeakPolarHBondContact O-CA 3.34Å; G535-G538 PolarHBondContact O-N 3.31Å
536	V	87.9	Confident	92.9	Very high	151 Å²	151	60 Å²	60	92%	0.915	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-26	174.7	-66.2	0	0	0	0	113.2
537	N	87.5	Confident	92.5	Very high	143 Å²	143	58 Å²	58	77%	0.765	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	20.9	174.3	-61.5	-5	0	0	0	111.9	G535	G535-N537 PolarHBondContact O-N 3.26Å
538	G	91.6	Very high	91.7	Very high	24 Å²	24	56.3 Å²	56.3	25%	0.247	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	76.8	-147.3	-172	0	0	0	0	0	113.1	G535	G535-G538 WeakPolarHBondContact CA-O 3.07Å; G535-G538 PolarHBondContact N-O 3.35Å; G535-G538 WeakPolarHBondContact O-CA 3.34Å; G535-G538 PolarHBondContact O-N 3.31Å
539	L	94.2	Very high	90.7	Very high	19 Å²	19	58.3 Å²	58.3	10%	0.099	33%	0.333	C	S	.	.			trans	-75.1	-35.4	-173.5	-52.3	-179.5	0	0	0	113.2	F532 K534 I541 A570 L602 I609 F611	F532-L539 HydrophobicContact CD1-CD2 4.31Å; F532-L539 HydrophobicContact CE1-CB 4.42Å; F532-L539 HydrophobicContact CE1-CD2 3.86Å; K534-L539 HydrophobicContact CD-CD2 4.44Å; K534-L539 HydrophobicContact CG-CD2 4.07Å; L539-I541 HydrophobicContact CB-CD1 4.35Å; L539-I541 HydrophobicContact CB-CG1 3.95Å; L539-I541 HydrophobicContact CD1-CD1 3.83Å; L539-I541 HydrophobicContact CD1-CG1 4.08Å; L539-A570 WeakPolarHBondContact O-CB 3.36Å; L539-A570 PolarHBondContact O-N 2.98Å; L539-L602 HydrophobicContact CD1-CB 4.13Å; L539-L602 HydrophobicContact CD1-CD2 3.95Å; L539-I609 HydrophobicContact CD2-CD1 3.26Å; L539-F611 HydrophobicContact CD1-CZ 4.43Å
540	G	93.7	Very high	89.4	Confident	9 Å²	9	52.4 Å²	52.4	9%	0.093	31%	0.306	C	S	.	.			trans	72.4	30.6	-170.1	0	0	0	0	0	113.9	L564 T565	G540-L564 WeakPolarHBondContact O-CA 3.45Å; G540-T565 WeakPolarHBondContact CA-OG1 3.37Å; G540-T565 PolarHBondContact O-N 3.45Å
541	I	95	Very high	87.9	Confident	31 Å²	31	56.1 Å²	56.1	16%	0.159	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148	173.5	70.1	-177.7	0	0	0	110.6	L539 I543 I561 L564 A570 I576 I582 L602	L539-I541 HydrophobicContact CB-CD1 4.35Å; L539-I541 HydrophobicContact CB-CG1 3.95Å; L539-I541 HydrophobicContact CD1-CD1 3.83Å; L539-I541 HydrophobicContact CD1-CG1 4.08Å; I541-I543 HydrophobicContact CD1-CG2 4.48Å; I541-I561 HydrophobicContact CG2-CD1 4.49Å; I541-L564 HydrophobicContact CG2-CD2 3.92Å; I541-A570 HydrophobicContact CG2-CB 3.38Å; I541-I576 HydrophobicContact CG2-CG2 4.46Å; I541-I582 HydrophobicContact CD1-CD1 3.95Å; I541-L602 HydrophobicContact CD1-CD1 4.47Å; I541-L602 HydrophobicContact CD1-CD2 4.29Å
542	S	94.3	Very high	86.4	Confident	46 Å²	46	54.6 Å²	54.6	32%	0.322	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138	167.1	-175	0	0	0	0	109.2	I561 K562 S563	S542-I561 CarbonylContact O-C 3.58Å; S542-I561 WeakPolarHBondContact O-CA 3.4Å; S542-K562 PolarHBondContact O-N 2.77Å; S542-S563 VanDerWaalsContact CB-OG 3.32Å; S542-S563 WeakPolarHBondContact CB-OG 3.34Å; S542-S563 PolarHBondContact N-O 2.82Å
543	I	94.4	Very high	85.2	Confident	25 Å²	25	57.3 Å²	57.3	13%	0.128	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	151.6	-176.5	61.3	159.3	0	0	0	113.1	I541 I559 F560 I582 Q595 A598 A599 L602	I541-I543 HydrophobicContact CD1-CG2 4.48Å; I543-I559 HydrophobicContact CB-CG2 4.01Å; I543-I559 HydrophobicContact CD1-CG2 3.94Å; I543-I559 HydrophobicContact CG2-CG2 4.06Å; I543-F560 CarbonylContact C-O 3.54Å; I543-F560 VanDerWaalsContact CA-O 3.3Å; I543-F560 WeakPolarHBondContact CA-O 3.42Å; I543-I582 HydrophobicContact CG2-CD1 3.93Å; I543-Q595 HydrophobicContact CD1-CG 4.22Å; I543-Q595 PolarHBondContact O-NE2 2.95Å; I543-Q595 VanDerWaalsContact O-NE2 3.12Å; I543-A598 HydrophobicContact CD1-CB 4.02Å; I543-A599 HydrophobicContact CD1-CB 4.47Å; I543-L602 HydrophobicContact CD1-CD1 4Å; I543-L602 HydrophobicContact CG2-CD1 3.83Å
544	V	92	Very high	84.3	Confident	15 Å²	15	53.1 Å²	53.1	9%	0.091	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.1	167.7	70.3	0	0	0	0	109.7	F560 K562 L628	V544-F560 HydrophobicContact CG1-CB 3.98Å; V544-F560 PolarHBondContact N-O 2.91Å; V544-F560 PolarHBondContact O-N 2.93Å; V544-K562 HydrophobicContact CB-CB 4.28Å; V544-K562 HydrophobicContact CG1-CB 4.46Å; V544-L628 HydrophobicContact CB-CD2 4.32Å; V544-L628 HydrophobicContact CG1-CD1 3.87Å; V544-L628 HydrophobicContact CG1-CD2 3.81Å; V544-L628 HydrophobicContact CG1-CG 4.02Å
545	G	92.1	Very high	84	Confident	11 Å²	11	53.6 Å²	53.6	11%	0.113	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.9	165.5	0	0	0	0	0	111.6
546	S	88.7	Confident	84	Confident	34 Å²	34	53.2 Å²	53.2	24%	0.238	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	122.8	170.5	173.7	0	0	0	0	110	S558	S546-S558 PolarHBondContact N-O 2.96Å; S546-S558 PolarHBondContact O-N 3.39Å
547	G	85.7	Confident	84.2	Confident	41 Å²	41	46.5 Å²	46.5	42%	0.423	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-136.3	-176.5	0	0	0	0	0	111.5	K556	G547-K556 CarbonylContact C-O 3.56Å; G547-K556 WeakPolarHBondContact CA-O 3.44Å
548	V	76.3	Confident	84.5	Confident	69 Å²	69	39.9 Å²	39.9	42%	0.418	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.5	-174.7	-179.1	0	0	0	0	110.7	K556	V548-K556 PolarHBondContact N-O 2.95Å; V548-K556 PolarHBondContact O-N 3.13Å
549	D	75.3	Confident	84.7	Confident	103 Å²	103	38.7 Å²	38.7	55%	0.551	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.5	163.4	-55.6	-53	0	0	0	108.7	Q555	D549-Q555 WeakPolarHBondContact OD1-CG 3.4Å; D549-Q555 PolarHBondContact OD1-NE2 3.3Å
550	T	69.3	Low	84.8	Confident	17 Å²	17	38.3 Å²	38.3	10%	0.104	25%	0.248	C	C	.	.			trans	-79.1	161	175.7	66	0	0	0	0	111.1	A514 S552 G553 E554 K556	A514-T550 HydrophobicContact CB-CG2 4.38Å; T550-S552 PolarHBondContact O-N 3.27Å; T550-S552 PolarHBondContact OG1-OG 3.4Å; T550-G553 PolarHBondContact O-N 3.31Å; T550-E554 WeakPolarHBondContact CB-O 3.35Å; T550-E554 PolarHBondContact N-O 2.92Å; T550-E554 PolarHBondContact OG1-N 2.93Å; T550-E554 PolarHBondContact OG1-O 2.86Å; T550-K556 HydrophobicContact CG2-CG 3.84Å
551	S	63.9	Low	84.8	Confident	79 Å²	79	37.9 Å²	37.9	55%	0.552	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.8	-178.1	49.6	0	0	0	0	114.9	G553	S551-G553 VanDerWaalsContact C-N 3.28Å
552	S	63.3	Low	84.7	Confident	70 Å²	70	38.3 Å²	38.3	49%	0.49	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.8	169.1	60.2	0	0	0	0	112.4	T550 E554	T550-S552 PolarHBondContact O-N 3.27Å; T550-S552 PolarHBondContact OG1-OG 3.4Å; S552-E554 PolarHBondContact OG-N 2.84Å
553	G	69.1	Low	84.7	Confident	61 Å²	61	38.1 Å²	38.1	63%	0.629	24%	0.244	S	C	*	.	S	Bend	trans	97.9	-0.4	-169.8	0	0	0	0	0	113.8	T550 S551	T550-G553 PolarHBondContact O-N 3.31Å; S551-G553 VanDerWaalsContact C-N 3.28Å
554	E	74.5	Confident	84.7	Confident	80 Å²	80	38.9 Å²	38.9	37%	0.374	25%	0.248	S	C	.	.			trans	-78.5	135.2	173.4	-64.6	-174.4	176	0	0	111	T550 S552	T550-E554 WeakPolarHBondContact CB-O 3.35Å; T550-E554 PolarHBondContact N-O 2.92Å; T550-E554 PolarHBondContact OG1-N 2.93Å; T550-E554 PolarHBondContact OG1-O 2.86Å; S552-E554 PolarHBondContact OG-N 2.84Å
555	Q	84.3	Confident	84.8	Confident	67 Å²	67	41.9 Å²	41.9	31%	0.313	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.1	-178.3	-50.5	-166	-68.5	0	0	109.9	D549 L557 V593	D549-Q555 WeakPolarHBondContact OD1-CG 3.4Å; D549-Q555 PolarHBondContact OD1-NE2 3.3Å; Q555-L557 HydrophobicContact CB-CD1 3.89Å; Q555-L557 HydrophobicContact CB-CD2 4.18Å; Q555-L557 HydrophobicContact CB-CG 3.88Å; Q555-V593 CarbonylContact O-C 3.58Å
556	K	90.9	Very high	84.8	Confident	22 Å²	22	46.1 Å²	46.1	10%	0.096	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	105.7	171.5	-58.8	-59.4	-170	174.9	0	108.1	S511 A514 E515 L518 G547 V548 T550 G592	S511-K556 WeakPolarHBondContact OG-CE 3.27Å; S511-K556 PolarHBondContact OG-NZ 3.33Å; A514-K556 HydrophobicContact CB-CB 4.04Å; A514-K556 HydrophobicContact CB-CG 3.93Å; E515-K556 HydrophobicContact CG-CD 3.74Å; E515-K556 HydrophobicContact CG-CG 4.32Å; E515-K556 WeakPolarHBondContact OE1-CE 3.45Å; E515-K556 IonicContact OE1-NZ 2.78Å; E515-K556 PolarHBondContact OE1-NZ 3.25Å; L518-K556 HydrophobicContact CD1-CB 4.15Å; L518-K556 WeakPolarHBondContact CD1-O 3.45Å; G547-K556 CarbonylContact C-O 3.56Å; G547-K556 WeakPolarHBondContact CA-O 3.44Å; V548-K556 PolarHBondContact N-O 2.95Å; V548-K556 PolarHBondContact O-N 3.13Å; T550-K556 HydrophobicContact CG2-CG 3.84Å; K556-G592 WeakPolarHBondContact CA-O 3.16Å; K556-G592 WeakPolarHBondContact CD-O 3.21Å
557	L	92.7	Very high	84.9	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.4	-170.2	-49	171.6	0	0	0	111.3	Q555 I559 G592 V593 Q595	Q555-L557 HydrophobicContact CB-CD1 3.89Å; Q555-L557 HydrophobicContact CB-CD2 4.18Å; Q555-L557 HydrophobicContact CB-CG 3.88Å; L557-I559 HydrophobicContact CB-CD1 4.37Å; L557-G592 PolarHBondContact O-N 2.96Å; L557-V593 VanDerWaalsContact CB-O 3.31Å; L557-V593 WeakPolarHBondContact CB-O 3.25Å; L557-V593 PolarHBondContact N-O 3.28Å; L557-V593 PolarHBondContact O-N 3.13Å; L557-Q595 HydrophobicContact CD1-CB 4.09Å
558	S	93.9	Very high	85.3	Confident	4 Å²	4	46 Å²	46	3%	0.028	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.1	156.2	-71.3	0	0	0	0	109	S546 F560 Q581	S546-S558 PolarHBondContact N-O 2.96Å; S546-S558 PolarHBondContact O-N 3.39Å; S558-F560 WeakPolarHBondContact O-CD2 3.3Å; S558-F560 WeakPolarHBondContact O-CE2 3.24Å; S558-Q581 PolarHBondContact OG-NE2 2.79Å
559	I	95.4	Very high	86.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.9	-172.9	-56.7	-62.1	0	0	0	110	I543 L557 Q581 I582 L590 V593 A598	I543-I559 HydrophobicContact CB-CG2 4.01Å; I543-I559 HydrophobicContact CD1-CG2 3.94Å; I543-I559 HydrophobicContact CG2-CG2 4.06Å; L557-I559 HydrophobicContact CB-CD1 4.37Å; I559-Q581 WeakPolarHBondContact O-CA 3.45Å; I559-Q581 WeakPolarHBondContact O-CG 3.47Å; I559-I582 HydrophobicContact CG2-CD1 4.45Å; I559-I582 PolarHBondContact O-N 3.46Å; I559-L590 HydrophobicContact CG1-CB 4.21Å; I559-L590 WeakPolarHBondContact CG1-O 3.43Å; I559-V593 HydrophobicContact CD1-CG2 4.31Å; I559-V593 HydrophobicContact CG1-CG2 4.02Å; I559-A598 HydrophobicContact CD1-CB 3.64Å; I559-A598 HydrophobicContact CG1-CB 3.66Å; I559-A598 HydrophobicContact CG2-CB 4.16Å
560	F	94.9	Very high	87.1	Confident	10 Å²	10	38.8 Å²	38.8	4%	0.044	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.2	-176.9	-58	-87.3	0	0	0	112.2	I543 V544 S558 K562 D580 Q581 I624	I543-F560 CarbonylContact C-O 3.54Å; I543-F560 VanDerWaalsContact CA-O 3.3Å; I543-F560 WeakPolarHBondContact CA-O 3.42Å; V544-F560 HydrophobicContact CG1-CB 3.98Å; V544-F560 PolarHBondContact N-O 2.91Å; V544-F560 PolarHBondContact O-N 2.93Å; S558-F560 WeakPolarHBondContact O-CD2 3.3Å; S558-F560 WeakPolarHBondContact O-CE2 3.24Å; F560-K562 PolarHBondContact O-N 3.09Å; F560-D580 CarbonylContact C-O 3.59Å; F560-D580 VanDerWaalsContact CA-O 3.27Å; F560-D580 WeakPolarHBondContact CA-O 3.31Å; F560-Q581 HydrophobicContact CD1-CB 3.68Å; F560-Q581 HydrophobicContact CD1-CG 4.04Å; F560-Q581 HydrophobicContact CE1-CB 3.57Å; F560-Q581 HydrophobicContact CE1-CG 3.76Å; F560-Q581 VanDerWaalsContact CE1-OE1 3.29Å; F560-Q581 HydrophobicContact CZ-CB 4.46Å; F560-Q581 HydrophobicContact CZ-CG 4.19Å; F560-Q581 VanDerWaalsContact CZ-OE1 3.3Å; F560-I624 HydrophobicContact CB-CG2 4.16Å; F560-I624 HydrophobicContact CD1-CB 4.48Å; F560-I624 HydrophobicContact CD1-CD1 4.09Å; F560-I624 HydrophobicContact CD1-CG1 4.07Å; F560-I624 HydrophobicContact CD1-CG2 3.75Å; F560-I624 HydrophobicContact CD2-CG2 4.34Å; F560-I624 HydrophobicContact CE1-CB 4.48Å; F560-I624 HydrophobicContact CE1-CD1 3.36Å; F560-I624 HydrophobicContact CE1-CG1 3.63Å; F560-I624 HydrophobicContact CE1-CG2 4.21Å; F560-I624 HydrophobicContact CE2-CG1 4.21Å; F560-I624 HydrophobicContact CG-CG2 3.82Å; F560-I624 HydrophobicContact CZ-CD1 3.71Å; F560-I624 HydrophobicContact CZ-CG1 3.72Å
561	I	95	Very high	88.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	111.8	176.6	-60.2	-176	0	0	0	109.8	I541 S542 L564 I576 Y579 D580 I582	I541-I561 HydrophobicContact CG2-CD1 4.49Å; S542-I561 CarbonylContact O-C 3.58Å; S542-I561 WeakPolarHBondContact O-CA 3.4Å; I561-L564 HydrophobicContact CG2-CD2 3.8Å; I561-I576 HydrophobicContact CD1-CG2 3.21Å; I561-Y579 PolarHBondContact O-N 2.91Å; I561-D580 HydrophobicContact CD1-CB 4.19Å; I561-D580 HydrophobicContact CG1-CB 4.48Å; I561-D580 PolarHBondContact N-O 3.42Å; I561-I582 HydrophobicContact CD1-CD1 4.39Å; I561-I582 HydrophobicContact CD1-CG1 4.28Å; I561-I582 HydrophobicContact CG1-CD1 4.11Å; I561-I582 HydrophobicContact CG1-CG1 4.06Å
562	K	93.2	Very high	89.6	Confident	39 Å²	39	42.5 Å²	42.5	17%	0.17	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-40.8	178.9	168.5	171.7	175.4	-172.9	0	112.6	S542 V544 F560 V578 L628 Q632 E635	S542-K562 PolarHBondContact O-N 2.77Å; V544-K562 HydrophobicContact CB-CB 4.28Å; V544-K562 HydrophobicContact CG1-CB 4.46Å; F560-K562 PolarHBondContact O-N 3.09Å; K562-V578 WeakPolarHBondContact O-CG1 3.48Å; K562-L628 HydrophobicContact CB-CD2 3.8Å; K562-L628 HydrophobicContact CD-CD2 4.28Å; K562-L628 HydrophobicContact CG-CD2 3.7Å; K562-Q632 PolarHBondContact O-NE2 3.22Å; K562-E635 IonicContact NZ-OE1 2.75Å; K562-E635 PolarHBondContact NZ-OE1 3.45Å; K562-E635 IonicContact NZ-OE2 3.6Å; K562-E635 PolarHBondContact NZ-OE2 2.91Å
563	S	93.1	Very high	91.1	Very high	43 Å²	43	41.8 Å²	41.8	30%	0.301	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	159.7	179.6	58	0	0	0	0	111.2	S542	S542-S563 VanDerWaalsContact CB-OG 3.32Å; S542-S563 WeakPolarHBondContact CB-OG 3.34Å; S542-S563 PolarHBondContact N-O 2.82Å
564	L	94.5	Very high	92.3	Very high	40 Å²	40	40.9 Å²	40.9	21%	0.209	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	146.3	169.5	-55.8	-178.9	0	0	0	109.1	G540 I541 I561 A570 E571 I576 V578	G540-L564 WeakPolarHBondContact O-CA 3.45Å; I541-L564 HydrophobicContact CG2-CD2 3.92Å; I561-L564 HydrophobicContact CG2-CD2 3.8Å; L564-A570 HydrophobicContact CD2-CB 3.93Å; L564-E571 HydrophobicContact CB-CB 4.4Å; L564-I576 HydrophobicContact CD2-CG2 4.27Å; L564-V578 HydrophobicContact CG-CG2 4.12Å
565	T	94.4	Very high	93.2	Very high	78 Å²	78	42.1 Å²	42.1	48%	0.479	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-80.9	126.2	172.8	-50.3	0	0	0	0	109.4	G540 G567 G568	G540-T565 WeakPolarHBondContact CA-OG1 3.37Å; G540-T565 PolarHBondContact O-N 3.45Å; T565-G567 PolarHBondContact O-N 3.02Å; T565-G568 VanDerWaalsContact O-CA 3.3Å; T565-G568 WeakPolarHBondContact O-CA 3.49Å; T565-G568 PolarHBondContact O-N 3.47Å
566	S	92.5	Very high	93.7	Very high	100 Å²	100	39.1 Å²	39.1	70%	0.699	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	130.5	178.7	-60.3	0	0	0	0	112.7	G568 E571	S566-G568 PolarHBondContact O-N 3.49Å; S566-E571 WeakPolarHBondContact CA-OE1 3.45Å; S566-E571 WeakPolarHBondContact CA-OE2 3.43Å; S566-E571 PolarHBondContact OG-OE1 3.38Å
567	G	91.4	Very high	93.9	Very high	67 Å²	67	42.4 Å²	42.4	69%	0.691	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	7.2	-167.5	0	0	0	0	0	114.7	T565 E571	T565-G567 PolarHBondContact O-N 3.02Å; G567-E571 PolarHBondContact N-OE2 3.17Å
568	G	92.4	Very high	93.9	Very high	5 Å²	5	44.1 Å²	44.1	5%	0.052	28%	0.278	C	S	.	.	S	Bend	trans	-76.6	164.6	175.3	0	0	0	0	0	112.7	T565 S566 A570 E571 A572	T565-G568 VanDerWaalsContact O-CA 3.3Å; T565-G568 WeakPolarHBondContact O-CA 3.49Å; T565-G568 PolarHBondContact O-N 3.47Å; S566-G568 PolarHBondContact O-N 3.49Å; G568-A570 VanDerWaalsContact C-N 3.34Å; G568-A570 PolarHBondContact O-N 2.89Å; G568-E571 PolarHBondContact O-N 2.84Å; G568-A572 WeakPolarHBondContact O-CB 3.39Å; G568-A572 PolarHBondContact O-N 3.27Å
569	A	94.3	Very high	93.8	Very high	22 Å²	22	47 Å²	47	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-38.4	-175.4	0	0	0	0	0	112.9	F532 A572 D573	F532-A569 HydrophobicContact CE1-CB 4.3Å; F532-A569 HydrophobicContact CE2-CB 4.35Å; F532-A569 HydrophobicContact CZ-CB 3.58Å; A569-A572 PolarHBondContact O-N 3.33Å; A569-D573 VanDerWaalsContact O-CB 3.31Å; A569-D573 WeakPolarHBondContact O-CB 3.32Å; A569-D573 PolarHBondContact O-N 3.03Å
570	A	95	Very high	93.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.7	-40.9	176.7	0	0	0	0	0	113.7	F532 L539 I541 L564 G568 D573 G574 I576	F532-A570 HydrophobicContact CE2-CB 4.3Å; F532-A570 HydrophobicContact CZ-CB 4.22Å; L539-A570 WeakPolarHBondContact O-CB 3.36Å; L539-A570 PolarHBondContact O-N 2.98Å; I541-A570 HydrophobicContact CG2-CB 3.38Å; L564-A570 HydrophobicContact CD2-CB 3.93Å; G568-A570 VanDerWaalsContact C-N 3.34Å; G568-A570 PolarHBondContact O-N 2.89Å; A570-D573 PolarHBondContact O-N 3.47Å; A570-G574 PolarHBondContact O-N 3.02Å; A570-I576 HydrophobicContact CB-CB 4.47Å; A570-I576 HydrophobicContact CB-CG2 4.46Å
571	E	94.4	Very high	93.8	Very high	88 Å²	88	46.8 Å²	46.8	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-67.7	-37.9	175	-167.3	-169.6	-107.2	0	0	111.3	L564 S566 G567 G568 D573	L564-E571 HydrophobicContact CB-CB 4.4Å; S566-E571 WeakPolarHBondContact CA-OE1 3.45Å; S566-E571 WeakPolarHBondContact CA-OE2 3.43Å; S566-E571 PolarHBondContact OG-OE1 3.38Å; G567-E571 PolarHBondContact N-OE2 3.17Å; G568-E571 PolarHBondContact O-N 2.84Å; E571-D573 VanDerWaalsContact C-N 3.34Å
572	A	93.4	Very high	93.9	Very high	86 Å²	86	46.8 Å²	46.8	71%	0.711	29%	0.287	S	S	*	.	H	α-helix	trans	-71.2	-26.1	177.5	0	0	0	0	0	113.9	G568 A569	G568-A572 WeakPolarHBondContact O-CB 3.39Å; G568-A572 PolarHBondContact O-N 3.27Å; A569-A572 PolarHBondContact O-N 3.33Å
573	D	93.8	Very high	94.1	Very high	55 Å²	55	45.5 Å²	45.5	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-82.2	-38.1	174.6	-174.7	93.7	0	0	0	112.4	F532 A569 A570 E571 R575	F532-D573 HydrophobicContact CD2-CB 4.22Å; F532-D573 HydrophobicContact CE2-CB 3.89Å; A569-D573 VanDerWaalsContact O-CB 3.31Å; A569-D573 WeakPolarHBondContact O-CB 3.32Å; A569-D573 PolarHBondContact O-N 3.03Å; A570-D573 PolarHBondContact O-N 3.47Å; E571-D573 VanDerWaalsContact C-N 3.34Å; D573-R575 PolarHBondContact O-N 2.82Å; D573-R575 IonicContact OD1-CZ 2.66Å; D573-R575 IonicContact OD1-NE 3.49Å; D573-R575 PolarHBondContact OD1-NE 3.31Å; D573-R575 IonicContact OD1-NH2 2.66Å; D573-R575 PolarHBondContact OD1-NH2 2.81Å; D573-R575 WeakPolarHBondContact OD2-CB 3.39Å; D573-R575 WeakPolarHBondContact OD2-CG 3.5Å; D573-R575 IonicContact OD2-CZ 3.16Å; D573-R575 PolarHBondContact OD2-N 2.93Å; D573-R575 IonicContact OD2-NE 2.63Å; D573-R575 PolarHBondContact OD2-NE 3.43Å; D573-R575 IonicContact OD2-NH2 2.83Å; D573-R575 PolarHBondContact OD2-NH2 2.93Å
574	G	93.6	Very high	94.2	Very high	42 Å²	42	45.9 Å²	45.9	43%	0.433	28%	0.28	S	S	.	.			trans	72.1	-7.3	169.8	0	0	0	0	0	116.7	A570	A570-G574 PolarHBondContact O-N 3.02Å
575	R	94.7	Very high	94.3	Very high	105 Å²	105	44 Å²	44	40%	0.396	27%	0.27	S	S	.	.	S	Bend	trans	-72.1	-39.5	172.6	-65	177.8	-77	168.6	-2.7	111.5	I530 D531 D573 R615	I530-R575 HydrophobicContact CD1-CB 4.23Å; D531-R575 PolarHBondContact O-NH1 3.46Å; D531-R575 PolarHBondContact O-NH2 2.82Å; D573-R575 PolarHBondContact O-N 2.82Å; D573-R575 IonicContact OD1-CZ 2.66Å; D573-R575 IonicContact OD1-NE 3.49Å; D573-R575 PolarHBondContact OD1-NE 3.31Å; D573-R575 IonicContact OD1-NH2 2.66Å; D573-R575 PolarHBondContact OD1-NH2 2.81Å; D573-R575 WeakPolarHBondContact OD2-CB 3.39Å; D573-R575 WeakPolarHBondContact OD2-CG 3.5Å; D573-R575 IonicContact OD2-CZ 3.16Å; D573-R575 PolarHBondContact OD2-N 2.93Å; D573-R575 IonicContact OD2-NE 2.63Å; D573-R575 PolarHBondContact OD2-NE 3.43Å; D573-R575 IonicContact OD2-NH2 2.83Å; D573-R575 PolarHBondContact OD2-NH2 2.93Å; R575-R615 PolarHBondContact O-NH2 3.02Å
576	I	94.9	Very high	94.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	26%	0.264	C	S	.	.	S	Bend	trans	-79.8	135	177	-60	176.5	0	0	0	109.5	I530 F532 I541 I561 L564 A570	I530-I576 HydrophobicContact CD1-CD1 4.41Å; I530-I576 HydrophobicContact CD1-CG1 3.58Å; F532-I576 HydrophobicContact CD2-CD1 3.79Å; F532-I576 HydrophobicContact CE2-CD1 4.06Å; F532-I576 HydrophobicContact CG-CD1 4.25Å; I541-I576 HydrophobicContact CG2-CG2 4.46Å; I561-I576 HydrophobicContact CD1-CG2 3.21Å; L564-I576 HydrophobicContact CD2-CG2 4.27Å; A570-I576 HydrophobicContact CB-CB 4.47Å; A570-I576 HydrophobicContact CB-CG2 4.46Å
577	Q	93.6	Very high	94.4	Very high	91 Å²	91	39.9 Å²	39.9	43%	0.425	24%	0.244	S	C	.	.			trans	-131.3	165.1	-176.5	-64.7	179.3	8.8	0	0	111.8	D580	Q577-D580 PolarHBondContact N-OD2 2.83Å; Q577-D580 WeakPolarHBondContact O-CB 3.41Å
578	V	93	Very high	94.6	Very high	47 Å²	47	41 Å²	41	29%	0.285	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	147.5	169.6	-174.6	0	0	0	0	109	K562 L564 D580	K562-V578 WeakPolarHBondContact O-CG1 3.48Å; L564-V578 HydrophobicContact CG-CG2 4.12Å; V578-D580 PolarHBondContact O-N 2.64Å
579	Y	92.1	Very high	94.7	Very high	65 Å²	65	43.1 Å²	43.1	26%	0.255	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	-5.3	-174.6	-37.7	-65.6	0	0	0	116.2	I561 A625 L628	I561-Y579 PolarHBondContact O-N 2.91Å; Y579-A625 HydrophobicContact CD1-CB 4.02Å; Y579-A625 HydrophobicContact CD2-CB 4.26Å; Y579-A625 HydrophobicContact CE1-CB 4.12Å; Y579-A625 HydrophobicContact CE2-CB 4.35Å; Y579-A625 HydrophobicContact CG-CB 4.09Å; Y579-L628 HydrophobicContact CD1-CB 3.93Å; Y579-L628 HydrophobicContact CD1-CD1 3.7Å; Y579-L628 HydrophobicContact CD1-CG 4.47Å; Y579-L628 HydrophobicContact CE1-CB 3.62Å; Y579-L628 HydrophobicContact CE1-CD1 4.15Å
580	D	95.2	Very high	94.8	Very high	2 Å²	2	42 Å²	42	1%	0.011	24%	0.236	C	C	.	.			trans	-59.7	142.4	169.4	-76.5	-9.7	0	0	0	111.5	F560 I561 Q577 V578 I613 R615	F560-D580 CarbonylContact C-O 3.59Å; F560-D580 VanDerWaalsContact CA-O 3.27Å; F560-D580 WeakPolarHBondContact CA-O 3.31Å; I561-D580 HydrophobicContact CD1-CB 4.19Å; I561-D580 HydrophobicContact CG1-CB 4.48Å; I561-D580 PolarHBondContact N-O 3.42Å; Q577-D580 PolarHBondContact N-OD2 2.83Å; Q577-D580 WeakPolarHBondContact O-CB 3.41Å; V578-D580 PolarHBondContact O-N 2.64Å; D580-I613 HydrophobicContact CB-CG2 3.74Å; D580-R615 VanDerWaalsContact CG-NH2 3.31Å; D580-R615 IonicContact OD1-CZ 2.77Å; D580-R615 IonicContact OD1-NE 3.82Å; D580-R615 PolarHBondContact OD1-NE 2.81Å; D580-R615 IonicContact OD1-NH2 2.86Å; D580-R615 PolarHBondContact OD1-NH2 3.42Å; D580-R615 VanDerWaalsContact OD1-NH2 3.1Å; D580-R615 IonicContact OD2-CZ 2.7Å; D580-R615 IonicContact OD2-NE 3.81Å; D580-R615 IonicContact OD2-NH2 3.4Å; D580-R615 PolarHBondContact OD2-NH2 2.91Å
581	Q	95.3	Very high	94.8	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.3	168.9	-168.8	174.3	-38.6	0	0	110.5	M525 S558 I559 F560 I613 A614	M525-Q581 HydrophobicContact CE-CB 4.36Å; S558-Q581 PolarHBondContact OG-NE2 2.79Å; I559-Q581 WeakPolarHBondContact O-CA 3.45Å; I559-Q581 WeakPolarHBondContact O-CG 3.47Å; F560-Q581 HydrophobicContact CD1-CB 3.68Å; F560-Q581 HydrophobicContact CD1-CG 4.04Å; F560-Q581 HydrophobicContact CE1-CB 3.57Å; F560-Q581 HydrophobicContact CE1-CG 3.76Å; F560-Q581 VanDerWaalsContact CE1-OE1 3.29Å; F560-Q581 HydrophobicContact CZ-CB 4.46Å; F560-Q581 HydrophobicContact CZ-CG 4.19Å; F560-Q581 VanDerWaalsContact CZ-OE1 3.3Å; Q581-I613 WeakPolarHBondContact O-CA 3.45Å; Q581-A614 HydrophobicContact CB-CB 4.33Å; Q581-A614 PolarHBondContact N-O 3.42Å; Q581-A614 PolarHBondContact O-N 3.24Å
582	I	96.9	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.1	168.8	-49.2	178.3	0	0	0	107.5	I541 I543 I559 I561 V585 L590 L602 F611 I613	I541-I582 HydrophobicContact CD1-CD1 3.95Å; I543-I582 HydrophobicContact CG2-CD1 3.93Å; I559-I582 HydrophobicContact CG2-CD1 4.45Å; I559-I582 PolarHBondContact O-N 3.46Å; I561-I582 HydrophobicContact CD1-CD1 4.39Å; I561-I582 HydrophobicContact CD1-CG1 4.28Å; I561-I582 HydrophobicContact CG1-CD1 4.11Å; I561-I582 HydrophobicContact CG1-CG1 4.06Å; I582-V585 HydrophobicContact CG2-CG2 3.49Å; I582-V585 VanDerWaalsContact CG2-CG2 3.49Å; I582-L590 HydrophobicContact CB-CD1 4.5Å; I582-L590 HydrophobicContact CG2-CD1 3.92Å; I582-L602 HydrophobicContact CD1-CD1 4.21Å; I582-L602 HydrophobicContact CD1-CD2 4.3Å; I582-F611 HydrophobicContact CG2-CD1 3.92Å; I582-F611 HydrophobicContact CG2-CE1 4.2Å; I582-I613 HydrophobicContact CB-CD1 4.34Å; I582-I613 HydrophobicContact CG1-CD1 4.11Å; I582-I613 HydrophobicContact CG2-CD1 4.26Å
583	V	96.8	Very high	94.7	Very high	13 Å²	13	35.4 Å²	35.4	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-44.3	-178.9	-178.3	0	0	0	0	110.6	L522 M527 L590 V591 V612 A614	L522-V583 HydrophobicContact CD1-CG1 3.81Å; L522-V583 HydrophobicContact CD1-CG2 4.21Å; L522-V583 HydrophobicContact CD2-CG2 3.77Å; M527-V583 HydrophobicContact CE-CG1 4.19Å; V583-L590 PolarHBondContact O-N 3.44Å; V583-V591 HydrophobicContact CG1-CG2 3.9Å; V583-V612 HydrophobicContact CB-CB 4.26Å; V583-V612 HydrophobicContact CB-CG1 4.07Å; V583-V612 WeakPolarHBondContact CB-O 3.18Å; V583-V612 HydrophobicContact CG1-CG1 4.4Å; V583-V612 PolarHBondContact N-O 3.36Å; V583-A614 HydrophobicContact CG2-CB 3.64Å
584	Q	96.8	Very high	94.7	Very high	50 Å²	50	33.8 Å²	33.8	23%	0.234	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	148.6	-176.7	-154.6	178.4	9.9	0	0	111.2	G587 H588 F611 V612	Q584-G587 PolarHBondContact NE2-O 2.83Å; Q584-H588 CarbonylContact C-O 3.49Å; Q584-H588 VanDerWaalsContact CA-O 3.26Å; Q584-H588 WeakPolarHBondContact CA-O 3.44Å; Q584-H588 VanDerWaalsContact CG-O 3.29Å; Q584-H588 WeakPolarHBondContact CG-O 3.41Å; Q584-F611 WeakPolarHBondContact O-CA 3.2Å; Q584-V612 HydrophobicContact CB-CB 3.74Å; Q584-V612 HydrophobicContact CB-CG2 3.78Å; Q584-V612 PolarHBondContact N-O 3.46Å; Q584-V612 PolarHBondContact O-N 3.43Å
585	V	96.9	Very high	94.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	120.9	176.8	-172.1	0	0	0	0	109.9	I582 G587 H588 L590 V601 L602 T605 I609 H610 F611	I582-V585 HydrophobicContact CG2-CG2 3.49Å; I582-V585 VanDerWaalsContact CG2-CG2 3.49Å; V585-G587 PolarHBondContact O-N 3.13Å; V585-H588 PolarHBondContact N-O 2.73Å; V585-H588 WeakPolarHBondContact O-CB 3.18Å; V585-H588 PolarHBondContact O-N 3.15Å; V585-L590 HydrophobicContact CB-CD1 4.49Å; V585-L590 HydrophobicContact CG2-CD1 3.51Å; V585-L590 HydrophobicContact CG2-CG 4.11Å; V585-V601 HydrophobicContact CB-CG1 3.94Å; V585-V601 HydrophobicContact CG1-CG1 4.22Å; V585-L602 HydrophobicContact CG1-CD2 4.31Å; V585-L602 HydrophobicContact CG2-CD2 3.92Å; V585-T605 HydrophobicContact CG1-CG2 3.5Å; V585-T605 VanDerWaalsContact CG1-CG2 3.5Å; V585-I609 HydrophobicContact CG1-CG2 3.75Å; V585-H610 WeakPolarHBondContact CA-O 3.34Å; V585-F611 HydrophobicContact CB-CE1 4.47Å; V585-F611 HydrophobicContact CG1-CD1 4.37Å; V585-F611 HydrophobicContact CG1-CE1 4.02Å; V585-F611 HydrophobicContact CG1-CZ 4.45Å; V585-F611 HydrophobicContact CG2-CD1 3.77Å; V585-F611 HydrophobicContact CG2-CE1 3.7Å
586	D	95	Very high	94.6	Very high	65 Å²	65	35.7 Å²	35.7	35%	0.348	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	33.8	178.8	-65	-20.5	0	0	0	113.3	I609 H610	D586-I609 VanDerWaalsContact OD1-CA 3.26Å; D586-I609 WeakPolarHBondContact OD1-CA 3.21Å; D586-I609 WeakPolarHBondContact OD1-CG2 3.03Å; D586-H610 PolarHBondContact N-O 2.95Å; D586-H610 PolarHBondContact OD1-N 2.81Å
587	G	93.4	Very high	94.5	Very high	28 Å²	28	38.1 Å²	38.1	29%	0.289	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-17.2	-177.1	0	0	0	0	0	115.5	Q584 V585	Q584-G587 PolarHBondContact NE2-O 2.83Å; V585-G587 PolarHBondContact O-N 3.13Å
588	H	95.3	Very high	94.7	Very high	90 Å²	90	33.8 Å²	33.8	42%	0.417	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.4	179.2	-62.6	-72.4	0	0	0	112.2	Q584 V585 V601	Q584-H588 CarbonylContact C-O 3.49Å; Q584-H588 VanDerWaalsContact CA-O 3.26Å; Q584-H588 WeakPolarHBondContact CA-O 3.44Å; Q584-H588 VanDerWaalsContact CG-O 3.29Å; Q584-H588 WeakPolarHBondContact CG-O 3.41Å; V585-H588 PolarHBondContact N-O 2.73Å; V585-H588 WeakPolarHBondContact O-CB 3.18Å; V585-H588 PolarHBondContact O-N 3.15Å; H588-V601 HydrophobicContact CB-CG1 4.16Å
589	S	95.5	Very high	94.7	Very high	49 Å²	49	32.9 Å²	32.9	34%	0.343	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	137.8	169.9	-178.6	0	0	0	0	110.9	V591	S589-V591 PolarHBondContact OG-N 2.73Å
590	L	95.9	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.			trans	-114	20.5	171.1	-60.2	-169.9	0	0	0	112.2	I559 I582 V583 V585 V593 F597 A598 V601 L602	I559-L590 HydrophobicContact CG1-CB 4.21Å; I559-L590 WeakPolarHBondContact CG1-O 3.43Å; I582-L590 HydrophobicContact CB-CD1 4.5Å; I582-L590 HydrophobicContact CG2-CD1 3.92Å; V583-L590 PolarHBondContact O-N 3.44Å; V585-L590 HydrophobicContact CB-CD1 4.49Å; V585-L590 HydrophobicContact CG2-CD1 3.51Å; V585-L590 HydrophobicContact CG2-CG 4.11Å; L590-V593 HydrophobicContact CB-CG2 4.17Å; L590-V593 HydrophobicContact CD2-CG2 4.17Å; L590-F597 HydrophobicContact CD2-CD1 4.26Å; L590-F597 HydrophobicContact CD2-CE1 4.23Å; L590-A598 HydrophobicContact CD1-CB 4.16Å; L590-A598 HydrophobicContact CD2-CB 4.23Å; L590-V601 HydrophobicContact CD2-CB 4.13Å; L590-V601 HydrophobicContact CD2-CG1 4.24Å; L590-V601 HydrophobicContact CD2-CG2 4.14Å; L590-L602 HydrophobicContact CD1-CG 4.46Å
591	V	94.4	Very high	94.9	Very high	13 Å²	13	35.8 Å²	35.8	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.8	169.1	-168.5	0	0	0	0	108.8	L518 E519 L522 V583 S589 V593	L518-V591 HydrophobicContact CB-CG1 3.95Å; E519-V591 HydrophobicContact CG-CB 4.46Å; E519-V591 HydrophobicContact CG-CG1 3.77Å; L522-V591 HydrophobicContact CD1-CG2 3.93Å; V583-V591 HydrophobicContact CG1-CG2 3.9Å; S589-V591 PolarHBondContact OG-N 2.73Å; V591-V593 PolarHBondContact O-N 3.29Å
592	G	93.1	Very high	94.9	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.8	5.7	178.1	0	0	0	0	0	115.2	K556 L557	K556-G592 WeakPolarHBondContact CA-O 3.16Å; K556-G592 WeakPolarHBondContact CD-O 3.21Å; L557-G592 PolarHBondContact O-N 2.96Å
593	V	93	Very high	94.7	Very high	20 Å²	20	42.7 Å²	42.7	12%	0.121	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	166.1	-176.9	-55.4	0	0	0	0	112.8	Q555 L557 I559 L590 V591 F597 A598	Q555-V593 CarbonylContact O-C 3.58Å; L557-V593 VanDerWaalsContact CB-O 3.31Å; L557-V593 WeakPolarHBondContact CB-O 3.25Å; L557-V593 PolarHBondContact N-O 3.28Å; L557-V593 PolarHBondContact O-N 3.13Å; I559-V593 HydrophobicContact CD1-CG2 4.31Å; I559-V593 HydrophobicContact CG1-CG2 4.02Å; L590-V593 HydrophobicContact CB-CG2 4.17Å; L590-V593 HydrophobicContact CD2-CG2 4.17Å; V591-V593 PolarHBondContact O-N 3.29Å; V593-F597 HydrophobicContact CB-CB 4.49Å; V593-F597 HydrophobicContact CB-CD1 3.74Å; V593-F597 HydrophobicContact CB-CE1 4.46Å; V593-F597 HydrophobicContact CB-CG 4.47Å; V593-F597 HydrophobicContact CG1-CD1 3.75Å; V593-F597 HydrophobicContact CG1-CE1 3.97Å; V593-F597 HydrophobicContact CG2-CD1 4.12Å; V593-A598 HydrophobicContact CG2-CB 4.06Å
594	S	92.8	Very high	94.5	Very high	20 Å²	20	48.7 Å²	48.7	14%	0.14	26%	0.257	C	S	.	.			trans	-75.3	152.7	169.1	68.6	0	0	0	0	111.7	Q596 F597 A598	S594-Q596 PolarHBondContact O-N 3.28Å; S594-F597 PolarHBondContact O-N 3.13Å; S594-F597 WeakPolarHBondContact OG-CB 3.35Å; S594-F597 PolarHBondContact OG-N 3.09Å; S594-A598 PolarHBondContact O-N 3.36Å
595	Q	92.9	Very high	94.3	Very high	72 Å²	72	46.8 Å²	46.8	34%	0.336	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-29.1	179.9	-170.5	174.1	-7.4	0	0	112	I543 L557 A599	I543-Q595 HydrophobicContact CD1-CG 4.22Å; I543-Q595 PolarHBondContact O-NE2 2.95Å; I543-Q595 VanDerWaalsContact O-NE2 3.12Å; L557-Q595 HydrophobicContact CD1-CB 4.09Å; Q595-A599 WeakPolarHBondContact O-CB 3.07Å; Q595-A599 PolarHBondContact O-N 3.32Å
596	Q	93.4	Very high	94	Very high	116 Å²	116	48.6 Å²	48.6	54%	0.542	27%	0.268	S	S	.	.	H	α-helix	trans	-68	-43.7	174.3	-62	81.1	-4.2	0	0	111.6	S594 A599 Q600	S594-Q596 PolarHBondContact O-N 3.28Å; Q596-A599 PolarHBondContact O-N 2.96Å; Q596-Q600 WeakPolarHBondContact O-CG 3.19Å; Q596-Q600 PolarHBondContact O-N 2.75Å
597	F	94.3	Very high	93.9	Very high	54 Å²	54	51 Å²	51	24%	0.237	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-46.7	176.2	-179.6	-94.7	0	0	0	111.1	P231 L590 V593 S594 A599 Q600 V601	P231-F597 HydrophobicContact CB-CZ 4.49Å; L590-F597 HydrophobicContact CD2-CD1 4.26Å; L590-F597 HydrophobicContact CD2-CE1 4.23Å; V593-F597 HydrophobicContact CB-CB 4.49Å; V593-F597 HydrophobicContact CB-CD1 3.74Å; V593-F597 HydrophobicContact CB-CE1 4.46Å; V593-F597 HydrophobicContact CB-CG 4.47Å; V593-F597 HydrophobicContact CG1-CD1 3.75Å; V593-F597 HydrophobicContact CG1-CE1 3.97Å; V593-F597 HydrophobicContact CG2-CD1 4.12Å; S594-F597 PolarHBondContact O-N 3.13Å; S594-F597 WeakPolarHBondContact OG-CB 3.35Å; S594-F597 PolarHBondContact OG-N 3.09Å; F597-A599 VanDerWaalsContact C-N 3.31Å; F597-A599 PolarHBondContact O-N 3.3Å; F597-Q600 WeakPolarHBondContact O-CB 3.45Å; F597-Q600 PolarHBondContact O-N 2.86Å; F597-Q600 VanDerWaalsContact O-N 3.1Å; F597-V601 HydrophobicContact CD1-CG2 4.1Å; F597-V601 HydrophobicContact CE1-CG2 3.71Å; F597-V601 HydrophobicContact CE2-CG2 4.46Å; F597-V601 HydrophobicContact CZ-CG2 3.91Å; F597-V601 WeakPolarHBondContact O-CG2 3.33Å; F597-V601 PolarHBondContact O-N 2.67Å
598	A	95.9	Very high	93.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.3	-42.8	174.9	0	0	0	0	0	112.6	I543 I559 L590 V593 S594 Q600 L602	I543-A598 HydrophobicContact CD1-CB 4.02Å; I559-A598 HydrophobicContact CD1-CB 3.64Å; I559-A598 HydrophobicContact CG1-CB 3.66Å; I559-A598 HydrophobicContact CG2-CB 4.16Å; L590-A598 HydrophobicContact CD1-CB 4.16Å; L590-A598 HydrophobicContact CD2-CB 4.23Å; V593-A598 HydrophobicContact CG2-CB 4.06Å; S594-A598 PolarHBondContact O-N 3.36Å; A598-Q600 PolarHBondContact O-N 2.97Å; A598-L602 WeakPolarHBondContact O-CB 3.36Å; A598-L602 WeakPolarHBondContact O-CD1 3.38Å; A598-L602 VanDerWaalsContact O-CG 3.24Å; A598-L602 WeakPolarHBondContact O-CG 3.32Å; A598-L602 PolarHBondContact O-N 3.08Å
599	A	94.9	Very high	93.9	Very high	29 Å²	29	51 Å²	51	24%	0.24	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-37.6	175.5	0	0	0	0	0	112.8	I543 Q595 Q596 F597 Q603	I543-A599 HydrophobicContact CD1-CB 4.47Å; Q595-A599 WeakPolarHBondContact O-CB 3.07Å; Q595-A599 PolarHBondContact O-N 3.32Å; Q596-A599 PolarHBondContact O-N 2.96Å; F597-A599 VanDerWaalsContact C-N 3.31Å; F597-A599 PolarHBondContact O-N 3.3Å; A599-Q603 WeakPolarHBondContact O-CB 3.31Å; A599-Q603 WeakPolarHBondContact O-CG 3.41Å; A599-Q603 PolarHBondContact O-N 2.89Å; A599-Q603 PolarHBondContact O-NE2 2.91Å
600	Q	95.2	Very high	93.9	Very high	111 Å²	111	51.7 Å²	51.7	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-66.8	-47.4	176.1	-74	173	-7	0	0	112	Q596 F597 A598 L602 Q603 N604	Q596-Q600 WeakPolarHBondContact O-CG 3.19Å; Q596-Q600 PolarHBondContact O-N 2.75Å; F597-Q600 WeakPolarHBondContact O-CB 3.45Å; F597-Q600 PolarHBondContact O-N 2.86Å; F597-Q600 VanDerWaalsContact O-N 3.1Å; A598-Q600 PolarHBondContact O-N 2.97Å; Q600-L602 PolarHBondContact O-N 3.2Å; Q600-Q603 PolarHBondContact O-N 3.02Å; Q600-N604 WeakPolarHBondContact O-CB 3.33Å; Q600-N604 VanDerWaalsContact O-CG 3.22Å; Q600-N604 PolarHBondContact O-N 2.76Å; Q600-N604 PolarHBondContact O-ND2 2.61Å
601	V	95.8	Very high	94	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.097	27%	0.27	C	S	.	.	H	α-helix	trans	-56.5	-52.2	175.6	174.1	0	0	0	0	109.9	V585 H588 L590 F597 Q603 N604 T605	V585-V601 HydrophobicContact CB-CG1 3.94Å; V585-V601 HydrophobicContact CG1-CG1 4.22Å; H588-V601 HydrophobicContact CB-CG1 4.16Å; L590-V601 HydrophobicContact CD2-CB 4.13Å; L590-V601 HydrophobicContact CD2-CG1 4.24Å; L590-V601 HydrophobicContact CD2-CG2 4.14Å; F597-V601 HydrophobicContact CD1-CG2 4.1Å; F597-V601 HydrophobicContact CE1-CG2 3.71Å; F597-V601 HydrophobicContact CE2-CG2 4.46Å; F597-V601 HydrophobicContact CZ-CG2 3.91Å; F597-V601 WeakPolarHBondContact O-CG2 3.33Å; F597-V601 PolarHBondContact O-N 2.67Å; V601-Q603 VanDerWaalsContact C-N 3.28Å; V601-Q603 PolarHBondContact O-N 2.99Å; V601-N604 PolarHBondContact O-N 3.39Å; V601-N604 VanDerWaalsContact O-N 3.15Å; V601-T605 WeakPolarHBondContact O-CG2 3.48Å; V601-T605 PolarHBondContact O-N 2.63Å
602	L	95.2	Very high	94.1	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-33.8	179.5	-71.4	169.2	0	0	0	113.6	L539 I541 I543 I582 V585 L590 A598 Q600 T605 F611	L539-L602 HydrophobicContact CD1-CB 4.13Å; L539-L602 HydrophobicContact CD1-CD2 3.95Å; I541-L602 HydrophobicContact CD1-CD1 4.47Å; I541-L602 HydrophobicContact CD1-CD2 4.29Å; I543-L602 HydrophobicContact CD1-CD1 4Å; I543-L602 HydrophobicContact CG2-CD1 3.83Å; I582-L602 HydrophobicContact CD1-CD1 4.21Å; I582-L602 HydrophobicContact CD1-CD2 4.3Å; V585-L602 HydrophobicContact CG1-CD2 4.31Å; V585-L602 HydrophobicContact CG2-CD2 3.92Å; L590-L602 HydrophobicContact CD1-CG 4.46Å; A598-L602 WeakPolarHBondContact O-CB 3.36Å; A598-L602 WeakPolarHBondContact O-CD1 3.38Å; A598-L602 VanDerWaalsContact O-CG 3.24Å; A598-L602 WeakPolarHBondContact O-CG 3.32Å; A598-L602 PolarHBondContact O-N 3.08Å; Q600-L602 PolarHBondContact O-N 3.2Å; L602-T605 PolarHBondContact O-OG1 2.71Å; L602-F611 HydrophobicContact CD2-CE1 3.68Å; L602-F611 HydrophobicContact CD2-CZ 4.06Å
603	Q	93.1	Very high	94.3	Very high	135 Å²	135	51.7 Å²	51.7	63%	0.631	27%	0.269	S	S	*	.	H	α-helix	trans	-71.2	-42.7	175.5	-76.2	168.1	47.6	0	0	112.2	K534 A599 Q600 V601 T605	K534-Q603 PolarHBondContact NZ-O 3.44Å; A599-Q603 WeakPolarHBondContact O-CB 3.31Å; A599-Q603 WeakPolarHBondContact O-CG 3.41Å; A599-Q603 PolarHBondContact O-N 2.89Å; A599-Q603 PolarHBondContact O-NE2 2.91Å; Q600-Q603 PolarHBondContact O-N 3.02Å; V601-Q603 VanDerWaalsContact C-N 3.28Å; V601-Q603 PolarHBondContact O-N 2.99Å; Q603-T605 VanDerWaalsContact C-N 3.27Å; Q603-T605 PolarHBondContact O-N 2.98Å
604	N	92.2	Very high	94.4	Very high	139 Å²	139	50.8 Å²	50.8	74%	0.743	26%	0.263	S	S	*	.	H	α-helix	trans	-75.9	-8.4	-175	-67.7	-19.1	0	0	0	114.7	Q600 V601	Q600-N604 WeakPolarHBondContact O-CB 3.33Å; Q600-N604 VanDerWaalsContact O-CG 3.22Å; Q600-N604 PolarHBondContact O-N 2.76Å; Q600-N604 PolarHBondContact O-ND2 2.61Å; V601-N604 PolarHBondContact O-N 3.39Å; V601-N604 VanDerWaalsContact O-N 3.15Å
605	T	92.8	Very high	94.4	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.067	27%	0.267	C	S	.	.			trans	-50.8	152.7	176.4	51.3	0	0	0	0	115.2	K534 V585 V601 L602 Q603 I609	K534-T605 PolarHBondContact NZ-O 2.91Å; K534-T605 PolarHBondContact NZ-OG1 2.54Å; V585-T605 HydrophobicContact CG1-CG2 3.5Å; V585-T605 VanDerWaalsContact CG1-CG2 3.5Å; V601-T605 WeakPolarHBondContact O-CG2 3.48Å; V601-T605 PolarHBondContact O-N 2.63Å; L602-T605 PolarHBondContact O-OG1 2.71Å; Q603-T605 VanDerWaalsContact C-N 3.27Å; Q603-T605 PolarHBondContact O-N 2.98Å; T605-I609 HydrophobicContact CG2-CD1 4.04Å; T605-I609 HydrophobicContact CG2-CG1 4.37Å; T605-I609 HydrophobicContact CG2-CG2 3.69Å; T605-I609 WeakPolarHBondContact OG1-CD1 3.12Å
606	G	90.6	Very high	94.3	Very high	37 Å²	37	52.1 Å²	52.1	38%	0.381	27%	0.265	S	S	.	.			trans	-73.6	-166.4	178.9	0	0	0	0	0	115.5	K534	K534-G606 WeakPolarHBondContact CD-O 3.3Å
607	E	91.8	Very high	93.7	Very high	116 Å²	116	52.1 Å²	52.1	54%	0.542	26%	0.264	S	S	.	.	S	Bend	trans	-73	-42.1	170.9	-171.5	-171.3	159.4	0	0	111.4	R533 K534	R533-E607 CarbonylContact C-O 3.56Å; R533-E607 WeakPolarHBondContact CA-O 3.49Å; R533-E607 HydrophobicContact CG-CG 4.33Å; R533-E607 IonicContact CZ-OE1 2.63Å; R533-E607 IonicContact NE-OE1 2.71Å; R533-E607 PolarHBondContact NE-OE1 2.98Å; R533-E607 IonicContact NH2-OE1 3.91Å; R533-E607 PolarHBondContact NH2-OE1 3.37Å; K534-E607 PolarHBondContact N-O 2.67Å
608	I	93.5	Very high	93.1	Very high	118 Å²	118	54.5 Å²	54.5	61%	0.605	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.1	168.6	-56.9	174.7	0	0	0	106.3	F532	F532-I608 CarbonylContact O-C 3.53Å; F532-I608 WeakPolarHBondContact O-CA 3Å
609	I	95.3	Very high	91.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.1	-171.2	-47.9	177.6	0	0	0	107.4	F532 K534 L539 V585 D586 T605 F611	F532-I609 HydrophobicContact CD1-CD1 4.23Å; F532-I609 PolarHBondContact N-O 3.39Å; F532-I609 PolarHBondContact O-N 3.39Å; K534-I609 HydrophobicContact CB-CD1 4.11Å; K534-I609 HydrophobicContact CD-CD1 4.22Å; K534-I609 HydrophobicContact CG-CD1 4.42Å; L539-I609 HydrophobicContact CD2-CD1 3.26Å; V585-I609 HydrophobicContact CG1-CG2 3.75Å; D586-I609 VanDerWaalsContact OD1-CA 3.26Å; D586-I609 WeakPolarHBondContact OD1-CA 3.21Å; D586-I609 WeakPolarHBondContact OD1-CG2 3.03Å; T605-I609 HydrophobicContact CG2-CD1 4.04Å; T605-I609 HydrophobicContact CG2-CG1 4.37Å; T605-I609 HydrophobicContact CG2-CG2 3.69Å; T605-I609 WeakPolarHBondContact OG1-CD1 3.12Å; I609-F611 HydrophobicContact CB-CD2 4.27Å; I609-F611 HydrophobicContact CB-CE2 3.86Å; I609-F611 HydrophobicContact CD1-CE2 4.38Å; I609-F611 HydrophobicContact CG2-CD2 3.88Å; I609-F611 HydrophobicContact CG2-CE1 4.46Å; I609-F611 HydrophobicContact CG2-CE2 3.46Å; I609-F611 VanDerWaalsContact CG2-CE2 3.46Å; I609-F611 HydrophobicContact CG2-CZ 3.79Å
610	H	96.4	Very high	90.6	Very high	63 Å²	63	61 Å²	61	29%	0.292	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	110.8	176.9	-173.1	80.3	0	0	0	109.8	E529 D531 V585 D586	E529-H610 IonicContact OE2-CE1 3.47Å; E529-H610 IonicContact OE2-NE2 3.47Å; D531-H610 IonicContact OD1-CE1 3.4Å; D531-H610 IonicContact OD1-CG 3.71Å; D531-H610 IonicContact OD1-ND1 2.68Å; D531-H610 PolarHBondContact OD1-ND1 3.43Å; V585-H610 WeakPolarHBondContact CA-O 3.34Å; D586-H610 PolarHBondContact N-O 2.95Å; D586-H610 PolarHBondContact OD1-N 2.81Å
611	F	97.2	Very high	89.4	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.3	177	-73.3	-83.6	0	0	0	111.6	E529 I530 F532 L539 I582 Q584 V585 L602 I609 I613	E529-F611 CarbonylContact C-O 3.55Å; E529-F611 WeakPolarHBondContact CA-O 3.44Å; I530-F611 HydrophobicContact CB-CB 4.25Å; I530-F611 PolarHBondContact N-O 2.89Å; I530-F611 PolarHBondContact O-N 3.46Å; F532-F611 HydrophobicContact CB-CD2 3.7Å; F532-F611 HydrophobicContact CB-CE2 3.8Å; F532-F611 AromaticContact CD1-CE2 3.78Å; F532-F611 HydrophobicContact CD1-CE2 3.78Å; F532-F611 HydrophobicContact CG-CD2 4.31Å; F532-F611 AromaticContact CG-CE2 3.99Å; F532-F611 HydrophobicContact CG-CE2 3.99Å; L539-F611 HydrophobicContact CD1-CZ 4.43Å; I582-F611 HydrophobicContact CG2-CD1 3.92Å; I582-F611 HydrophobicContact CG2-CE1 4.2Å; Q584-F611 WeakPolarHBondContact O-CA 3.2Å; V585-F611 HydrophobicContact CB-CE1 4.47Å; V585-F611 HydrophobicContact CG1-CD1 4.37Å; V585-F611 HydrophobicContact CG1-CE1 4.02Å; V585-F611 HydrophobicContact CG1-CZ 4.45Å; V585-F611 HydrophobicContact CG2-CD1 3.77Å; V585-F611 HydrophobicContact CG2-CE1 3.7Å; L602-F611 HydrophobicContact CD2-CE1 3.68Å; L602-F611 HydrophobicContact CD2-CZ 4.06Å; I609-F611 HydrophobicContact CB-CD2 4.27Å; I609-F611 HydrophobicContact CB-CE2 3.86Å; I609-F611 HydrophobicContact CD1-CE2 4.38Å; I609-F611 HydrophobicContact CG2-CD2 3.88Å; I609-F611 HydrophobicContact CG2-CE1 4.46Å; I609-F611 HydrophobicContact CG2-CE2 3.46Å; I609-F611 VanDerWaalsContact CG2-CE2 3.46Å; I609-F611 HydrophobicContact CG2-CZ 3.79Å; F611-I613 HydrophobicContact CB-CD1 4.01Å; F611-I613 HydrophobicContact CB-CG1 4.12Å; F611-I613 HydrophobicContact CD1-CD1 4.18Å; F611-I613 HydrophobicContact CG-CD1 4.39Å
612	V	97.4	Very high	88.5	Confident	13 Å²	13	60.1 Å²	60.1	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.7	156.1	-176.6	0	0	0	0	107.8	M527 E529 V583 Q584	M527-V612 HydrophobicContact CE-CG1 3.6Å; E529-V612 HydrophobicContact CG-CG2 4.22Å; V583-V612 HydrophobicContact CB-CB 4.26Å; V583-V612 HydrophobicContact CB-CG1 4.07Å; V583-V612 WeakPolarHBondContact CB-O 3.18Å; V583-V612 HydrophobicContact CG1-CG1 4.4Å; V583-V612 PolarHBondContact N-O 3.36Å; Q584-V612 HydrophobicContact CB-CB 3.74Å; Q584-V612 HydrophobicContact CB-CG2 3.78Å; Q584-V612 PolarHBondContact N-O 3.46Å; Q584-V612 PolarHBondContact O-N 3.43Å
613	I	96.8	Very high	87.6	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.5	-179.7	-58.8	-55.9	0	0	0	109.6	M527 F528 I530 D580 Q581 I582 F611	M527-I613 CarbonylContact C-O 3.52Å; M527-I613 WeakPolarHBondContact CA-O 3.37Å; F528-I613 HydrophobicContact CD1-CB 4.45Å; F528-I613 HydrophobicContact CE1-CB 3.99Å; F528-I613 HydrophobicContact CE1-CG2 3.67Å; F528-I613 HydrophobicContact CE2-CB 4.23Å; F528-I613 HydrophobicContact CE2-CG2 4.33Å; F528-I613 HydrophobicContact CZ-CB 3.86Å; F528-I613 HydrophobicContact CZ-CG2 3.53Å; F528-I613 PolarHBondContact N-O 3.12Å; F528-I613 PolarHBondContact O-N 2.75Å; I530-I613 HydrophobicContact CD1-CB 4.26Å; I530-I613 HydrophobicContact CD1-CG1 3.55Å; I530-I613 HydrophobicContact CG1-CG1 4.16Å; D580-I613 HydrophobicContact CB-CG2 3.74Å; Q581-I613 WeakPolarHBondContact O-CA 3.45Å; I582-I613 HydrophobicContact CB-CD1 4.34Å; I582-I613 HydrophobicContact CG1-CD1 4.11Å; I582-I613 HydrophobicContact CG2-CD1 4.26Å; F611-I613 HydrophobicContact CB-CD1 4.01Å; F611-I613 HydrophobicContact CB-CG1 4.12Å; F611-I613 HydrophobicContact CD1-CD1 4.18Å; F611-I613 HydrophobicContact CG-CD1 4.39Å
614	A	95.6	Very high	86.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.6	169.3	0	0	0	0	0	110.8	L522 M525 D526 M527 Q581 V583	L522-A614 HydrophobicContact CD2-CB 3.8Å; M525-A614 HydrophobicContact CB-CB 4.03Å; M525-A614 HydrophobicContact CE-CB 4.2Å; M525-A614 HydrophobicContact SD-CB 4.13Å; D526-A614 WeakPolarHBondContact O-CA 3.4Å; M527-A614 HydrophobicContact CG-CB 4.05Å; Q581-A614 HydrophobicContact CB-CB 4.33Å; Q581-A614 PolarHBondContact N-O 3.42Å; Q581-A614 PolarHBondContact O-N 3.24Å; V583-A614 HydrophobicContact CG2-CB 3.64Å
615	R	93.2	Very high	86.4	Confident	56 Å²	56	56 Å²	56	21%	0.211	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.4	180	-177.4	174.5	-68.1	153.2	2.8	110.7	D526 F528 R575 D580	D526-R615 PolarHBondContact N-O 3.16Å; D526-R615 PolarHBondContact O-N 2.94Å; F528-R615 HydrophobicContact CE1-CB 3.94Å; R575-R615 PolarHBondContact O-NH2 3.02Å; D580-R615 VanDerWaalsContact CG-NH2 3.31Å; D580-R615 IonicContact OD1-CZ 2.77Å; D580-R615 IonicContact OD1-NE 3.82Å; D580-R615 PolarHBondContact OD1-NE 2.81Å; D580-R615 IonicContact OD1-NH2 2.86Å; D580-R615 PolarHBondContact OD1-NH2 3.42Å; D580-R615 VanDerWaalsContact OD1-NH2 3.1Å; D580-R615 IonicContact OD2-CZ 2.7Å; D580-R615 IonicContact OD2-NE 3.81Å; D580-R615 IonicContact OD2-NH2 3.4Å; D580-R615 PolarHBondContact OD2-NH2 2.91Å
616	E	89.4	Confident	85.9	Confident	65 Å²	65	60.5 Å²	60.5	30%	0.304	31%	0.306	S	S	.	.			trans	-75	140.7	176.3	-163.7	173.5	156.3	0	0	110.4	M525 D618 P619 S622	M525-E616 HydrophobicContact CE-CB 4.22Å; E616-D618 VanDerWaalsContact C-N 3.3Å; E616-D618 PolarHBondContact O-N 3.27Å; E616-P619 WeakPolarHBondContact O-CD 3.3Å; E616-S622 WeakPolarHBondContact OE1-CA 3.3Å; E616-S622 WeakPolarHBondContact OE2-CA 3.13Å; E616-S622 WeakPolarHBondContact OE2-CB 3.5Å; E616-S622 PolarHBondContact OE2-OG 3.03Å
617	K	81.9	Confident	85.4	Confident	116 Å²	116	59.2 Å²	59.2	50%	0.504	29%	0.29	S	S	.	.	S	Bend	trans	-63.8	-30.9	-175.4	-70.8	166.1	173.6	69.9	0	113.5	D524 D526 P619	D524-K617 PolarHBondContact O-NZ 2.68Å; D526-K617 WeakPolarHBondContact OD1-CE 3.48Å; D526-K617 IonicContact OD1-NZ 3.67Å; D526-K617 PolarHBondContact OD1-NZ 2.68Å; D526-K617 WeakPolarHBondContact OD2-CG 3.49Å; K617-P619 WeakPolarHBondContact O-CD 3.28Å
618	D	80.9	Confident	84.8	Confident	104 Å²	104	53.8 Å²	53.8	56%	0.556	27%	0.265	S	S	*	.	S	Bend	trans	-118.4	71.2	177.2	-80.4	-51.1	0	0	0	111.6	E616 P620 N621 S622	E616-D618 VanDerWaalsContact C-N 3.3Å; E616-D618 PolarHBondContact O-N 3.27Å; D618-P620 VanDerWaalsContact C-CD 3.42Å; D618-N621 HydrophobicContact CB-CB 4.21Å; D618-N621 PolarHBondContact O-N 3.46Å; D618-S622 PolarHBondContact O-N 3.18Å
619	P	71.2	Confident	84.3	Confident	58 Å²	58	50.6 Å²	50.6	38%	0.377	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.4	-172.8	17.6	-26.9	0	0	0	116.4	E616 K617 N621 S622 A625	E616-P619 WeakPolarHBondContact O-CD 3.3Å; K617-P619 WeakPolarHBondContact O-CD 3.28Å; P619-N621 VanDerWaalsContact C-N 3.33Å; P619-N621 PolarHBondContact O-N 3.46Å; P619-S622 WeakPolarHBondContact O-CB 3.2Å; P619-S622 PolarHBondContact O-N 3.05Å; P619-A625 WeakPolarHBondContact O-CB 3.34Å
620	P	67.2	Low	83.5	Confident	106 Å²	106	54 Å²	54	69%	0.688	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.5	177.4	30.7	-36.9	0	0	0	114	D618	D618-P620 VanDerWaalsContact C-CD 3.42Å
621	N	69.4	Low	82.6	Confident	105 Å²	105	54.6 Å²	54.6	56%	0.561	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-15.8	174.6	-75.3	-46.6	0	0	0	112.6	D618 P619 K626	D618-N621 HydrophobicContact CB-CB 4.21Å; D618-N621 PolarHBondContact O-N 3.46Å; P619-N621 VanDerWaalsContact C-N 3.33Å; P619-N621 PolarHBondContact O-N 3.46Å; N621-K626 PolarHBondContact O-NZ 3.19Å
622	S	76.4	Confident	81.5	Confident	4 Å²	4	57.3 Å²	57.3	3%	0.028	28%	0.281	C	S	.	.			trans	-40.3	136	-178.8	177	0	0	0	0	113	E616 D618 P619 I624 A625 K626	E616-S622 WeakPolarHBondContact OE1-CA 3.3Å; E616-S622 WeakPolarHBondContact OE2-CA 3.13Å; E616-S622 WeakPolarHBondContact OE2-CB 3.5Å; E616-S622 PolarHBondContact OE2-OG 3.03Å; D618-S622 PolarHBondContact O-N 3.18Å; P619-S622 WeakPolarHBondContact O-CB 3.2Å; P619-S622 PolarHBondContact O-N 3.05Å; S622-I624 VanDerWaalsContact C-N 3.25Å; S622-I624 PolarHBondContact O-N 3.04Å; S622-I624 PolarHBondContact OG-N 2.9Å; S622-A625 PolarHBondContact O-N 3.38Å; S622-A625 PolarHBondContact OG-N 3.44Å; S622-K626 PolarHBondContact O-N 2.9Å
623	R	76.2	Confident	80.5	Confident	172 Å²	172	62.2 Å²	62.2	65%	0.649	30%	0.303	S	S	*	.	H	α-helix	trans	-56.4	-46.6	168.9	-176.5	-179	176.8	-162.4	-1.6	109.6	K626 I627	R623-K626 WeakPolarHBondContact O-CB 3.44Å; R623-K626 PolarHBondContact O-N 3.35Å; R623-I627 HydrophobicContact CG-CD1 4.39Å; R623-I627 WeakPolarHBondContact O-CG1 3.35Å; R623-I627 PolarHBondContact O-N 3.43Å; R623-I627 VanDerWaalsContact O-N 3.13Å
624	I	79.6	Confident	79.3	Confident	21 Å²	21	65.6 Å²	65.6	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-43.2	-176.7	-62.4	126.1	0	0	0	111.4	F560 S622 K626 I627 L628	F560-I624 HydrophobicContact CB-CG2 4.16Å; F560-I624 HydrophobicContact CD1-CB 4.48Å; F560-I624 HydrophobicContact CD1-CD1 4.09Å; F560-I624 HydrophobicContact CD1-CG1 4.07Å; F560-I624 HydrophobicContact CD1-CG2 3.75Å; F560-I624 HydrophobicContact CD2-CG2 4.34Å; F560-I624 HydrophobicContact CE1-CB 4.48Å; F560-I624 HydrophobicContact CE1-CD1 3.36Å; F560-I624 HydrophobicContact CE1-CG1 3.63Å; F560-I624 HydrophobicContact CE1-CG2 4.21Å; F560-I624 HydrophobicContact CE2-CG1 4.21Å; F560-I624 HydrophobicContact CG-CG2 3.82Å; F560-I624 HydrophobicContact CZ-CD1 3.71Å; F560-I624 HydrophobicContact CZ-CG1 3.72Å; S622-I624 VanDerWaalsContact C-N 3.25Å; S622-I624 PolarHBondContact O-N 3.04Å; S622-I624 PolarHBondContact OG-N 2.9Å; I624-K626 VanDerWaalsContact C-N 3.26Å; I624-K626 PolarHBondContact O-N 2.93Å; I624-I627 PolarHBondContact O-N 3.24Å; I624-I627 VanDerWaalsContact O-N 3.13Å; I624-L628 HydrophobicContact CG2-CD1 4.11Å; I624-L628 PolarHBondContact O-N 3.36Å
625	A	82.6	Confident	78.1	Confident	7 Å²	7	69.5 Å²	69.5	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-56.9	-41.2	176.9	0	0	0	0	0	112.1	Y579 P619 S622 L628 T629	Y579-A625 HydrophobicContact CD1-CB 4.02Å; Y579-A625 HydrophobicContact CD2-CB 4.26Å; Y579-A625 HydrophobicContact CE1-CB 4.12Å; Y579-A625 HydrophobicContact CE2-CB 4.35Å; Y579-A625 HydrophobicContact CG-CB 4.09Å; P619-A625 WeakPolarHBondContact O-CB 3.34Å; S622-A625 PolarHBondContact O-N 3.38Å; S622-A625 PolarHBondContact OG-N 3.44Å; A625-L628 PolarHBondContact O-N 3.12Å; A625-T629 WeakPolarHBondContact O-CB 3.37Å; A625-T629 PolarHBondContact O-N 3.22Å; A625-T629 PolarHBondContact O-OG1 2.69Å
626	K	82.2	Confident	77.3	Confident	106 Å²	106	71.3 Å²	71.3	46%	0.461	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-47.6	174.3	-67.1	162	-177.2	156.8	0	111.8	N621 S622 R623 I624 L628 T629 E630	N621-K626 PolarHBondContact O-NZ 3.19Å; S622-K626 PolarHBondContact O-N 2.9Å; R623-K626 WeakPolarHBondContact O-CB 3.44Å; R623-K626 PolarHBondContact O-N 3.35Å; I624-K626 VanDerWaalsContact C-N 3.26Å; I624-K626 PolarHBondContact O-N 2.93Å; K626-L628 VanDerWaalsContact C-N 3.26Å; K626-L628 PolarHBondContact O-N 3.14Å; K626-T629 PolarHBondContact O-N 3.31Å; K626-E630 WeakPolarHBondContact O-CB 3.33Å; K626-E630 WeakPolarHBondContact O-CG 3.47Å; K626-E630 PolarHBondContact O-N 2.96Å
627	I	79.5	Confident	76.5	Confident	11 Å²	11	73.5 Å²	73.5	6%	0.056	36%	0.361	C	S	.	.	H	α-helix	trans	-55.5	-42.4	176.1	-53.1	174.5	0	0	0	111.4	R623 I624 K631	R623-I627 HydrophobicContact CG-CD1 4.39Å; R623-I627 WeakPolarHBondContact O-CG1 3.35Å; R623-I627 PolarHBondContact O-N 3.43Å; R623-I627 VanDerWaalsContact O-N 3.13Å; I624-I627 PolarHBondContact O-N 3.24Å; I624-I627 VanDerWaalsContact O-N 3.13Å; I627-K631 WeakPolarHBondContact O-CG 3.43Å; I627-K631 PolarHBondContact O-N 2.9Å; I627-K631 VanDerWaalsContact O-N 3.09Å
628	L	79.9	Confident	75.8	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-79.4	-33.3	-176.2	-91.9	168.4	0	0	0	112.8	V544 K562 Y579 I624 A625 K626 K631 Q632	V544-L628 HydrophobicContact CB-CD2 4.32Å; V544-L628 HydrophobicContact CG1-CD1 3.87Å; V544-L628 HydrophobicContact CG1-CD2 3.81Å; V544-L628 HydrophobicContact CG1-CG 4.02Å; K562-L628 HydrophobicContact CB-CD2 3.8Å; K562-L628 HydrophobicContact CD-CD2 4.28Å; K562-L628 HydrophobicContact CG-CD2 3.7Å; Y579-L628 HydrophobicContact CD1-CB 3.93Å; Y579-L628 HydrophobicContact CD1-CD1 3.7Å; Y579-L628 HydrophobicContact CD1-CG 4.47Å; Y579-L628 HydrophobicContact CE1-CB 3.62Å; Y579-L628 HydrophobicContact CE1-CD1 4.15Å; I624-L628 HydrophobicContact CG2-CD1 4.11Å; I624-L628 PolarHBondContact O-N 3.36Å; A625-L628 PolarHBondContact O-N 3.12Å; K626-L628 VanDerWaalsContact C-N 3.26Å; K626-L628 PolarHBondContact O-N 3.14Å; L628-K631 PolarHBondContact O-N 3.48Å; L628-Q632 WeakPolarHBondContact O-CB 2.89Å; L628-Q632 VanDerWaalsContact O-CG 3.24Å; L628-Q632 WeakPolarHBondContact O-CG 3.42Å; L628-Q632 PolarHBondContact O-N 2.91Å
629	T	82	Confident	75.3	Confident	51 Å²	51	72.9 Å²	72.9	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-67.9	-41.2	170.5	-58.9	0	0	0	0	111.2	A625 K626 Q632 Q633	A625-T629 WeakPolarHBondContact O-CB 3.37Å; A625-T629 PolarHBondContact O-N 3.22Å; A625-T629 PolarHBondContact O-OG1 2.69Å; K626-T629 PolarHBondContact O-N 3.31Å; T629-Q632 PolarHBondContact O-N 3.47Å; T629-Q633 WeakPolarHBondContact O-CG 3.47Å; T629-Q633 PolarHBondContact O-N 3.05Å
630	E	78.9	Confident	75.2	Confident	71 Å²	71	74.7 Å²	74.7	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-54.1	-52.7	171.3	-75.3	161.9	-166.6	0	0	110.4	K626 Q632 Q633 E634 R1161	K626-E630 WeakPolarHBondContact O-CB 3.33Å; K626-E630 WeakPolarHBondContact O-CG 3.47Å; K626-E630 PolarHBondContact O-N 2.96Å; E630-Q632 PolarHBondContact O-N 3.49Å; E630-Q633 PolarHBondContact O-N 3.42Å; E630-E634 PolarHBondContact O-N 2.96Å; E630-R1161 IonicContact OE2-CZ 3.65Å; E630-R1161 IonicContact OE2-NH2 3.51Å; E630-R1161 PolarHBondContact OE2-NH2 3.17Å
631	K	76.9	Confident	74.9	Confident	77 Å²	77	73.7 Å²	73.7	34%	0.335	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-36.6	178.7	-75.9	-176.3	172.8	-169.3	0	114	I627 L628 Q633 E634 E635	I627-K631 WeakPolarHBondContact O-CG 3.43Å; I627-K631 PolarHBondContact O-N 2.9Å; I627-K631 VanDerWaalsContact O-N 3.09Å; L628-K631 PolarHBondContact O-N 3.48Å; K631-Q633 VanDerWaalsContact C-N 3.35Å; K631-E634 PolarHBondContact O-N 3.27Å; K631-E635 WeakPolarHBondContact O-CB 3.38Å; K631-E635 WeakPolarHBondContact O-CG 3.44Å; K631-E635 PolarHBondContact O-N 3.34Å
632	Q	75.2	Confident	74.4	Confident	59 Å²	59	70.6 Å²	70.6	28%	0.276	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-40	174.6	-77.2	168	-3.7	0	0	111	K562 L628 T629 E630 E635 D636	K562-Q632 PolarHBondContact O-NE2 3.22Å; L628-Q632 WeakPolarHBondContact O-CB 2.89Å; L628-Q632 VanDerWaalsContact O-CG 3.24Å; L628-Q632 WeakPolarHBondContact O-CG 3.42Å; L628-Q632 PolarHBondContact O-N 2.91Å; T629-Q632 PolarHBondContact O-N 3.47Å; E630-Q632 PolarHBondContact O-N 3.49Å; Q632-E635 PolarHBondContact O-N 2.86Å; Q632-D636 WeakPolarHBondContact O-CB 3.43Å; Q632-D636 VanDerWaalsContact O-CG 3.31Å; Q632-D636 PolarHBondContact O-N 3.14Å
633	Q	74.9	Confident	73.6	Confident	115 Å²	115	77 Å²	77	54%	0.537	37%	0.374	S	S	.	.	H	α-helix	trans	-66.3	-40.3	175.2	-71.7	171.6	1.2	0	0	112.5	T629 E630 K631 E637	T629-Q633 WeakPolarHBondContact O-CG 3.47Å; T629-Q633 PolarHBondContact O-N 3.05Å; E630-Q633 PolarHBondContact O-N 3.42Å; K631-Q633 VanDerWaalsContact C-N 3.35Å; Q633-E637 VanDerWaalsContact O-CB 3.3Å; Q633-E637 WeakPolarHBondContact O-CB 3.43Å; Q633-E637 WeakPolarHBondContact O-CG 3.28Å; Q633-E637 PolarHBondContact O-N 3.02Å
634	E	71.4	Confident	72.8	Confident	73 Å²	73	75.5 Å²	75.5	34%	0.341	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-45.7	172.8	-71.1	-179	140.1	0	0	111.5	E630 K631 E637 E638	E630-E634 PolarHBondContact O-N 2.96Å; K631-E634 PolarHBondContact O-N 3.27Å; E634-E637 PolarHBondContact O-N 3.02Å; E634-E638 PolarHBondContact O-N 2.91Å
635	E	70.3	Confident	71.8	Confident	82 Å²	82	80.9 Å²	80.9	38%	0.383	40%	0.397	S	S	.	.	H	α-helix	trans	-66.8	-43.4	178	-72.2	172.6	-155	0	0	112.7	K562 K631 Q632 E638 N639	K562-E635 IonicContact NZ-OE1 2.75Å; K562-E635 PolarHBondContact NZ-OE1 3.45Å; K562-E635 IonicContact NZ-OE2 3.6Å; K562-E635 PolarHBondContact NZ-OE2 2.91Å; K631-E635 WeakPolarHBondContact O-CB 3.38Å; K631-E635 WeakPolarHBondContact O-CG 3.44Å; K631-E635 PolarHBondContact O-N 3.34Å; Q632-E635 PolarHBondContact O-N 2.86Å; E635-E638 PolarHBondContact O-N 3.47Å; E635-N639 WeakPolarHBondContact O-CB 3.19Å; E635-N639 VanDerWaalsContact O-CG 3.27Å; E635-N639 PolarHBondContact O-N 3.16Å; E635-N639 PolarHBondContact O-ND2 2.64Å
636	D	76.5	Confident	70.6	Confident	93 Å²	93	83.2 Å²	83.2	50%	0.497	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-39.4	176	-75.3	-22.9	0	0	0	111.4	Q632 N639 N640	Q632-D636 WeakPolarHBondContact O-CB 3.43Å; Q632-D636 VanDerWaalsContact O-CG 3.31Å; Q632-D636 PolarHBondContact O-N 3.14Å; D636-N639 PolarHBondContact O-N 3.39Å; D636-N640 WeakPolarHBondContact O-CB 3.41Å; D636-N640 PolarHBondContact O-N 3.28Å; D636-N640 PolarHBondContact O-ND2 2.97Å
637	E	73.2	Confident	69.7	Low	111 Å²	111	81.9 Å²	81.9	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-41.6	173.8	-88.2	-162.1	-146.5	0	0	112.3	Q633 E634 K641	Q633-E637 VanDerWaalsContact O-CB 3.3Å; Q633-E637 WeakPolarHBondContact O-CB 3.43Å; Q633-E637 WeakPolarHBondContact O-CG 3.28Å; Q633-E637 PolarHBondContact O-N 3.02Å; E634-E637 PolarHBondContact O-N 3.02Å; E637-K641 WeakPolarHBondContact O-CB 3.49Å; E637-K641 WeakPolarHBondContact O-CD 3.38Å; E637-K641 WeakPolarHBondContact O-CG 3.44Å; E637-K641 PolarHBondContact O-N 3.33Å; E637-K641 WeakPolarHBondContact OE2-CE 3.3Å; E637-K641 IonicContact OE2-NZ 3.84Å; E637-K641 PolarHBondContact OE2-NZ 3.36Å
638	E	67.5	Low	68.6	Low	104 Å²	104	86 Å²	86	49%	0.486	44%	0.436	S	S	.	.	H	α-helix	trans	-69.4	-37.2	177.5	-72.7	-169.1	177.1	0	0	112.3	E634 E635 G642 S1157	E634-E638 PolarHBondContact O-N 2.91Å; E635-E638 PolarHBondContact O-N 3.47Å; E638-G642 PolarHBondContact O-N 3.06Å; E638-S1157 VanDerWaalsContact OE1-CB 3.28Å; E638-S1157 WeakPolarHBondContact OE1-CB 3.39Å; E638-S1157 PolarHBondContact OE1-OG 3.42Å
639	N	69.9	Low	67.6	Low	104 Å²	104	93.1 Å²	93.1	56%	0.556	47%	0.467	S	S	*	.	H	α-helix	trans	-62.7	-50.4	172.7	-73.6	-40.4	0	0	0	111.9	E635 D636 K641 G642 E643	E635-N639 WeakPolarHBondContact O-CB 3.19Å; E635-N639 VanDerWaalsContact O-CG 3.27Å; E635-N639 PolarHBondContact O-N 3.16Å; E635-N639 PolarHBondContact O-ND2 2.64Å; D636-N639 PolarHBondContact O-N 3.39Å; N639-K641 VanDerWaalsContact C-N 3.35Å; N639-K641 PolarHBondContact O-N 3.06Å; N639-G642 VanDerWaalsContact O-CA 3.32Å; N639-G642 WeakPolarHBondContact O-CA 3.46Å; N639-G642 PolarHBondContact O-N 3.37Å; N639-E643 PolarHBondContact O-N 2.74Å
640	N	68.8	Low	66.4	Low	95 Å²	95	97 Å²	97	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-42.5	177.5	-79.1	-74.8	0	0	0	111.7	D636 G642 E643 E644	D636-N640 WeakPolarHBondContact O-CB 3.41Å; D636-N640 PolarHBondContact O-N 3.28Å; D636-N640 PolarHBondContact O-ND2 2.97Å; N640-G642 PolarHBondContact O-N 2.78Å; N640-E643 PolarHBondContact O-N 3.03Å; N640-E644 PolarHBondContact O-N 3.29Å
641	K	62	Low	65.4	Low	85 Å²	85	98.1 Å²	98.1	37%	0.37	49%	0.489	S	S	.	.	H	α-helix	trans	-64.9	-20.7	173.5	-69.5	162	-162.5	165	0	112.9	E637 N639 K645	E637-K641 WeakPolarHBondContact O-CB 3.49Å; E637-K641 WeakPolarHBondContact O-CD 3.38Å; E637-K641 WeakPolarHBondContact O-CG 3.44Å; E637-K641 PolarHBondContact O-N 3.33Å; E637-K641 WeakPolarHBondContact OE2-CE 3.3Å; E637-K641 IonicContact OE2-NZ 3.84Å; E637-K641 PolarHBondContact OE2-NZ 3.36Å; N639-K641 VanDerWaalsContact C-N 3.35Å; N639-K641 PolarHBondContact O-N 3.06Å; K641-K645 WeakPolarHBondContact O-CB 3.28Å; K641-K645 WeakPolarHBondContact O-CD 3.42Å; K641-K645 WeakPolarHBondContact O-CG 3.37Å
642	G	59.4	Low	64.3	Low	41 Å²	41	99.7 Å²	99.7	42%	0.423	50%	0.496	S	S	.	.	H	α-helix	trans	-74.8	-50.1	170.5	0	0	0	0	0	112.1	E638 N639 N640 K645 A646	E638-G642 PolarHBondContact O-N 3.06Å; N639-G642 VanDerWaalsContact O-CA 3.32Å; N639-G642 WeakPolarHBondContact O-CA 3.46Å; N639-G642 PolarHBondContact O-N 3.37Å; N640-G642 PolarHBondContact O-N 2.78Å; G642-K645 PolarHBondContact O-N 2.84Å; G642-A646 PolarHBondContact O-N 3.33Å
643	E	59.1	Low	62.9	Low	139 Å²	139	107.1 Å²	107.1	65%	0.65	52%	0.522	S	S	*	.	H	α-helix	trans	-65.6	-43.9	178.9	-64.9	-164	161.5	0	0	112.3	N639 N640 K645 A646 V647	N639-E643 PolarHBondContact O-N 2.74Å; N640-E643 PolarHBondContact O-N 3.03Å; E643-K645 VanDerWaalsContact C-N 3.28Å; E643-K645 PolarHBondContact O-N 2.89Å; E643-A646 WeakPolarHBondContact O-CA 3.24Å; E643-A646 WeakPolarHBondContact O-CB 3.29Å; E643-A646 PolarHBondContact O-N 3Å; E643-V647 WeakPolarHBondContact O-CG2 3.43Å; E643-V647 PolarHBondContact O-N 3.22Å
644	E	59.1	Low	61.5	Low	140 Å²	140	107.4 Å²	107.4	65%	0.654	53%	0.527	S	S	*	.	H	α-helix	trans	-57.2	-41.1	173.8	-75.1	-168.7	143.6	0	0	111.7	N640 A646 V647 E648	N640-E644 PolarHBondContact O-N 3.29Å; E644-A646 VanDerWaalsContact C-N 3.31Å; E644-A646 PolarHBondContact O-N 3.07Å; E644-V647 PolarHBondContact O-N 2.99Å; E644-E648 VanDerWaalsContact O-CB 3.3Å; E644-E648 WeakPolarHBondContact O-CB 3.42Å; E644-E648 PolarHBondContact O-N 3.37Å
645	K	57.5	Low	60.3	Low	134 Å²	134	109.7 Å²	109.7	58%	0.583	54%	0.541	S	S	*	.	H	α-helix	trans	-72.5	-21.2	176.5	-73.4	172.8	-167.3	163	0	113.6	K641 G642 E643 K649	K641-K645 WeakPolarHBondContact O-CB 3.28Å; K641-K645 WeakPolarHBondContact O-CD 3.42Å; K641-K645 WeakPolarHBondContact O-CG 3.37Å; G642-K645 PolarHBondContact O-N 2.84Å; E643-K645 VanDerWaalsContact C-N 3.28Å; E643-K645 PolarHBondContact O-N 2.89Å; K645-K649 WeakPolarHBondContact O-CB 3.42Å; K645-K649 VanDerWaalsContact O-CG 3.28Å; K645-K649 WeakPolarHBondContact O-CG 3.28Å; K645-K649 PolarHBondContact O-N 3.17Å
646	A	59.3	Low	59	Low	55 Å²	55	112.3 Å²	112.3	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-75	-50.1	170.5	0	0	0	0	0	110.2	G642 E643 E644 E648 K649 E650	G642-A646 PolarHBondContact O-N 3.33Å; E643-A646 WeakPolarHBondContact O-CA 3.24Å; E643-A646 WeakPolarHBondContact O-CB 3.29Å; E643-A646 PolarHBondContact O-N 3Å; E644-A646 VanDerWaalsContact C-N 3.31Å; E644-A646 PolarHBondContact O-N 3.07Å; A646-E648 PolarHBondContact O-N 2.77Å; A646-K649 WeakPolarHBondContact O-CB 3.42Å; A646-K649 PolarHBondContact O-N 2.94Å; A646-K649 VanDerWaalsContact O-N 3.14Å; A646-E650 PolarHBondContact O-N 3.25Å
647	V	62.6	Low	57.1	Low	79 Å²	79	113 Å²	113	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-62.7	-41.3	177.8	176.5	0	0	0	0	111.5	E643 E644 K649 E650 L651	E643-V647 WeakPolarHBondContact O-CG2 3.43Å; E643-V647 PolarHBondContact O-N 3.22Å; E644-V647 PolarHBondContact O-N 2.99Å; V647-K649 VanDerWaalsContact C-N 3.28Å; V647-K649 PolarHBondContact O-N 3.26Å; V647-E650 PolarHBondContact O-N 2.89Å; V647-L651 HydrophobicContact CG1-CD1 3.91Å; V647-L651 HydrophobicContact CG1-CG 4.37Å; V647-L651 WeakPolarHBondContact O-CB 3.3Å; V647-L651 VanDerWaalsContact O-CG 3.31Å; V647-L651 WeakPolarHBondContact O-CG 3.35Å; V647-L651 PolarHBondContact O-N 2.95Å
648	E	57.1	Low	55.3	Low	97 Å²	97	112.9 Å²	112.9	45%	0.453	58%	0.582	S	S	.	*	H	α-helix	trans	-65.5	-31.5	176.6	-154.5	-149.8	-171.5	0	0	112.1	E644 A646 K652	E644-E648 VanDerWaalsContact O-CB 3.3Å; E644-E648 WeakPolarHBondContact O-CB 3.42Å; E644-E648 PolarHBondContact O-N 3.37Å; A646-E648 PolarHBondContact O-N 2.77Å; E648-K652 HydrophobicContact CG-CD 4.38Å; E648-K652 VanDerWaalsContact O-CB 3.3Å; E648-K652 WeakPolarHBondContact O-CB 3.5Å; E648-K652 WeakPolarHBondContact O-CG 3.39Å; E648-K652 PolarHBondContact O-N 3.33Å; E648-K652 WeakPolarHBondContact OE1-CE 3.38Å; E648-K652 IonicContact OE1-NZ 2.83Å; E648-K652 PolarHBondContact OE1-NZ 2.93Å; E648-K652 IonicContact OE2-NZ 3.64Å; E648-K652 PolarHBondContact OE2-NZ 3.3Å
649	K	57.3	Low	53.5	Low	151 Å²	151	115.9 Å²	115.9	66%	0.657	60%	0.601	S	S	*	*	H	α-helix	trans	-68.9	-43.5	172.4	-82.5	175.5	178.8	177.6	0	112.1	K645 A646 V647 K652 W653	K645-K649 WeakPolarHBondContact O-CB 3.42Å; K645-K649 VanDerWaalsContact O-CG 3.28Å; K645-K649 WeakPolarHBondContact O-CG 3.28Å; K645-K649 PolarHBondContact O-N 3.17Å; A646-K649 WeakPolarHBondContact O-CB 3.42Å; A646-K649 PolarHBondContact O-N 2.94Å; A646-K649 VanDerWaalsContact O-N 3.14Å; V647-K649 VanDerWaalsContact C-N 3.28Å; V647-K649 PolarHBondContact O-N 3.26Å; K649-K652 PolarHBondContact O-N 3.43Å; K649-W653 WeakPolarHBondContact O-CB 3.49Å; K649-W653 PolarHBondContact O-N 2.98Å
650	E	57.3	Low	51.7	Low	131 Å²	131	119.1 Å²	119.1	61%	0.612	61%	0.61	S	S	*	*	H	α-helix	trans	-63.6	-42.4	175.2	-67.8	-164.7	137.9	0	0	111.6	A646 V647 W653 N654	A646-E650 PolarHBondContact O-N 3.25Å; V647-E650 PolarHBondContact O-N 2.89Å; E650-W653 PolarHBondContact O-N 3.33Å; E650-N654 WeakPolarHBondContact O-CB 3.31Å; E650-N654 PolarHBondContact O-N 2.95Å; E650-N654 PolarHBondContact O-ND2 2.86Å; E650-N654 VanDerWaalsContact O-ND2 3.12Å
651	L	57.3	Low	49.7	Very low	96 Å²	96	123.6 Å²	123.6	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-63.7	-40.8	175.2	-70.5	170.7	0	0	0	112.2	V647 N655	V647-L651 HydrophobicContact CG1-CD1 3.91Å; V647-L651 HydrophobicContact CG1-CG 4.37Å; V647-L651 WeakPolarHBondContact O-CB 3.3Å; V647-L651 VanDerWaalsContact O-CG 3.31Å; V647-L651 WeakPolarHBondContact O-CG 3.35Å; V647-L651 PolarHBondContact O-N 2.95Å; L651-N655 WeakPolarHBondContact O-CB 3.49Å; L651-N655 PolarHBondContact O-N 3.09Å; L651-N655 VanDerWaalsContact O-N 3.14Å; L651-N655 PolarHBondContact O-ND2 2.95Å
652	K	55.6	Low	48.2	Very low	109 Å²	109	128.2 Å²	128.2	47%	0.474	64%	0.644	S	S	.	*	H	α-helix	trans	-67.6	-34.4	174.4	-80.7	168.7	175.2	164.5	0	112.8	E648 K649 N656	E648-K652 HydrophobicContact CG-CD 4.38Å; E648-K652 VanDerWaalsContact O-CB 3.3Å; E648-K652 WeakPolarHBondContact O-CB 3.5Å; E648-K652 WeakPolarHBondContact O-CG 3.39Å; E648-K652 PolarHBondContact O-N 3.33Å; E648-K652 WeakPolarHBondContact OE1-CE 3.38Å; E648-K652 IonicContact OE1-NZ 2.83Å; E648-K652 PolarHBondContact OE1-NZ 2.93Å; E648-K652 IonicContact OE2-NZ 3.64Å; E648-K652 PolarHBondContact OE2-NZ 3.3Å; K649-K652 PolarHBondContact O-N 3.43Å; K652-N656 VanDerWaalsContact O-CG 3.3Å; K652-N656 PolarHBondContact O-ND2 2.84Å
653	W	44.1	Very low	46.5	Very low	215 Å²	215	134.4 Å²	134.4	81%	0.814	66%	0.662	S	S	*	*	H	α-helix	trans	-68.4	-43.4	175.5	-153.4	-58.5	0	0	0	111.5	K649 E650	K649-W653 WeakPolarHBondContact O-CB 3.49Å; K649-W653 PolarHBondContact O-N 2.98Å; E650-W653 PolarHBondContact O-N 3.33Å
654	N	45.5	Very low	44.9	Very low	121 Å²	121	133.4 Å²	133.4	65%	0.647	67%	0.665	S	S	*	*	H	α-helix	trans	-72.1	-29.1	-177.2	-72.7	-35.8	0	0	0	113.8	E650	E650-N654 WeakPolarHBondContact O-CB 3.31Å; E650-N654 PolarHBondContact O-N 2.95Å; E650-N654 PolarHBondContact O-ND2 2.86Å; E650-N654 VanDerWaalsContact O-ND2 3.12Å
655	N	47.8	Very low	43.4	Very low	121 Å²	121	132.5 Å²	132.5	65%	0.647	67%	0.669	S	S	*	*	H	α-helix	trans	-81.1	-18.9	-178.5	-74.6	-40.8	0	0	0	114.5	L651 S657	L651-N655 WeakPolarHBondContact O-CB 3.49Å; L651-N655 PolarHBondContact O-N 3.09Å; L651-N655 VanDerWaalsContact O-N 3.14Å; L651-N655 PolarHBondContact O-ND2 2.95Å; N655-S657 PolarHBondContact O-N 3.31Å
656	N	41.4	Very low	41.9	Very low	137 Å²	137	130.8 Å²	130.8	73%	0.733	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	16.6	-176.4	-74.4	-11.2	0	0	0	115	K652	K652-N656 VanDerWaalsContact O-CG 3.3Å; K652-N656 PolarHBondContact O-ND2 2.84Å
657	S	37.9	Very low	40.3	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	9.9	-171.8	-169.1	0	0	0	0	115.2	N655	N655-S657 PolarHBondContact O-N 3.31Å
658	S	34.2	Very low	38.6	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	71%	0.708	S	S	*	*			trans	-140.4	28.2	-170.8	-165.5	0	0	0	0	116.8	K660	S658-K660 PolarHBondContact O-N 3.3Å; S658-K660 VanDerWaalsContact O-N 3.08Å
659	D	31.4	Very low	37.1	Very low	167 Å²	167	139.9 Å²	139.9	89%	0.893	72%	0.718	S	S	*	*			trans	-76.2	93.8	173.8	-90.1	-39.4	0	0	0	113.1
660	K	30.6	Very low	35.8	Very low	172 Å²	172	139.2 Å²	139.2	75%	0.748	72%	0.722	S	S	*	*			trans	-159.2	146.6	155.2	-133.5	167.9	-170.5	169.7	0	113.1	S658	S658-K660 PolarHBondContact O-N 3.3Å; S658-K660 VanDerWaalsContact O-N 3.08Å
661	Y	27.5	Very low	34.4	Very low	189 Å²	189	140.4 Å²	140.4	74%	0.741	73%	0.732	S	S	*	*			trans	84.3	77.3	174.1	-59.2	-77.7	0	0	0	118.8
662	Q	30.4	Very low	33	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	74%	0.744	S	S	*	*				100.6	151	107.9	-157.3	155.3	-10.1	0	0	118.5
663	E	23.5	Very low	31.6	Very low	171 Å²	171	142.7 Å²	142.7	80%	0.799	76%	0.761	S	S	*	*			trans	-118.5	174.9	-156.3	-164.8	-159	139.2	0	0	111.7
664	V	26.1	Very low	30.8	Very low	118 Å²	118	139.3 Å²	139.3	72%	0.715	76%	0.759	S	S	*	*			trans	84.6	141.7	158.6	-144	0	0	0	0	119.2
665	V	26.6	Very low	30.1	Very low	121 Å²	121	142.6 Å²	142.6	73%	0.733	78%	0.776	S	S	*	*			trans	94.9	78.2	160.3	-161.3	0	0	0	0	119.3
666	S	25.9	Very low	29.1	Very low	98 Å²	98	141.6 Å²	141.6	69%	0.685	78%	0.779	S	S	*	*				50.2	124	114.3	-51.9	0	0	0	0	124.4
667	T	25.6	Very low	28.6	Very low	125 Å²	125	139.3 Å²	139.3	77%	0.767	79%	0.787	S	S	*	*			trans	77.3	136.7	131.8	53.1	0	0	0	0	123.7
668	Q	28.3	Very low	28.3	Very low	186 Å²	186	136.7 Å²	136.7	87%	0.869	78%	0.777	S	S	*	*			trans	70.8	135.3	158.1	-82.5	175.1	-11.9	0	0	116.5
669	T	25.9	Very low	28.7	Very low	110 Å²	110	137 Å²	137	68%	0.675	77%	0.77	S	S	*	*			cis	-148.7	173.3	22	55.9	0	0	0	0	115.1
670	D	28	Very low	29.6	Very low	137 Å²	137	133.7 Å²	133.7	73%	0.733	76%	0.76	S	S	*	*			trans	61.8	109.5	147.7	-52.4	-30	0	0	0	124.5
671	N	28.4	Very low	30.5	Very low	156 Å²	156	129 Å²	129	83%	0.834	75%	0.746	S	S	*	*			trans	20.1	152.1	138.3	-59.7	-27.2	0	0	0	123.6
672	P	28.6	Very low	31.5	Very low	116 Å²	116	126 Å²	126	75%	0.753	74%	0.739	S	S	*	*			cis	-114.6	155.4	-9.7	38.8	-27.8	0	0	0	113.1
673	V	26	Very low	32.7	Very low	138 Å²	138	120.1 Å²	120.1	84%	0.836	72%	0.721	S	S	*	*			trans	-81.8	134.1	-177.5	173.2	0	0	0	0	111.6
674	N	26.5	Very low	34.3	Very low	143 Å²	143	114.8 Å²	114.8	77%	0.765	70%	0.698	S	S	*	*			trans	-65.7	149.7	172.6	-69.4	-66.5	0	0	0	111.7	S676	N674-S676 PolarHBondContact O-N 2.92Å
675	L	32.1	Very low	35.9	Very low	190 Å²	190	115.2 Å²	115.2	100%	0.995	69%	0.692	S	S	*	*			trans	-67.9	98.2	176.5	-70.5	165.7	0	0	0	111
676	S	27	Very low	37.7	Very low	101 Å²	101	114.1 Å²	114.1	71%	0.706	68%	0.682	S	S	*	*			trans	-120.5	127	177.4	62.5	0	0	0	0	111.7	N674	N674-S676 PolarHBondContact O-N 2.92Å
677	G	30.5	Very low	39.6	Very low	89 Å²	89	114.6 Å²	114.6	92%	0.918	68%	0.676	S	S	*	*	S	Bend	trans	64.5	95.4	158.9	0	0	0	0	0	117.1
678	G	30.4	Very low	41.5	Very low	52 Å²	52	112 Å²	112	54%	0.536	66%	0.657	S	S	.	*			trans	-171.6	-66.5	168.4	0	0	0	0	0	113.4	S680	G678-S680 PolarHBondContact O-N 3.23Å
679	D	44.5	Very low	43.3	Very low	115 Å²	115	104.6 Å²	104.6	62%	0.615	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	16.4	-141.3	-48.9	-19.2	0	0	0	115.8	E682 A683	D679-E682 PolarHBondContact O-N 3.38Å; D679-A683 WeakPolarHBondContact O-CB 3.44Å; D679-A683 PolarHBondContact O-N 3.48Å
680	S	48.5	Very low	45.2	Very low	99 Å²	99	103 Å²	103	69%	0.692	62%	0.617	S	S	*	*	H	α-helix	trans	-64.4	-43.4	179.8	54.7	0	0	0	0	112.4	G678 L684	G678-S680 PolarHBondContact O-N 3.23Å; S680-L684 WeakPolarHBondContact O-CB 3.38Å; S680-L684 PolarHBondContact O-N 3.49Å
681	T	49.5	Very low	46.7	Very low	73 Å²	73	98.7 Å²	98.7	45%	0.448	60%	0.601	S	S	.	*	H	α-helix	trans	-70.5	-38.2	176.1	50.7	0	0	0	0	111.9	L684 H685	T681-L684 PolarHBondContact O-N 3.05Å; T681-H685 WeakPolarHBondContact O-CB 3.24Å; T681-H685 PolarHBondContact O-N 3.37Å
682	E	50	Low	48.3	Very low	126 Å²	126	95.1 Å²	95.1	59%	0.589	59%	0.585	S	S	*	*	H	α-helix	trans	-73.3	-33.8	178.2	-166.7	159.6	-117.5	0	0	112.1	D679 H685 N686	D679-E682 PolarHBondContact O-N 3.38Å; E682-H685 PolarHBondContact O-N 3.01Å; E682-N686 WeakPolarHBondContact O-CB 3.33Å; E682-N686 PolarHBondContact O-N 3.34Å; E682-N686 PolarHBondContact O-ND2 3.04Å
683	A	55.3	Low	50	Low	58 Å²	58	96 Å²	96	48%	0.479	57%	0.573	S	S	.	*	H	α-helix	trans	-63.5	-44.7	168.4	0	0	0	0	0	111.6	D679 N686 L687	D679-A683 WeakPolarHBondContact O-CB 3.44Å; D679-A683 PolarHBondContact O-N 3.48Å; A683-N686 PolarHBondContact O-N 2.98Å; A683-L687 WeakPolarHBondContact O-CB 3.24Å; A683-L687 PolarHBondContact O-N 2.81Å
684	L	57.6	Low	51.8	Low	59 Å²	59	92.3 Å²	92.3	31%	0.309	55%	0.553	S	S	.	*	H	α-helix	trans	-60.6	-47.2	174.3	-170.9	83.7	0	0	0	111.3	S680 T681 N686 L687 I688 Q808	S680-L684 WeakPolarHBondContact O-CB 3.38Å; S680-L684 PolarHBondContact O-N 3.49Å; T681-L684 PolarHBondContact O-N 3.05Å; L684-N686 VanDerWaalsContact C-N 3.3Å; L684-N686 PolarHBondContact O-N 2.91Å; L684-L687 WeakPolarHBondContact O-CB 3.47Å; L684-L687 PolarHBondContact O-N 3.36Å; L684-L687 VanDerWaalsContact O-N 3.13Å; L684-I688 HydrophobicContact CD2-CD1 4.14Å; L684-I688 HydrophobicContact CG-CD1 3.9Å; L684-I688 WeakPolarHBondContact O-CG1 3.15Å; L684-I688 PolarHBondContact O-N 3.42Å; L684-Q808 WeakPolarHBondContact CD2-O 3.17Å
685	H	59.6	Low	53.3	Low	128 Å²	128	90.7 Å²	90.7	59%	0.593	54%	0.544	S	S	*	.	H	α-helix	trans	-61.3	-38.8	178.2	-122.2	-79.8	0	0	0	111.8	T681 E682 A689	T681-H685 WeakPolarHBondContact O-CB 3.24Å; T681-H685 PolarHBondContact O-N 3.37Å; E682-H685 PolarHBondContact O-N 3.01Å; H685-A689 WeakPolarHBondContact O-CB 3.32Å; H685-A689 PolarHBondContact O-N 3.46Å
686	N	63.6	Low	54.5	Low	97 Å²	97	89.2 Å²	89.2	52%	0.519	53%	0.53	S	S	.	.	H	α-helix	trans	-68.1	-39.4	173.4	-80.9	-59.8	0	0	0	112.2	E682 A683 L684 A689 V690	E682-N686 WeakPolarHBondContact O-CB 3.33Å; E682-N686 PolarHBondContact O-N 3.34Å; E682-N686 PolarHBondContact O-ND2 3.04Å; A683-N686 PolarHBondContact O-N 2.98Å; L684-N686 VanDerWaalsContact C-N 3.3Å; L684-N686 PolarHBondContact O-N 2.91Å; N686-A689 PolarHBondContact O-N 3.39Å; N686-V690 WeakPolarHBondContact O-CG2 3.42Å; N686-V690 PolarHBondContact O-N 3.18Å
687	L	66.2	Low	55.8	Low	109 Å²	109	89.6 Å²	89.6	57%	0.571	52%	0.52	S	S	*	.	H	α-helix	trans	-63.1	-46	175.5	-145.6	84.3	0	0	0	111.3	A683 L684 A689 V690 A691	A683-L687 WeakPolarHBondContact O-CB 3.24Å; A683-L687 PolarHBondContact O-N 2.81Å; L684-L687 WeakPolarHBondContact O-CB 3.47Å; L684-L687 PolarHBondContact O-N 3.36Å; L684-L687 VanDerWaalsContact O-N 3.13Å; L687-A689 VanDerWaalsContact C-N 3.35Å; L687-V690 PolarHBondContact O-N 3.14Å; L687-A691 WeakPolarHBondContact O-CB 3.41Å; L687-A691 PolarHBondContact O-N 2.84Å
688	I	65.2	Low	56.7	Low	70 Å²	70	87.7 Å²	87.7	36%	0.359	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-39.5	175.2	-67.4	168.9	0	0	0	110.7	L684 A691 T692	L684-I688 HydrophobicContact CD2-CD1 4.14Å; L684-I688 HydrophobicContact CG-CD1 3.9Å; L684-I688 WeakPolarHBondContact O-CG1 3.15Å; L684-I688 PolarHBondContact O-N 3.42Å; I688-A691 PolarHBondContact O-N 3.3Å; I688-T692 HydrophobicContact CG2-CG2 4.46Å; I688-T692 WeakPolarHBondContact O-CB 3.48Å; I688-T692 WeakPolarHBondContact O-CG2 3.41Å; I688-T692 PolarHBondContact O-N 3.13Å; I688-T692 PolarHBondContact O-OG1 3.26Å
689	A	65.6	Low	57.3	Low	30 Å²	30	91.8 Å²	91.8	25%	0.248	50%	0.499	C	S	.	.	H	α-helix	trans	-67	-36.5	175.6	0	0	0	0	0	112.6	H685 N686 L687 T692 R693	H685-A689 WeakPolarHBondContact O-CB 3.32Å; H685-A689 PolarHBondContact O-N 3.46Å; N686-A689 PolarHBondContact O-N 3.39Å; L687-A689 VanDerWaalsContact C-N 3.35Å; A689-T692 WeakPolarHBondContact CA-OG1 3.43Å; A689-T692 PolarHBondContact O-OG1 3.23Å; A689-R693 WeakPolarHBondContact O-CB 3.44Å; A689-R693 PolarHBondContact O-N 3.04Å
690	V	66.8	Low	57.2	Low	76 Å²	76	92.8 Å²	92.8	46%	0.461	50%	0.5	S	S	.	.	H	α-helix	trans	-67.4	-51.5	172.3	169.2	0	0	0	0	110.3	N686 L687 T692 R693 S694	N686-V690 WeakPolarHBondContact O-CG2 3.42Å; N686-V690 PolarHBondContact O-N 3.18Å; L687-V690 PolarHBondContact O-N 3.14Å; V690-T692 VanDerWaalsContact C-N 3.34Å; V690-T692 PolarHBondContact O-N 3.43Å; V690-R693 PolarHBondContact O-N 3.45Å; V690-S694 PolarHBondContact O-N 3.23Å; V690-S694 PolarHBondContact O-OG 3.32Å
691	A	59.4	Low	56.8	Low	48 Å²	48	98.5 Å²	98.5	40%	0.397	51%	0.507	S	S	.	.	H	α-helix	trans	-58.4	-42.8	179.3	0	0	0	0	0	112.6	L687 I688 L695	L687-A691 WeakPolarHBondContact O-CB 3.41Å; L687-A691 PolarHBondContact O-N 2.84Å; I688-A691 PolarHBondContact O-N 3.3Å; A691-L695 VanDerWaalsContact O-CB 3.26Å; A691-L695 WeakPolarHBondContact O-CB 3.19Å; A691-L695 PolarHBondContact O-N 3.06Å
692	T	61.7	Low	56.2	Low	80 Å²	80	100.7 Å²	100.7	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-72	-28.2	175.8	51.4	0	0	0	0	113.4	I688 A689 V690 K696	I688-T692 HydrophobicContact CG2-CG2 4.46Å; I688-T692 WeakPolarHBondContact O-CB 3.48Å; I688-T692 WeakPolarHBondContact O-CG2 3.41Å; I688-T692 PolarHBondContact O-N 3.13Å; I688-T692 PolarHBondContact O-OG1 3.26Å; A689-T692 WeakPolarHBondContact CA-OG1 3.43Å; A689-T692 PolarHBondContact O-OG1 3.23Å; V690-T692 VanDerWaalsContact C-N 3.34Å; V690-T692 PolarHBondContact O-N 3.43Å; T692-K696 WeakPolarHBondContact O-CB 3.42Å; T692-K696 PolarHBondContact O-N 3.22Å; T692-K696 VanDerWaalsContact O-N 3.1Å
693	R	63.3	Low	55.6	Low	135 Å²	135	102.6 Å²	102.6	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-70.9	-47.5	173	-165	-175.6	-63.5	104.9	-1.6	111	A689 V690 L695 K696 E697	A689-R693 WeakPolarHBondContact O-CB 3.44Å; A689-R693 PolarHBondContact O-N 3.04Å; V690-R693 PolarHBondContact O-N 3.45Å; R693-L695 VanDerWaalsContact C-N 3.31Å; R693-L695 PolarHBondContact O-N 2.88Å; R693-K696 CarbonylContact O-C 3.53Å; R693-K696 WeakPolarHBondContact O-CA 3.06Å; R693-K696 VanDerWaalsContact O-CB 3.22Å; R693-K696 WeakPolarHBondContact O-CB 3.48Å; R693-K696 PolarHBondContact O-N 2.94Å; R693-E697 WeakPolarHBondContact CG-OE1 3.4Å; R693-E697 WeakPolarHBondContact O-CG 3.27Å; R693-E697 PolarHBondContact O-N 3.4Å
694	S	64.5	Low	54.8	Low	60 Å²	60	106.6 Å²	106.6	42%	0.42	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-33.4	173.7	-59.1	0	0	0	0	112.9	V690 K696 E697 A698	V690-S694 PolarHBondContact O-N 3.23Å; V690-S694 PolarHBondContact O-OG 3.32Å; S694-K696 VanDerWaalsContact C-N 3.27Å; S694-K696 PolarHBondContact O-N 3.35Å; S694-E697 WeakPolarHBondContact CA-OE2 3.48Å; S694-E697 PolarHBondContact O-N 2.81Å; S694-A698 WeakPolarHBondContact O-CB 3.37Å; S694-A698 PolarHBondContact O-N 3.47Å
695	L	57.9	Low	54	Low	109 Å²	109	110.5 Å²	110.5	57%	0.571	56%	0.556	S	S	*	*	H	α-helix	trans	-68.6	-24.4	170.3	-171.9	65.6	0	0	0	112.9	A691 R693 K699	A691-L695 VanDerWaalsContact O-CB 3.26Å; A691-L695 WeakPolarHBondContact O-CB 3.19Å; A691-L695 PolarHBondContact O-N 3.06Å; R693-L695 VanDerWaalsContact C-N 3.31Å; R693-L695 PolarHBondContact O-N 2.88Å; L695-K699 WeakPolarHBondContact O-CG 3.48Å; L695-K699 PolarHBondContact O-N 2.89Å
696	K	57.5	Low	52.9	Low	160 Å²	160	112 Å²	112	70%	0.696	57%	0.569	S	S	*	*	H	α-helix	trans	-80.5	-36.3	173.5	-141.7	178	-176.1	-174.1	0	111.4	T692 R693 S694 K699 Q700	T692-K696 WeakPolarHBondContact O-CB 3.42Å; T692-K696 PolarHBondContact O-N 3.22Å; T692-K696 VanDerWaalsContact O-N 3.1Å; R693-K696 CarbonylContact O-C 3.53Å; R693-K696 WeakPolarHBondContact O-CA 3.06Å; R693-K696 VanDerWaalsContact O-CB 3.22Å; R693-K696 WeakPolarHBondContact O-CB 3.48Å; R693-K696 PolarHBondContact O-N 2.94Å; S694-K696 VanDerWaalsContact C-N 3.27Å; S694-K696 PolarHBondContact O-N 3.35Å; K696-K699 WeakPolarHBondContact O-CB 3.34Å; K696-K699 PolarHBondContact O-N 3.12Å; K696-Q700 PolarHBondContact O-N 3.11Å
697	E	54.2	Low	51.6	Low	108 Å²	108	114.5 Å²	114.5	51%	0.505	58%	0.582	S	S	.	*	H	α-helix	trans	-67.2	-41	171.8	-70.2	153.9	-169.9	0	0	110.9	R693 S694 K699 Q700	R693-E697 WeakPolarHBondContact CG-OE1 3.4Å; R693-E697 WeakPolarHBondContact O-CG 3.27Å; R693-E697 PolarHBondContact O-N 3.4Å; S694-E697 WeakPolarHBondContact CA-OE2 3.48Å; S694-E697 PolarHBondContact O-N 2.81Å; E697-K699 PolarHBondContact O-N 3.12Å; E697-Q700 WeakPolarHBondContact O-CA 3.26Å; E697-Q700 WeakPolarHBondContact O-CB 3.35Å; E697-Q700 PolarHBondContact O-N 3.28Å
698	A	49	Very low	50.4	Low	50 Å²	50	116.5 Å²	116.5	41%	0.413	59%	0.593	S	S	.	*	H	α-helix	trans	-61.9	-28	171.9	0	0	0	0	0	113.4	S694 Q700 W701 N702	S694-A698 WeakPolarHBondContact O-CB 3.37Å; S694-A698 PolarHBondContact O-N 3.47Å; A698-Q700 VanDerWaalsContact C-N 3.29Å; A698-W701 PolarHBondContact O-N 2.92Å; A698-N702 PolarHBondContact O-ND2 2.87Å
699	K	43.3	Very low	48.9	Very low	138 Å²	138	119.5 Å²	119.5	60%	0.6	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-72.7	-17.9	170.4	-78.6	179.6	173.7	-172.5	0	113.9	L695 K696 E697 W701	L695-K699 WeakPolarHBondContact O-CG 3.48Å; L695-K699 PolarHBondContact O-N 2.89Å; K696-K699 WeakPolarHBondContact O-CB 3.34Å; K696-K699 PolarHBondContact O-N 3.12Å; E697-K699 PolarHBondContact O-N 3.12Å; K699-W701 PolarHBondContact O-N 3.5Å
700	Q	43.2	Very low	47.6	Very low	136 Å²	136	125.3 Å²	125.3	64%	0.636	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-72.6	-14.5	173	-162.1	60.6	52.3	0	0	112.1	K696 E697 A698	K696-Q700 PolarHBondContact O-N 3.11Å; E697-Q700 WeakPolarHBondContact O-CA 3.26Å; E697-Q700 WeakPolarHBondContact O-CB 3.35Å; E697-Q700 PolarHBondContact O-N 3.28Å; A698-Q700 VanDerWaalsContact C-N 3.29Å
701	W	38.5	Very low	46	Very low	219 Å²	219	130.5 Å²	130.5	83%	0.83	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-103.5	16.7	179.7	-72.3	74.7	0	0	0	113.7	A698 K699	A698-W701 PolarHBondContact O-N 2.92Å; K699-W701 PolarHBondContact O-N 3.5Å
702	N	37.9	Very low	44.8	Very low	118 Å²	118	136.6 Å²	136.6	63%	0.631	68%	0.677	S	S	*	*	S	Bend	trans	-141.5	63.7	-179.3	-72	-100.5	0	0	0	109.4	A698	A698-N702 PolarHBondContact O-ND2 2.87Å
703	K	37	Very low	43.5	Very low	166 Å²	166	140.6 Å²	140.6	72%	0.722	70%	0.695	S	S	*	*	S	Bend	trans	-139.2	13.6	-179.6	-145	-163.2	173.9	-168.2	0	114.5
704	D	38.3	Very low	41.9	Very low	142 Å²	142	138.6 Å²	138.6	76%	0.759	71%	0.708	S	S	*	*	S	Bend	trans	-128.1	10.6	-171.2	-55.1	-61.4	0	0	0	112.8
705	D	40.9	Very low	40.4	Very low	141 Å²	141	144 Å²	144	75%	0.754	73%	0.73	S	S	*	*			trans	-126.8	30	-173.3	-61.8	-67.9	0	0	0	113.5
706	D	36.8	Very low	38.9	Very low	159 Å²	159	143.1 Å²	143.1	85%	0.85	74%	0.739	S	S	*	*			trans	-104	41.8	175.5	-79.6	-50.2	0	0	0	111.8
707	D	36.4	Very low	37.8	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	75%	0.745	S	S	*	*			trans	-133	87.4	178.8	-94.7	-44.2	0	0	0	111.4
708	D	42.1	Very low	36.6	Very low	151 Å²	151	144.7 Å²	144.7	81%	0.807	76%	0.756	S	S	*	*			trans	-175.7	97.4	157.4	-99.4	-25.1	0	0	0	108.1
709	N	33.4	Very low	35.7	Very low	134 Å²	134	150.6 Å²	150.6	72%	0.717	78%	0.775	S	S	*	*				81.3	158.2	80.1	-71.4	-48.5	0	0	0	114.5
710	D	36.6	Very low	35	Very low	152 Å²	152	148.7 Å²	148.7	81%	0.813	78%	0.78	S	S	*	*			trans	66	84.4	178	-51.8	-5.9	0	0	0	115.2
711	E	34	Very low	34.3	Very low	185 Å²	185	146.9 Å²	146.9	86%	0.864	78%	0.782	S	S	*	*				87.7	98.8	60.5	-169.9	169	-119.9	0	0	114
712	E	33.6	Very low	33.9	Very low	175 Å²	175	143.4 Å²	143.4	82%	0.818	78%	0.778	S	S	*	*				-174.3	146.3	122	-106.7	-174.2	179.3	0	0	113.3
713	D	35.5	Very low	33.4	Very low	164 Å²	164	144.5 Å²	144.5	88%	0.877	78%	0.784	S	S	*	*			trans	48.5	127.1	165.5	-76.9	3	0	0	0	123.2
714	A	30	Very low	32.9	Very low	94 Å²	94	141.8 Å²	141.8	78%	0.777	79%	0.785	S	S	*	*			trans	-131.9	151.2	-175.2	0	0	0	0	0	113.4
715	I	31.6	Very low	32.6	Very low	173 Å²	173	142.9 Å²	142.9	89%	0.887	79%	0.791	S	S	*	*			trans	-128.6	112.5	149.3	-60.3	-177.9	0	0	0	107.2
716	A	27.8	Very low	32	Very low	91 Å²	91	143.1 Å²	143.1	75%	0.752	79%	0.789	S	S	*	*			trans	-83.5	150	-177.9	0	0	0	0	0	112.5
717	I	33.9	Very low	31.8	Very low	163 Å²	163	145 Å²	145	84%	0.836	79%	0.792	S	S	*	*			trans	-134.5	131.7	152.8	-61.9	-177.1	0	0	0	107
718	D	28.6	Very low	31.3	Very low	138 Å²	138	146 Å²	146	74%	0.738	79%	0.786	S	S	*	*			trans	-27.9	136.1	171.9	-75.1	-21.1	0	0	0	115.2
719	E	31.5	Very low	30.7	Very low	173 Å²	173	147 Å²	147	81%	0.808	79%	0.791	S	S	*	*				60.3	137.3	75.7	-86.4	-154.5	-143	0	0	113.5
720	S	27.8	Very low	30.3	Very low	99 Å²	99	146.5 Å²	146.5	69%	0.692	79%	0.788	S	S	*	*			cis	-163	-169.4	1.1	48.9	0	0	0	0	110.4
721	S	28.9	Very low	29.9	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	79%	0.787	S	S	*	*			trans	116.5	114.2	144.7	-154.2	0	0	0	0	118.2
722	I	30.1	Very low	29.6	Very low	145 Å²	145	143.1 Å²	143.1	74%	0.744	78%	0.78	S	S	*	*			trans	72	106.3	156.7	-58.6	156.6	0	0	0	115.4
723	D	26.9	Very low	29.4	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	78%	0.781	S	S	*	*				74	123.6	50.6	-75.3	-48.6	0	0	0	116.8
724	C	26.8	Very low	29.1	Very low	110 Å²	110	142.1 Å²	142.1	74%	0.743	78%	0.78	S	S	*	*			trans	58	154	149.1	-64.9	0	0	0	0	119
725	D	32.5	Very low	29	Very low	165 Å²	165	144.8 Å²	144.8	88%	0.882	78%	0.782	S	S	*	*			cis	-126.1	170.8	25.2	-87.1	-53.7	0	0	0	115.7
726	M	28.1	Very low	29	Very low	146 Å²	146	144.7 Å²	144.7	72%	0.719	78%	0.783	S	S	*	*			trans	-110.3	138.5	177.6	177.6	-144.9	-51.4	0	0	109.9	Y728	M726-Y728 HydrophobicContact CG-CD2 3.86Å; M726-Y728 HydrophobicContact CG-CE2 4.09Å; M726-Y728 HydrophobicContact SD-CD2 3.59Å; M726-Y728 VanDerWaalsContact SD-CD2 3.59Å; M726-Y728 HydrophobicContact SD-CE2 3.75Å
727	E	31.8	Very low	29	Very low	198 Å²	198	144.1 Å²	144.1	93%	0.925	78%	0.778	S	S	*	*			trans	-140.3	124.4	157.9	-144.1	170.7	-140.9	0	0	111.6
728	Y	26	Very low	28.8	Very low	171 Å²	171	143.6 Å²	143.6	67%	0.671	78%	0.777	S	S	*	*			trans	-99.1	140.6	176.3	-93	-107.3	0	0	0	109.7	M726	M726-Y728 HydrophobicContact CG-CD2 3.86Å; M726-Y728 HydrophobicContact CG-CE2 4.09Å; M726-Y728 HydrophobicContact SD-CD2 3.59Å; M726-Y728 VanDerWaalsContact SD-CD2 3.59Å; M726-Y728 HydrophobicContact SD-CE2 3.75Å
729	L	29.9	Very low	28.9	Very low	172 Å²	172	144 Å²	144	90%	0.901	78%	0.78	S	S	*	*			trans	-129	108.3	148.9	-77.7	179.6	0	0	0	110.1
730	N	24.9	Very low	28.8	Very low	124 Å²	124	140.5 Å²	140.5	66%	0.663	77%	0.774	S	S	*	*			trans	-93.7	129.2	167.8	175.4	24.4	0	0	0	108.6
731	V	28.3	Very low	28.9	Very low	131 Å²	131	140.1 Å²	140.1	79%	0.794	77%	0.771	S	S	*	*			trans	-132.2	123	170.5	-177	0	0	0	0	108.5
732	N	28.3	Very low	29	Very low	134 Å²	134	140.7 Å²	140.7	72%	0.717	77%	0.773	S	S	*	*			trans	-73.7	160.6	-175.5	-65.3	-53.4	0	0	0	112.7	N734	N732-N734 PolarHBondContact O-N 2.87Å
733	N	28	Very low	28.9	Very low	157 Å²	157	141 Å²	141	84%	0.84	77%	0.774	S	S	*	*			trans	-49.1	133.7	164.3	-66.4	-34.6	0	0	0	112.1
734	N	28.9	Very low	29	Very low	161 Å²	161	139.1 Å²	139.1	86%	0.861	76%	0.764	S	S	*	*			trans	-157.5	151.3	133	-94.3	-38.9	0	0	0	108.9	N732	N732-N734 PolarHBondContact O-N 2.87Å
735	N	29.5	Very low	29.3	Very low	151 Å²	151	138.7 Å²	138.7	81%	0.807	76%	0.762	S	S	*	*			trans	-74	135.7	172.4	-44.8	-69.2	0	0	0	109
736	D	29.7	Very low	29.1	Very low	171 Å²	171	137.8 Å²	137.8	91%	0.914	76%	0.757	S	S	*	*			trans	-170.3	173.9	130.9	-100.8	-28	0	0	0	111.4
737	A	29.4	Very low	29.1	Very low	78 Å²	78	139.2 Å²	139.2	65%	0.645	76%	0.759	S	S	*	*			trans	-81	155.9	-156.3	0	0	0	0	0	117.4
738	N	28.9	Very low	29.2	Very low	152 Å²	152	134.9 Å²	134.9	81%	0.813	74%	0.739	S	S	*	*			trans	77	166.3	151.8	-57.6	-21.3	0	0	0	120.4
739	D	30	Very low	29.4	Very low	148 Å²	148	134.8 Å²	134.8	79%	0.791	75%	0.745	S	S	*	*			trans	67.8	73	161.5	-60.9	-3.6	0	0	0	120.8
740	S	30.3	Very low	29.2	Very low	98 Å²	98	136 Å²	136	69%	0.685	74%	0.743	S	S	*	*				45.3	94.2	124.2	65.5	0	0	0	0	121.5
741	S	30	Very low	29.3	Very low	91 Å²	91	141 Å²	141	64%	0.636	75%	0.752	S	S	*	*			trans	70.7	146.3	145.1	83.9	0	0	0	0	118.8
742	P	30	Very low	29.3	Very low	111 Å²	111	143.6 Å²	143.6	72%	0.721	75%	0.753	S	S	*	*				-145.2	59.4	87	40.3	-23.6	0	0	0	115.4	N744	P742-N744 PolarHBondContact O-N 3.07Å
743	I	28.6	Very low	29.3	Very low	151 Å²	151	142.9 Å²	142.9	77%	0.774	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-76.7	-7.2	170.8	-65.6	177.2	0	0	0	112.4	S745	I743-S745 PolarHBondContact O-N 3.36Å
744	N	29.6	Very low	29.4	Very low	102 Å²	102	141.3 Å²	141.3	55%	0.545	76%	0.76	S	S	.	*	G	3₁₀ helix	trans	-63.9	-5.1	177	-86.4	-45.4	0	0	0	116	P742 Q748	P742-N744 PolarHBondContact O-N 3.07Å; N744-Q748 VanDerWaalsContact O-CG 3.3Å; N744-Q748 WeakPolarHBondContact O-CG 3.44Å; N744-Q748 PolarHBondContact O-NE2 3.34Å
745	S	31.8	Very low	29.3	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-80.2	-37.4	-175.6	-162.1	0	0	0	0	113.9	I743	I743-S745 PolarHBondContact O-N 3.36Å
746	L	29.6	Very low	29.3	Very low	146 Å²	146	136 Å²	136	76%	0.764	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-30.1	-172.7	-163.7	62.9	0	0	0	113.4
747	F	27.6	Very low	29.2	Very low	176 Å²	176	131.2 Å²	131.2	77%	0.772	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-81.6	-14.8	-179.2	-102.4	-101	0	0	0	114.6	Q749	F747-Q749 VanDerWaalsContact C-N 3.34Å; F747-Q749 PolarHBondContact O-N 2.95Å
748	Q	33.1	Very low	29.2	Very low	108 Å²	108	134.6 Å²	134.6	51%	0.505	76%	0.759	S	S	.	*	G	3₁₀ helix	trans	-79.3	-7.5	-176.9	-76.9	-170.9	28.6	0	0	115.2	N744	N744-Q748 VanDerWaalsContact O-CG 3.3Å; N744-Q748 WeakPolarHBondContact O-CG 3.44Å; N744-Q748 PolarHBondContact O-NE2 3.34Å
749	Q	30.1	Very low	29.2	Very low	169 Å²	169	134.4 Å²	134.4	79%	0.79	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-83.4	-7.8	179.9	-67.9	-167.8	0	0	0	114.8	F747	F747-Q749 VanDerWaalsContact C-N 3.34Å; F747-Q749 PolarHBondContact O-N 2.95Å
750	F	27.6	Very low	29	Very low	196 Å²	196	133.3 Å²	133.3	86%	0.86	76%	0.756	S	S	*	*	S	Bend	trans	-114.9	4.8	179.1	-77.5	-81.4	0	0	0	115.2
751	R	26	Very low	28.9	Very low	230 Å²	230	138 Å²	138	87%	0.868	76%	0.764	S	S	*	*			trans	-131	80.7	172.6	-74.4	-165.1	-177.9	-171.1	4.6	113.1
752	K	28.4	Very low	28.7	Very low	185 Å²	185	138.7 Å²	138.7	80%	0.804	77%	0.77	S	S	*	*			trans	-162.8	131.8	157.9	-97.8	150.3	-175.7	170.2	0	105.6
753	S	28.3	Very low	28.5	Very low	120 Å²	120	141.7 Å²	141.7	84%	0.839	78%	0.778	S	S	*	*			cis	-147.3	152.8	17	49	0	0	0	0	112.3
754	S	29.7	Very low	28.3	Very low	124 Å²	124	142 Å²	142	87%	0.867	78%	0.781	S	S	*	*			trans	-135.2	127.8	167.4	175.2	0	0	0	0	109.4
755	S	27.9	Very low	28.1	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	79%	0.788	S	S	*	*			trans	179.8	121.2	167	54.4	0	0	0	0	112.7
756	G	28.5	Very low	27.7	Very low	87 Å²	87	146.5 Å²	146.5	90%	0.897	80%	0.798	S	S	*	*			trans	75.8	154	164.2	0	0	0	0	0	117.1
757	G	28.2	Very low	27.5	Very low	69 Å²	69	144.6 Å²	144.6	71%	0.711	80%	0.797	S	S	*	*			cis	168.8	117.3	-7.9	0	0	0	0	0	113.8
758	D	29	Very low	27.5	Very low	150 Å²	150	142.9 Å²	142.9	80%	0.802	80%	0.801	S	S	*	*			trans	47.9	151.4	153.6	-50.1	-26.1	0	0	0	123.8
759	N	28.1	Very low	27.2	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	82%	0.815	S	S	*	*			trans	95.7	72	156.7	-56.3	-66.6	0	0	0	120.9
760	V	26.1	Very low	27.1	Very low	125 Å²	125	144.3 Å²	144.3	76%	0.758	82%	0.816	S	S	*	*				24.4	114.3	120.5	-165.5	0	0	0	0	119.1
761	K	27.9	Very low	26.9	Very low	196 Å²	196	141.2 Å²	141.2	85%	0.852	81%	0.809	S	S	*	*			trans	168.7	101.5	132.5	-90.3	148.4	-167.4	170.9	0	108
762	S	25.6	Very low	26.9	Very low	107 Å²	107	139.8 Å²	139.8	75%	0.748	81%	0.805	S	S	*	*				59.2	108.9	75.1	-171.1	0	0	0	0	114
763	L	26.1	Very low	26.8	Very low	173 Å²	173	138.8 Å²	138.8	91%	0.906	80%	0.803	S	S	*	*			trans	-168.6	154.4	137.8	-104.6	167.6	0	0	0	110.8
764	N	24.9	Very low	26.8	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	80%	0.799	S	S	*	*			trans	-90.9	164.2	-170.6	-72.2	-9.2	0	0	0	114.7
765	G	25	Very low	26.6	Very low	66 Å²	66	139.8 Å²	139.8	68%	0.68	79%	0.791	S	S	*	*			trans	94.3	132.1	155.6	0	0	0	0	0	114.1
766	Y	24.6	Very low	26.6	Very low	232 Å²	232	139.4 Å²	139.4	91%	0.91	79%	0.789	S	S	*	*			cis	-158.6	156.1	41.5	-102.8	-96.4	0	0	0	111.4
767	S	25.5	Very low	26.5	Very low	106 Å²	106	141 Å²	141	74%	0.741	78%	0.784	S	S	*	*			trans	-80.3	148.8	164	-52.7	0	0	0	0	111.5
768	T	26.7	Very low	26.4	Very low	140 Å²	140	149 Å²	149	86%	0.859	79%	0.792	S	S	*	*			trans	-151.9	124.2	144.9	11.7	0	0	0	0	110.1
769	D	25.9	Very low	26.3	Very low	149 Å²	149	146 Å²	146	80%	0.797	78%	0.783	S	S	*	*			trans	-63.9	153.5	163.4	-55.6	-90.6	0	0	0	110.9
770	L	29	Very low	26.3	Very low	157 Å²	157	140.6 Å²	140.6	82%	0.822	76%	0.759	S	S	*	*			trans	-149.8	104.3	144.8	-116.7	172.7	0	0	0	110.6
771	N	24.2	Very low	26.5	Very low	132 Å²	132	138.3 Å²	138.3	71%	0.706	74%	0.742	S	S	*	*			trans	-67.2	130.3	173.6	-177.1	0.1	0	0	0	110
772	Y	25.1	Very low	26.7	Very low	200 Å²	200	139.2 Å²	139.2	78%	0.784	75%	0.746	S	S	*	*			trans	-138.1	112.9	165.7	-119.7	-87.5	0	0	0	110.7
773	Q	25.8	Very low	26.8	Very low	163 Å²	163	137.4 Å²	137.4	76%	0.762	74%	0.744	S	S	*	*			trans	-70.8	135.3	174.9	-62.8	175	-22.8	0	0	110.3
774	H	27.9	Very low	27.3	Very low	165 Å²	165	134.7 Å²	134.7	76%	0.764	73%	0.734	S	S	*	*			trans	-148.2	101.3	152.9	-99.2	-66.7	0	0	0	112.2
775	S	25.5	Very low	27.8	Very low	100 Å²	100	130.8 Å²	130.8	70%	0.699	72%	0.724	S	S	*	*			trans	37	103.7	145.6	55.7	0	0	0	0	119.2
776	S	27.9	Very low	28.6	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	72%	0.719	S	S	*	*			trans	-68	149.8	157.1	175.3	0	0	0	0	111.9
777	P	26.5	Very low	29	Very low	120 Å²	120	124.8 Å²	124.8	78%	0.779	71%	0.706	S	S	*	*			trans	-102.4	112.2	148.3	-1.2	21.4	0	0	0	111
778	R	26.9	Very low	29.8	Very low	238 Å²	238	121.6 Å²	121.6	90%	0.898	69%	0.687	S	S	*	*			trans	-61.4	133.2	156.8	-87	173.4	150	177.3	-8.7	108.9
779	S	27.8	Very low	30.6	Very low	86 Å²	86	116.9 Å²	116.9	60%	0.601	66%	0.659	S	S	*	*			trans	160.1	156.1	130.8	52.1	0	0	0	0	116.1	Q39	Q39-S779 PolarHBondContact NE2-OG 3.41Å
780	A	26.9	Very low	31.7	Very low	34 Å²	34	112.2 Å²	112.2	28%	0.281	64%	0.637	S	S	.	*			trans	72.2	106.6	147.3	0	0	0	0	0	122.1	R35	R35-A780 HydrophobicContact CG-CB 3.87Å; R35-A780 VanDerWaalsContact CZ-O 3.31Å; R35-A780 PolarHBondContact NE-O 2.91Å; R35-A780 PolarHBondContact NH2-O 2.87Å
781	L	29.8	Very low	32.7	Very low	77 Å²	77	112.8 Å²	112.8	40%	0.403	63%	0.628	S	S	.	*			trans	70.3	94.3	145.2	-81.1	64.2	0	0	0	119	R35 F38	R35-L781 PolarHBondContact NH2-O 3.28Å; F38-L781 HydrophobicContact CD2-CD2 4.28Å; F38-L781 HydrophobicContact CE2-CD2 4.36Å
782	K	33.9	Very low	34.1	Very low	215 Å²	215	115 Å²	115	94%	0.935	63%	0.626	S	S	*	*				22.6	101.8	112.8	-149	165.3	-171.9	171.8	0	115.2
783	G	27.8	Very low	35.3	Very low	68 Å²	68	111.3 Å²	111.3	70%	0.701	61%	0.611	S	S	*	*			trans	170.6	33.4	178.2	0	0	0	0	0	118.5
784	T	35.7	Very low	36.4	Very low	116 Å²	116	107.6 Å²	107.6	71%	0.712	60%	0.596	S	S	*	*			trans	-137.6	-8.8	-173.9	51.9	0	0	0	0	116.3	T786 A788	T784-T786 PolarHBondContact O-N 2.87Å; T784-A788 PolarHBondContact O-N 3.49Å
785	A	34.9	Very low	37.8	Very low	76 Å²	76	104.1 Å²	104.1	63%	0.628	58%	0.58	S	S	*	*	H	α-helix	trans	-58.3	-45.1	-172.1	0	0	0	0	0	113.2	S789	A785-S789 WeakPolarHBondContact O-CB 3.42Å; A785-S789 PolarHBondContact O-N 2.91Å
786	T	42.1	Very low	38.9	Very low	93 Å²	93	101.8 Å²	101.8	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-64.1	-47.1	-174.3	-30.6	0	0	0	0	112.5	T784 S789 T790	T784-T786 PolarHBondContact O-N 2.87Å; T786-S789 PolarHBondContact O-N 3.29Å; T786-T790 WeakPolarHBondContact O-CB 3.39Å; T786-T790 PolarHBondContact O-N 2.88Å; T786-T790 PolarHBondContact O-OG1 3.13Å
787	A	33.6	Very low	39.9	Very low	78 Å²	78	100.9 Å²	100.9	65%	0.645	55%	0.553	S	S	*	*	H	α-helix	trans	-67.4	-41.6	-178.5	0	0	0	0	0	112.3	R791	A787-R791 WeakPolarHBondContact O-CB 3.42Å; A787-R791 PolarHBondContact O-N 2.85Å
788	A	41.6	Very low	41	Very low	39 Å²	39	100.1 Å²	100.1	32%	0.322	54%	0.54	S	S	.	.	H	α-helix	trans	-68.4	-39.3	175.1	0	0	0	0	0	112.1	T784 R792	T784-A788 PolarHBondContact O-N 3.49Å; A788-R792 WeakPolarHBondContact O-CG 3.37Å; A788-R792 PolarHBondContact O-N 2.86Å
789	S	43.8	Very low	41.9	Very low	41 Å²	41	92.3 Å²	92.3	29%	0.287	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-50	174.6	-178.2	0	0	0	0	111.4	A785 T786 R791 R792 R793	A785-S789 WeakPolarHBondContact O-CB 3.42Å; A785-S789 PolarHBondContact O-N 2.91Å; T786-S789 PolarHBondContact O-N 3.29Å; S789-R791 PolarHBondContact O-N 3.31Å; S789-R792 PolarHBondContact O-N 2.72Å; S789-R793 VanDerWaalsContact O-CB 3.26Å; S789-R793 WeakPolarHBondContact O-CB 3.42Å; S789-R793 PolarHBondContact O-N 2.86Å; S789-R793 PolarHBondContact OG-NH2 2.93Å
790	T	47.9	Very low	42.6	Very low	52 Å²	52	96.5 Å²	96.5	32%	0.319	52%	0.518	S	S	.	.	H	α-helix	trans	-66.9	-35.8	179.1	-64.5	0	0	0	0	112.3	T786 R793 N794	T786-T790 WeakPolarHBondContact O-CB 3.39Å; T786-T790 PolarHBondContact O-N 2.88Å; T786-T790 PolarHBondContact O-OG1 3.13Å; T790-R793 PolarHBondContact O-N 3.39Å; T790-R793 PolarHBondContact OG1-NH1 2.82Å; T790-N794 WeakPolarHBondContact O-CB 3.26Å; T790-N794 PolarHBondContact O-N 3.45Å; T790-N794 PolarHBondContact O-OD1 2.99Å
791	R	51	Low	43.5	Very low	169 Å²	169	99 Å²	99	64%	0.638	53%	0.526	S	S	*	.	H	α-helix	trans	-62.7	-50.9	172.1	-177.5	171.3	174	165.2	2.2	112	A787 S789 R793 N794 E795	A787-R791 WeakPolarHBondContact O-CB 3.42Å; A787-R791 PolarHBondContact O-N 2.85Å; S789-R791 PolarHBondContact O-N 3.31Å; R791-R793 VanDerWaalsContact C-N 3.32Å; R791-R793 PolarHBondContact O-N 2.92Å; R791-N794 PolarHBondContact O-N 3.39Å; R791-E795 HydrophobicContact CG-CG 4.44Å; R791-E795 IonicContact CZ-OE1 3.09Å; R791-E795 IonicContact NE-OE1 2.69Å; R791-E795 PolarHBondContact NE-OE1 3.45Å; R791-E795 IonicContact NE-OE2 2.75Å; R791-E795 IonicContact NH2-OE1 2.68Å; R791-E795 PolarHBondContact NH2-OE1 3.43Å; R791-E795 WeakPolarHBondContact O-CB 3.34Å; R791-E795 WeakPolarHBondContact O-CG 3.35Å; R791-E795 PolarHBondContact O-N 3.25Å
792	R	54	Low	44.3	Very low	177 Å²	177	102 Å²	102	67%	0.668	53%	0.532	S	S	*	.	H	α-helix	trans	-61.3	-38.7	176.5	-69.9	175.7	-166.2	146	1.4	112.3	A788 S789 E795 A796	A788-R792 WeakPolarHBondContact O-CG 3.37Å; A788-R792 PolarHBondContact O-N 2.86Å; S789-R792 PolarHBondContact O-N 2.72Å; R792-E795 PolarHBondContact O-N 3.48Å; R792-A796 VanDerWaalsContact O-CB 3.27Å; R792-A796 WeakPolarHBondContact O-CB 3.27Å; R792-A796 PolarHBondContact O-N 2.89Å
793	R	49.8	Very low	44.8	Very low	123 Å²	123	96.4 Å²	96.4	46%	0.464	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.6	-171.6	-177.4	-63.3	100.7	7.4	111.2	S789 T790 R791 A796 I797	S789-R793 VanDerWaalsContact O-CB 3.26Å; S789-R793 WeakPolarHBondContact O-CB 3.42Å; S789-R793 PolarHBondContact O-N 2.86Å; S789-R793 PolarHBondContact OG-NH2 2.93Å; T790-R793 PolarHBondContact O-N 3.39Å; T790-R793 PolarHBondContact OG1-NH1 2.82Å; R791-R793 VanDerWaalsContact C-N 3.32Å; R791-R793 PolarHBondContact O-N 2.92Å; R793-A796 PolarHBondContact O-N 3.48Å; R793-I797 HydrophobicContact CG-CD1 4.05Å; R793-I797 WeakPolarHBondContact O-CB 3.46Å; R793-I797 WeakPolarHBondContact O-CD1 3.47Å; R793-I797 WeakPolarHBondContact O-CG1 3.31Å; R793-I797 PolarHBondContact O-N 2.83Å
794	N	49.8	Very low	45.5	Very low	85 Å²	85	95.4 Å²	95.4	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-70.8	-37.9	177.3	-69	-6.6	0	0	0	112.1	T790 R791 I797 M798	T790-N794 WeakPolarHBondContact O-CB 3.26Å; T790-N794 PolarHBondContact O-N 3.45Å; T790-N794 PolarHBondContact O-OD1 2.99Å; R791-N794 PolarHBondContact O-N 3.39Å; N794-I797 PolarHBondContact O-N 2.85Å; N794-M798 WeakPolarHBondContact O-CB 3.33Å; N794-M798 VanDerWaalsContact O-CG 3.27Å; N794-M798 WeakPolarHBondContact O-CG 3.29Å; N794-M798 PolarHBondContact O-N 3.13Å
795	E	56.4	Low	45.6	Very low	93 Å²	93	93.7 Å²	93.7	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-63.6	-42.7	173.1	-74.3	166.1	168	0	0	110.8	R791 R792 M798 E799	R791-E795 HydrophobicContact CG-CG 4.44Å; R791-E795 IonicContact CZ-OE1 3.09Å; R791-E795 IonicContact NE-OE1 2.69Å; R791-E795 PolarHBondContact NE-OE1 3.45Å; R791-E795 IonicContact NE-OE2 2.75Å; R791-E795 IonicContact NH2-OE1 2.68Å; R791-E795 PolarHBondContact NH2-OE1 3.43Å; R791-E795 WeakPolarHBondContact O-CB 3.34Å; R791-E795 WeakPolarHBondContact O-CG 3.35Å; R791-E795 PolarHBondContact O-N 3.25Å; R792-E795 PolarHBondContact O-N 3.48Å; E795-M798 PolarHBondContact O-N 2.86Å; E795-E799 WeakPolarHBondContact O-CB 3.4Å; E795-E799 PolarHBondContact O-N 3.39Å
796	A	48.1	Very low	45.7	Very low	51 Å²	51	95.1 Å²	95.1	42%	0.421	48%	0.48	S	S	.	.	H	α-helix	trans	-66.2	-39.1	174	0	0	0	0	0	113.4	R792 R793 E799 Y800	R792-A796 VanDerWaalsContact O-CB 3.27Å; R792-A796 WeakPolarHBondContact O-CB 3.27Å; R792-A796 PolarHBondContact O-N 2.89Å; R793-A796 PolarHBondContact O-N 3.48Å; A796-E799 PolarHBondContact O-N 3.33Å; A796-Y800 WeakPolarHBondContact O-CB 3.36Å; A796-Y800 PolarHBondContact O-N 3.34Å
797	I	50.3	Low	45.4	Very low	88 Å²	88	95.9 Å²	95.9	45%	0.451	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-43.6	173.9	-73.1	163.6	0	0	0	110.6	R793 N794 E799 Y800 I801	R793-I797 HydrophobicContact CG-CD1 4.05Å; R793-I797 WeakPolarHBondContact O-CB 3.46Å; R793-I797 WeakPolarHBondContact O-CD1 3.47Å; R793-I797 WeakPolarHBondContact O-CG1 3.31Å; R793-I797 PolarHBondContact O-N 2.83Å; N794-I797 PolarHBondContact O-N 2.85Å; I797-E799 VanDerWaalsContact C-N 3.31Å; I797-E799 PolarHBondContact O-N 2.87Å; I797-Y800 PolarHBondContact O-N 2.84Å; I797-I801 HydrophobicContact CG2-CD1 3.91Å; I797-I801 VanDerWaalsContact O-CG1 3.26Å; I797-I801 WeakPolarHBondContact O-CG1 3.44Å; I797-I801 PolarHBondContact O-N 2.86Å
798	M	48.6	Very low	45.4	Very low	103 Å²	103	97.5 Å²	97.5	51%	0.507	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-34.6	176.3	-72.4	-65	-65.3	0	0	112.1	N794 E795 I801 R802	N794-M798 WeakPolarHBondContact O-CB 3.33Å; N794-M798 VanDerWaalsContact O-CG 3.27Å; N794-M798 WeakPolarHBondContact O-CG 3.29Å; N794-M798 PolarHBondContact O-N 3.13Å; E795-M798 PolarHBondContact O-N 2.86Å; M798-I801 PolarHBondContact O-N 3.43Å; M798-R802 WeakPolarHBondContact O-CG 3.36Å; M798-R802 PolarHBondContact O-N 3.47Å
799	E	47.1	Very low	45	Very low	75 Å²	75	99.5 Å²	99.5	35%	0.35	48%	0.479	S	S	.	.	H	α-helix	trans	-72.2	-39.5	175.2	-162.9	57.6	-148.9	0	0	112.1	E795 A796 I797 I801 R802 Q803	E795-E799 WeakPolarHBondContact O-CB 3.4Å; E795-E799 PolarHBondContact O-N 3.39Å; A796-E799 PolarHBondContact O-N 3.33Å; I797-E799 VanDerWaalsContact C-N 3.31Å; I797-E799 PolarHBondContact O-N 2.87Å; E799-I801 VanDerWaalsContact C-N 3.27Å; E799-I801 PolarHBondContact O-N 2.99Å; E799-R802 WeakPolarHBondContact O-CB 3.26Å; E799-R802 PolarHBondContact O-N 2.95Å; E799-R802 VanDerWaalsContact O-N 3.13Å; E799-R802 WeakPolarHBondContact OE2-CD 3.44Å; E799-R802 IonicContact OE2-CZ 2.63Å; E799-R802 IonicContact OE2-NE 2.83Å; E799-R802 IonicContact OE2-NH1 2.64Å; E799-R802 PolarHBondContact OE2-NH1 2.83Å; E799-Q803 WeakPolarHBondContact O-CG 3.49Å; E799-Q803 PolarHBondContact O-N 3.11Å
800	Y	40.7	Very low	44.4	Very low	173 Å²	173	104.6 Å²	104.6	68%	0.678	50%	0.502	S	S	*	.	H	α-helix	trans	-62.4	-35.7	171.7	-160.2	-88.5	0	0	0	111.7	A796 I797 A804	A796-Y800 WeakPolarHBondContact O-CB 3.36Å; A796-Y800 PolarHBondContact O-N 3.34Å; I797-Y800 PolarHBondContact O-N 2.84Å; Y800-A804 VanDerWaalsContact O-CB 3.29Å; Y800-A804 WeakPolarHBondContact O-CB 3.49Å; Y800-A804 PolarHBondContact O-N 2.74Å
801	I	47.4	Very low	43.6	Very low	88 Å²	88	107 Å²	107	45%	0.451	52%	0.517	S	S	.	.	H	α-helix	trans	-67.5	-41	172	-70.2	164.7	0	0	0	111.2	I797 M798 E799 A804 V805	I797-I801 HydrophobicContact CG2-CD1 3.91Å; I797-I801 VanDerWaalsContact O-CG1 3.26Å; I797-I801 WeakPolarHBondContact O-CG1 3.44Å; I797-I801 PolarHBondContact O-N 2.86Å; M798-I801 PolarHBondContact O-N 3.43Å; E799-I801 VanDerWaalsContact C-N 3.27Å; E799-I801 PolarHBondContact O-N 2.99Å; I801-A804 PolarHBondContact O-N 2.79Å; I801-V805 WeakPolarHBondContact O-CG2 3.34Å; I801-V805 PolarHBondContact O-N 2.87Å
802	R	46.7	Very low	42.7	Very low	140 Å²	140	107 Å²	107	53%	0.528	52%	0.524	S	S	.	.	H	α-helix	trans	-61.7	-45.1	173.1	-74.2	-179.4	-171	124.4	2.1	111.7	M798 E799 V805 L806	M798-R802 WeakPolarHBondContact O-CG 3.36Å; M798-R802 PolarHBondContact O-N 3.47Å; E799-R802 WeakPolarHBondContact O-CB 3.26Å; E799-R802 PolarHBondContact O-N 2.95Å; E799-R802 VanDerWaalsContact O-N 3.13Å; E799-R802 WeakPolarHBondContact OE2-CD 3.44Å; E799-R802 IonicContact OE2-CZ 2.63Å; E799-R802 IonicContact OE2-NE 2.83Å; E799-R802 IonicContact OE2-NH1 2.64Å; E799-R802 PolarHBondContact OE2-NH1 2.83Å; R802-V805 PolarHBondContact O-N 3.27Å; R802-L806 WeakPolarHBondContact O-CB 3.38Å; R802-L806 VanDerWaalsContact O-CG 3.31Å; R802-L806 WeakPolarHBondContact O-CG 3.5Å; R802-L806 PolarHBondContact O-N 2.85Å
803	Q	44.8	Very low	41.5	Very low	97 Å²	97	105.2 Å²	105.2	45%	0.453	53%	0.527	S	S	.	.	H	α-helix	trans	-64.8	-42.4	178.3	-70.3	173.7	12.2	0	0	111.1	E799 V805 L806 I807	E799-Q803 WeakPolarHBondContact O-CG 3.49Å; E799-Q803 PolarHBondContact O-N 3.11Å; Q803-V805 VanDerWaalsContact C-N 3.31Å; Q803-V805 PolarHBondContact O-N 3.28Å; Q803-L806 PolarHBondContact O-N 2.89Å; Q803-I807 WeakPolarHBondContact O-CB 3.11Å; Q803-I807 WeakPolarHBondContact O-CD1 3.22Å; Q803-I807 WeakPolarHBondContact O-CG1 3.46Å; Q803-I807 PolarHBondContact O-N 3.26Å
804	A	41.3	Very low	40.6	Very low	47 Å²	47	104.1 Å²	104.1	39%	0.388	54%	0.535	S	S	.	.	H	α-helix	trans	-60.4	-38.2	173.3	0	0	0	0	0	112.8	Y800 I801 Q808	Y800-A804 VanDerWaalsContact O-CB 3.29Å; Y800-A804 WeakPolarHBondContact O-CB 3.49Å; Y800-A804 PolarHBondContact O-N 2.74Å; I801-A804 PolarHBondContact O-N 2.79Å; A804-Q808 PolarHBondContact O-N 2.79Å
805	V	38.3	Very low	39.7	Very low	80 Å²	80	104 Å²	104	49%	0.485	54%	0.538	S	S	.	.	H	α-helix	trans	-69.7	-41.3	174.4	169.9	0	0	0	0	111.7	I801 R802 Q803 I807 Q808	I801-V805 WeakPolarHBondContact O-CG2 3.34Å; I801-V805 PolarHBondContact O-N 2.87Å; R802-V805 PolarHBondContact O-N 3.27Å; Q803-V805 VanDerWaalsContact C-N 3.31Å; Q803-V805 PolarHBondContact O-N 3.28Å; V805-I807 VanDerWaalsContact C-N 3.3Å; V805-I807 PolarHBondContact O-N 3.38Å; V805-Q808 WeakPolarHBondContact O-CB 3.35Å; V805-Q808 PolarHBondContact O-N 2.91Å
806	L	36.5	Very low	38.5	Very low	106 Å²	106	106.8 Å²	106.8	56%	0.555	56%	0.556	S	S	*	*	H	α-helix	trans	-69	-26	176.3	-71.2	166.3	0	0	0	113.2	R802 Q803 Q808 D809	R802-L806 WeakPolarHBondContact O-CB 3.38Å; R802-L806 VanDerWaalsContact O-CG 3.31Å; R802-L806 WeakPolarHBondContact O-CG 3.5Å; R802-L806 PolarHBondContact O-N 2.85Å; Q803-L806 PolarHBondContact O-N 2.89Å; L806-Q808 VanDerWaalsContact C-N 3.32Å; L806-D809 PolarHBondContact O-N 3.37Å
807	I	35.3	Very low	37.8	Very low	108 Å²	108	112.3 Å²	112.3	55%	0.554	58%	0.577	S	S	*	*	H	α-helix	trans	-70.1	-31	172.8	-73.1	162.3	0	0	0	110.7	Q803 V805 D809 N810 V811	Q803-I807 WeakPolarHBondContact O-CB 3.11Å; Q803-I807 WeakPolarHBondContact O-CD1 3.22Å; Q803-I807 WeakPolarHBondContact O-CG1 3.46Å; Q803-I807 PolarHBondContact O-N 3.26Å; V805-I807 VanDerWaalsContact C-N 3.3Å; V805-I807 PolarHBondContact O-N 3.38Å; I807-D809 PolarHBondContact O-N 2.87Å; I807-N810 PolarHBondContact O-N 2.84Å; I807-N810 VanDerWaalsContact O-N 3.14Å; I807-V811 HydrophobicContact CG2-CG2 4.49Å
808	Q	34.4	Very low	36.9	Very low	112 Å²	112	114.4 Å²	114.4	52%	0.523	59%	0.588	S	S	.	*	H	α-helix	trans	-64.1	-24	176.4	-67.5	-175.8	-56.2	0	0	113.3	L684 A804 V805 L806 N810	L684-Q808 WeakPolarHBondContact CD2-O 3.17Å; A804-Q808 PolarHBondContact O-N 2.79Å; V805-Q808 WeakPolarHBondContact O-CB 3.35Å; V805-Q808 PolarHBondContact O-N 2.91Å; L806-Q808 VanDerWaalsContact C-N 3.32Å; Q808-N810 VanDerWaalsContact C-N 3.27Å; Q808-N810 PolarHBondContact O-N 3.43Å
809	D	33.2	Very low	36.1	Very low	82 Å²	82	116 Å²	116	44%	0.439	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	-9.6	176.6	-69.2	-38.3	0	0	0	113.9	L806 I807	L806-D809 PolarHBondContact O-N 3.37Å; I807-D809 PolarHBondContact O-N 2.87Å
810	N	31.3	Very low	35.4	Very low	147 Å²	147	122 Å²	122	79%	0.786	62%	0.624	S	S	*	*	S	Bend	trans	-122.9	2.8	-171.7	-89.2	-35.3	0	0	0	115.7	I807 Q808 H812	I807-N810 PolarHBondContact O-N 2.84Å; I807-N810 VanDerWaalsContact O-N 3.14Å; Q808-N810 VanDerWaalsContact C-N 3.27Å; Q808-N810 PolarHBondContact O-N 3.43Å; N810-H812 PolarHBondContact O-N 2.78Å
811	V	31.3	Very low	34.9	Very low	102 Å²	102	119.6 Å²	119.6	62%	0.618	63%	0.627	S	S	*	*			trans	-78.9	110.9	-179.3	179.9	0	0	0	0	111.5	I807 L813	I807-V811 HydrophobicContact CG2-CG2 4.49Å; V811-L813 PolarHBondContact O-N 3.05Å
812	H	31.1	Very low	34.1	Very low	169 Å²	169	123.4 Å²	123.4	78%	0.782	65%	0.648	S	S	*	*			trans	-68.3	124.5	166.1	-135.6	83	0	0	0	109.5	N810	N810-H812 PolarHBondContact O-N 2.78Å
813	L	30.2	Very low	33.4	Very low	141 Å²	141	127.5 Å²	127.5	74%	0.738	67%	0.666	S	S	*	*			trans	-67.2	136.3	175.3	-132.6	75.6	0	0	0	109.3	V811 T815	V811-L813 PolarHBondContact O-N 3.05Å; L813-T815 PolarHBondContact O-N 2.98Å; L813-T815 VanDerWaalsContact O-N 3.09Å
814	P	29.5	Very low	32.6	Very low	99 Å²	99	129.6 Å²	129.6	64%	0.643	69%	0.685	S	S	*	*			trans	-66	112.7	-177.8	24.4	-34.2	0	0	0	112	N816	P814-N816 PolarHBondContact O-N 3.42Å
815	T	30.9	Very low	32.1	Very low	84 Å²	84	134.1 Å²	134.1	52%	0.515	70%	0.703	S	S	.	*	G	3₁₀ helix	trans	-65.4	-2.7	-174	-27.7	0	0	0	0	114.8	L813 L817	L813-T815 PolarHBondContact O-N 2.98Å; L813-T815 VanDerWaalsContact O-N 3.09Å; T815-L817 PolarHBondContact O-N 3.1Å; T815-L817 VanDerWaalsContact O-N 3.13Å
816	N	31.8	Very low	31.7	Very low	151 Å²	151	140.4 Å²	140.4	81%	0.807	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-79.1	9.4	-168.7	-69.8	-24.6	0	0	0	115.6	P814	P814-N816 PolarHBondContact O-N 3.42Å
817	L	33.4	Very low	31.5	Very low	166 Å²	166	139.2 Å²	139.2	87%	0.869	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-107.4	1.6	178	-81.7	165.1	0	0	0	114.7	T815	T815-L817 PolarHBondContact O-N 3.1Å; T815-L817 VanDerWaalsContact O-N 3.13Å
818	I	32.3	Very low	31.4	Very low	133 Å²	133	141.9 Å²	141.9	68%	0.682	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-29.1	-174.5	-65.2	174.6	0	0	0	112.9	K820	I818-K820 PolarHBondContact O-N 2.92Å; I818-K820 VanDerWaalsContact O-N 3.16Å
819	N	30.4	Very low	31.2	Very low	136 Å²	136	142.5 Å²	142.5	73%	0.727	74%	0.741	S	S	*	*	S	Bend	trans	-93.2	51.1	-167.8	-64.7	-10.6	0	0	0	114.1
820	K	32	Very low	31.3	Very low	200 Å²	200	142.5 Å²	142.5	87%	0.87	75%	0.748	S	S	*	*			trans	-148.3	36.3	-178.8	-138.1	169.9	-169.8	171.4	0	118	I818	I818-K820 PolarHBondContact O-N 2.92Å; I818-K820 VanDerWaalsContact O-N 3.16Å
821	T	31.6	Very low	31.5	Very low	124 Å²	124	140.5 Å²	140.5	76%	0.761	74%	0.737	S	S	*	*			trans	-137	80.2	168.4	55.7	0	0	0	0	112.8	Y823	T821-Y823 PolarHBondContact O-N 3.39Å
822	D	29.5	Very low	31.7	Very low	167 Å²	167	140.8 Å²	140.8	89%	0.893	73%	0.734	S	S	*	*			trans	-72.7	72.6	160.3	-88.4	-41.8	0	0	0	110.2
823	Y	31.9	Very low	32.1	Very low	226 Å²	226	136.7 Å²	136.7	89%	0.886	72%	0.721	S	S	*	*			trans	-143.5	125.9	164.2	-93.5	-69.6	0	0	0	111.9	T821 D825	T821-Y823 PolarHBondContact O-N 3.39Å; Y823-D825 PolarHBondContact O-N 3.03Å
824	T	28.8	Very low	32.6	Very low	141 Å²	141	133.2 Å²	133.2	87%	0.865	71%	0.706	S	S	*	*			trans	-84.3	103.9	180	54.8	0	0	0	0	111.3
825	D	31.5	Very low	33	Very low	142 Å²	142	133.5 Å²	133.5	76%	0.759	70%	0.702	S	S	*	*			trans	-148.2	147.2	148	-140.5	-31.5	0	0	0	112.2	Y823	Y823-D825 PolarHBondContact O-N 3.03Å
826	K	28.9	Very low	33.4	Very low	212 Å²	212	133.2 Å²	133.2	92%	0.922	70%	0.703	S	S	*	*			trans	-113.5	56.2	-169.9	-76.5	-172.2	174.6	-179.5	0	112.7
827	S	32.7	Very low	34	Very low	81 Å²	81	131.3 Å²	131.3	57%	0.566	69%	0.692	S	S	*	*	S	Bend	trans	-158.1	166.6	161.2	63.5	0	0	0	0	112.3	N829	S827-N829 PolarHBondContact O-N 3.02Å
828	Q	32.9	Very low	34.7	Very low	165 Å²	165	127.5 Å²	127.5	77%	0.771	67%	0.672	S	S	*	*			trans	77.2	-5.2	173.3	-48.7	-163.1	10.8	0	0	120.3	S830	Q828-S830 PolarHBondContact O-N 2.88Å
829	N	30.7	Very low	35.7	Very low	124 Å²	124	125.8 Å²	125.8	66%	0.663	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	11.7	-178.8	-81.9	2.4	0	0	0	117.3	S827	S827-N829 PolarHBondContact O-N 3.02Å
830	S	34.4	Very low	36.8	Very low	83 Å²	83	123.4 Å²	123.4	58%	0.58	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-23	179.6	53.5	0	0	0	0	115	Q828	Q828-S830 PolarHBondContact O-N 2.88Å
831	N	35.6	Very low	37.8	Very low	104 Å²	104	116.6 Å²	116.6	56%	0.556	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-24.2	-167.6	-62.4	20.8	0	0	0	113.4	T834 D835	N831-T834 PolarHBondContact O-OG1 3.1Å; N831-D835 PolarHBondContact O-N 2.88Å
832	I	36.1	Very low	38.8	Very low	109 Å²	109	120.2 Å²	120.2	56%	0.559	64%	0.636	S	S	*	*	H	α-helix	trans	-73.5	-35.7	-177.8	-60.9	173.9	0	0	0	110.6	C836	I832-C836 PolarHBondContact O-N 3.45Å; I832-C836 PolarHBondContact O-SG 2.89Å
833	T	39.1	Very low	40.1	Very low	83 Å²	83	115.1 Å²	115.1	51%	0.509	62%	0.617	S	S	.	*	H	α-helix	trans	-66.3	-38.8	176.4	47	0	0	0	0	112.5	L837	T833-L837 WeakPolarHBondContact O-CB 3.38Å; T833-L837 VanDerWaalsContact O-CG 3.29Å; T833-L837 WeakPolarHBondContact O-CG 3.5Å; T833-L837 PolarHBondContact O-N 3.13Å
834	T	39.8	Very low	41.3	Very low	68 Å²	68	108.5 Å²	108.5	42%	0.417	60%	0.597	S	S	.	*	H	α-helix	trans	-65.6	-41	177.3	43.4	0	0	0	0	112.5	N831 L837 N838	N831-T834 PolarHBondContact O-OG1 3.1Å; T834-L837 PolarHBondContact O-N 3.17Å; T834-N838 VanDerWaalsContact O-CB 3.3Å; T834-N838 WeakPolarHBondContact O-CB 3.48Å; T834-N838 PolarHBondContact O-N 3.06Å; T834-N838 PolarHBondContact O-ND2 3.36Å; T834-N838 VanDerWaalsContact O-ND2 3.14Å
835	D	38.7	Very low	42.7	Very low	104 Å²	104	104.2 Å²	104.2	56%	0.556	58%	0.575	S	S	*	*	H	α-helix	trans	-71	-38	-179.1	-73	-12.5	0	0	0	112.2	N831 N838 T839	N831-D835 PolarHBondContact O-N 2.88Å; D835-N838 PolarHBondContact O-N 3.1Å; D835-T839 WeakPolarHBondContact O-CB 3.49Å; D835-T839 PolarHBondContact O-N 3.13Å; D835-T839 PolarHBondContact O-OG1 3.41Å
836	C	38.6	Very low	43.9	Very low	79 Å²	79	100.7 Å²	100.7	53%	0.534	56%	0.562	S	S	.	*	H	α-helix	trans	-61.1	-47.7	171.5	-71.4	0	0	0	0	112	I832 T839 V840	I832-C836 PolarHBondContact O-N 3.45Å; I832-C836 PolarHBondContact O-SG 2.89Å; C836-T839 PolarHBondContact O-N 3.4Å; C836-V840 WeakPolarHBondContact O-CG2 3.47Å; C836-V840 PolarHBondContact O-N 2.78Å
837	L	45.6	Very low	45.3	Very low	110 Å²	110	96.2 Å²	96.2	58%	0.576	54%	0.544	S	S	*	.	H	α-helix	trans	-64.9	-40.4	178.4	-72.9	170.1	0	0	0	112.3	T833 T834 T839 V840 S841	T833-L837 WeakPolarHBondContact O-CB 3.38Å; T833-L837 VanDerWaalsContact O-CG 3.29Å; T833-L837 WeakPolarHBondContact O-CG 3.5Å; T833-L837 PolarHBondContact O-N 3.13Å; T834-L837 PolarHBondContact O-N 3.17Å; L837-T839 VanDerWaalsContact C-N 3.34Å; L837-T839 PolarHBondContact O-N 2.89Å; L837-V840 PolarHBondContact O-N 3.18Å; L837-S841 VanDerWaalsContact O-CB 3.24Å; L837-S841 WeakPolarHBondContact O-CB 3.33Å; L837-S841 PolarHBondContact O-N 3.47Å
838	N	47.7	Very low	46.8	Very low	86 Å²	86	98.4 Å²	98.4	46%	0.46	55%	0.549	S	S	.	.	H	α-helix	trans	-60.1	-44	173.4	-75.5	-28.3	0	0	0	111.3	T834 D835 S841 W842	T834-N838 VanDerWaalsContact O-CB 3.3Å; T834-N838 WeakPolarHBondContact O-CB 3.48Å; T834-N838 PolarHBondContact O-N 3.06Å; T834-N838 PolarHBondContact O-ND2 3.36Å; T834-N838 VanDerWaalsContact O-ND2 3.14Å; D835-N838 PolarHBondContact O-N 3.1Å; N838-S841 PolarHBondContact O-N 3.44Å; N838-W842 VanDerWaalsContact O-CD1 3.24Å; N838-W842 PolarHBondContact O-N 3.31Å
839	T	52.7	Low	48.5	Very low	97 Å²	97	95.4 Å²	95.4	60%	0.595	53%	0.534	S	S	*	.	H	α-helix	trans	-64.3	-43.9	-179.5	-55	0	0	0	0	111.9	D835 C836 L837 W842 A843	D835-T839 WeakPolarHBondContact O-CB 3.49Å; D835-T839 PolarHBondContact O-N 3.13Å; D835-T839 PolarHBondContact O-OG1 3.41Å; C836-T839 PolarHBondContact O-N 3.4Å; L837-T839 VanDerWaalsContact C-N 3.34Å; L837-T839 PolarHBondContact O-N 2.89Å; T839-W842 PolarHBondContact O-N 3.35Å; T839-A843 PolarHBondContact O-N 2.88Å
840	V	53.7	Low	50	Low	86 Å²	86	93.4 Å²	93.4	52%	0.521	52%	0.524	S	S	.	.	H	α-helix	trans	-66.5	-39.9	175.5	174.7	0	0	0	0	111.6	C836 L837 A843 L844	C836-V840 WeakPolarHBondContact O-CG2 3.47Å; C836-V840 PolarHBondContact O-N 2.78Å; L837-V840 PolarHBondContact O-N 3.18Å; V840-A843 PolarHBondContact O-N 2.9Å; V840-L844 HydrophobicContact CG1-CD1 3.98Å; V840-L844 WeakPolarHBondContact O-CG 3.18Å; V840-L844 PolarHBondContact O-N 2.84Å
841	S	54.3	Low	51.5	Low	58 Å²	58	95 Å²	95	41%	0.406	52%	0.522	S	S	.	.	H	α-helix	trans	-60.8	-45.4	175.5	-173.4	0	0	0	0	112	L837 N838 A845	L837-S841 VanDerWaalsContact O-CB 3.24Å; L837-S841 WeakPolarHBondContact O-CB 3.33Å; L837-S841 PolarHBondContact O-N 3.47Å; N838-S841 PolarHBondContact O-N 3.44Å; S841-A845 VanDerWaalsContact O-CB 3.24Å; S841-A845 WeakPolarHBondContact O-CB 3.44Å; S841-A845 PolarHBondContact O-N 3.21Å
842	W	52.6	Low	52.9	Low	199 Å²	199	97.4 Å²	97.4	75%	0.754	52%	0.523	S	S	*	.	H	α-helix	trans	-64.6	-39.2	175.4	-86.2	108	0	0	0	113.1	N838 T839 A845 S846	N838-W842 VanDerWaalsContact O-CD1 3.24Å; N838-W842 PolarHBondContact O-N 3.31Å; T839-W842 PolarHBondContact O-N 3.35Å; W842-A845 PolarHBondContact O-N 3.38Å; W842-S846 PolarHBondContact O-N 3.35Å
843	A	56.7	Low	54.4	Low	60 Å²	60	94.4 Å²	94.4	50%	0.496	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-52.4	176.1	0	0	0	0	0	111.5	T839 V840 A845 S846 E847	T839-A843 PolarHBondContact O-N 2.88Å; V840-A843 PolarHBondContact O-N 2.9Å; A843-A845 VanDerWaalsContact C-N 3.31Å; A843-A845 PolarHBondContact O-N 3.21Å; A843-S846 WeakPolarHBondContact O-CB 3.1Å; A843-S846 PolarHBondContact O-N 3.48Å; A843-S846 VanDerWaalsContact O-N 3.16Å; A843-E847 PolarHBondContact O-N 3.36Å
844	L	57.2	Low	55.8	Low	88 Å²	88	96.2 Å²	96.2	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-61.4	-37.9	176.9	-70.8	169.7	0	0	0	112.2	V840 E847 L848	V840-L844 HydrophobicContact CG1-CD1 3.98Å; V840-L844 WeakPolarHBondContact O-CG 3.18Å; V840-L844 PolarHBondContact O-N 2.84Å; L844-E847 PolarHBondContact O-N 3.41Å; L844-L848 WeakPolarHBondContact O-CB 3.45Å; L844-L848 VanDerWaalsContact O-CG 3.24Å; L844-L848 WeakPolarHBondContact O-CG 3.21Å; L844-L848 PolarHBondContact O-N 3.43Å
845	A	56.7	Low	57.3	Low	50 Å²	50	97.5 Å²	97.5	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-37.5	175.8	0	0	0	0	0	112.6	S841 W842 A843 H849	S841-A845 VanDerWaalsContact O-CB 3.24Å; S841-A845 WeakPolarHBondContact O-CB 3.44Å; S841-A845 PolarHBondContact O-N 3.21Å; W842-A845 PolarHBondContact O-N 3.38Å; A843-A845 VanDerWaalsContact C-N 3.31Å; A843-A845 PolarHBondContact O-N 3.21Å; A845-H849 WeakPolarHBondContact O-CB 3.26Å; A845-H849 PolarHBondContact O-N 2.91Å
846	S	57.4	Low	58.7	Low	69 Å²	69	99.7 Å²	99.7	48%	0.483	52%	0.515	S	S	.	.	H	α-helix	trans	-67.7	-46.4	175.5	-163.6	0	0	0	0	111.5	W842 A843 L848 H849 D850	W842-S846 PolarHBondContact O-N 3.35Å; A843-S846 WeakPolarHBondContact O-CB 3.1Å; A843-S846 PolarHBondContact O-N 3.48Å; A843-S846 VanDerWaalsContact O-N 3.16Å; S846-L848 PolarHBondContact O-N 2.89Å; S846-H849 WeakPolarHBondContact O-CA 3.42Å; S846-H849 VanDerWaalsContact O-CB 3.31Å; S846-H849 WeakPolarHBondContact O-CB 3.27Å; S846-H849 PolarHBondContact O-N 3.47Å; S846-D850 PolarHBondContact O-N 3.42Å
847	E	59.2	Low	60.5	Low	118 Å²	118	101.7 Å²	101.7	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-63.7	-42.5	-179.9	-168.4	166.7	-138.6	0	0	111.7	A843 L844 H849 D850 H851	A843-E847 PolarHBondContact O-N 3.36Å; L844-E847 PolarHBondContact O-N 3.41Å; E847-H849 VanDerWaalsContact C-N 3.28Å; E847-H849 PolarHBondContact O-N 3.46Å; E847-D850 PolarHBondContact O-N 2.91Å; E847-H851 PolarHBondContact O-CD2 2.84Å; E847-H851 VanDerWaalsContact O-CD2 3.23Å; E847-H851 PolarHBondContact O-N 3.08Å
848	L	62.7	Low	61.8	Low	127 Å²	127	101.4 Å²	101.4	67%	0.665	51%	0.509	S	S	*	.	H	α-helix	trans	-63	-32	171.1	-72.3	171.1	0	0	0	112.9	L844 S846 R852	L844-L848 WeakPolarHBondContact O-CB 3.45Å; L844-L848 VanDerWaalsContact O-CG 3.24Å; L844-L848 WeakPolarHBondContact O-CG 3.21Å; L844-L848 PolarHBondContact O-N 3.43Å; S846-L848 PolarHBondContact O-N 2.89Å; L848-R852 WeakPolarHBondContact O-CB 3.45Å; L848-R852 PolarHBondContact O-N 3.38Å; L848-R852 VanDerWaalsContact O-N 3.11Å
849	H	69.6	Low	63.2	Low	101 Å²	101	101.8 Å²	101.8	47%	0.468	51%	0.508	S	S	.	.	H	α-helix	trans	-69.2	-45.5	174.7	-167	107.6	0	0	0	111.3	A845 S846 E847 R852 I853	A845-H849 WeakPolarHBondContact O-CB 3.26Å; A845-H849 PolarHBondContact O-N 2.91Å; S846-H849 WeakPolarHBondContact O-CA 3.42Å; S846-H849 VanDerWaalsContact O-CB 3.31Å; S846-H849 WeakPolarHBondContact O-CB 3.27Å; S846-H849 PolarHBondContact O-N 3.47Å; E847-H849 VanDerWaalsContact C-N 3.28Å; E847-H849 PolarHBondContact O-N 3.46Å; H849-R852 CarbonylContact O-C 3.57Å; H849-R852 WeakPolarHBondContact O-CA 3.42Å; H849-R852 WeakPolarHBondContact O-CB 3.34Å; H849-R852 PolarHBondContact O-N 2.92Å; H849-R852 VanDerWaalsContact O-N 3.12Å; H849-I853 VanDerWaalsContact CD2-CD1 3.48Å; H849-I853 WeakPolarHBondContact CD2-CD1 3.16Å; H849-I853 PolarHBondContact O-N 3.4Å
850	D	62.1	Low	64.2	Low	82 Å²	82	100.5 Å²	100.5	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-64.9	-43	177.9	-82.2	-42	0	0	0	112.1	S846 E847 R852 I853 Q854	S846-D850 PolarHBondContact O-N 3.42Å; E847-D850 PolarHBondContact O-N 2.91Å; D850-R852 PolarHBondContact O-N 2.85Å; D850-I853 WeakPolarHBondContact O-CB 3.45Å; D850-I853 PolarHBondContact O-N 2.68Å; D850-I853 VanDerWaalsContact O-N 3.09Å; D850-Q854 WeakPolarHBondContact O-CG 3.48Å; D850-Q854 PolarHBondContact O-N 3.11Å
851	H	65.5	Low	65.2	Low	117 Å²	117	104.1 Å²	104.1	54%	0.542	51%	0.507	S	S	.	.	H	α-helix	trans	-58.1	-37.7	171.6	-82.4	-122.4	0	0	0	111.6	E847 Q854 L855	E847-H851 PolarHBondContact O-CD2 2.84Å; E847-H851 VanDerWaalsContact O-CD2 3.23Å; E847-H851 PolarHBondContact O-N 3.08Å; H851-Q854 PolarHBondContact O-N 3.45Å; H851-L855 WeakPolarHBondContact O-CB 3.48Å; H851-L855 PolarHBondContact O-N 3.1Å
852	R	64.9	Low	66.2	Low	154 Å²	154	104.4 Å²	104.4	58%	0.581	50%	0.504	S	S	*	.	H	α-helix	trans	-69.7	-33.7	174.9	-169.8	179.2	-175.9	81.7	7.4	113	L848 H849 D850 R856	L848-R852 WeakPolarHBondContact O-CB 3.45Å; L848-R852 PolarHBondContact O-N 3.38Å; L848-R852 VanDerWaalsContact O-N 3.11Å; H849-R852 CarbonylContact O-C 3.57Å; H849-R852 WeakPolarHBondContact O-CA 3.42Å; H849-R852 WeakPolarHBondContact O-CB 3.34Å; H849-R852 PolarHBondContact O-N 2.92Å; H849-R852 VanDerWaalsContact O-N 3.12Å; D850-R852 PolarHBondContact O-N 2.85Å; R852-R856 PolarHBondContact O-N 3.17Å; R852-R856 VanDerWaalsContact O-N 3.12Å
853	I	67.3	Low	67.4	Low	47 Å²	47	102.2 Å²	102.2	24%	0.241	50%	0.496	C	S	.	.	H	α-helix	trans	-66.4	-46.1	171.1	-71.4	176.1	0	0	0	110.3	H849 D850 L855 R856 K857	H849-I853 VanDerWaalsContact CD2-CD1 3.48Å; H849-I853 WeakPolarHBondContact CD2-CD1 3.16Å; H849-I853 PolarHBondContact O-N 3.4Å; D850-I853 WeakPolarHBondContact O-CB 3.45Å; D850-I853 PolarHBondContact O-N 2.68Å; D850-I853 VanDerWaalsContact O-N 3.09Å; I853-L855 VanDerWaalsContact C-N 3.34Å; I853-L855 PolarHBondContact O-N 3.33Å; I853-R856 PolarHBondContact O-N 3.41Å; I853-K857 HydrophobicContact CG2-CD 3.98Å; I853-K857 VanDerWaalsContact CG2-CE 3.49Å; I853-K857 HydrophobicContact CG2-CG 4.49Å; I853-K857 WeakPolarHBondContact O-CG 3.17Å; I853-K857 PolarHBondContact O-N 2.98Å
854	Q	68.4	Low	68.5	Low	120 Å²	120	102.6 Å²	102.6	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-60.6	-43.2	177.6	-68.6	-175.5	45.7	0	0	111.5	D850 H851 R856 K857 F858	D850-Q854 WeakPolarHBondContact O-CG 3.48Å; D850-Q854 PolarHBondContact O-N 3.11Å; H851-Q854 PolarHBondContact O-N 3.45Å; Q854-R856 PolarHBondContact O-N 3.43Å; Q854-K857 WeakPolarHBondContact O-CB 3.4Å; Q854-K857 PolarHBondContact O-N 3.31Å; Q854-F858 PolarHBondContact O-N 2.93Å
855	L	71.9	Confident	69.6	Low	96 Å²	96	102.3 Å²	102.3	50%	0.503	49%	0.488	S	S	.	.	H	α-helix	trans	-62.5	-42.1	176.1	-167.1	71.1	0	0	0	112.3	H851 I853 F858 Q859	H851-L855 WeakPolarHBondContact O-CB 3.48Å; H851-L855 PolarHBondContact O-N 3.1Å; I853-L855 VanDerWaalsContact C-N 3.34Å; I853-L855 PolarHBondContact O-N 3.33Å; L855-F858 PolarHBondContact O-N 3.39Å; L855-Q859 WeakPolarHBondContact O-CB 3.5Å; L855-Q859 WeakPolarHBondContact O-CG 3.27Å; L855-Q859 PolarHBondContact O-N 3.18Å
856	R	68.4	Low	70.6	Confident	149 Å²	149	105.2 Å²	105.2	56%	0.562	49%	0.493	S	S	*	.	H	α-helix	trans	-63.3	-40.9	173.6	-78.1	-163.8	-74.7	177.7	-2.5	112.2	R852 I853 Q854 Q859 S860	R852-R856 PolarHBondContact O-N 3.17Å; R852-R856 VanDerWaalsContact O-N 3.12Å; I853-R856 PolarHBondContact O-N 3.41Å; Q854-R856 PolarHBondContact O-N 3.43Å; R856-Q859 PolarHBondContact O-N 3.26Å; R856-S860 PolarHBondContact O-N 3.41Å
857	K	75.4	Confident	71.7	Confident	122 Å²	122	108.4 Å²	108.4	53%	0.53	50%	0.5	S	S	.	.	H	α-helix	trans	-61.2	-42.4	173.7	-72.4	170.4	179.3	171.3	0	111.2	I853 Q854 S860 R861	I853-K857 HydrophobicContact CG2-CD 3.98Å; I853-K857 VanDerWaalsContact CG2-CE 3.49Å; I853-K857 HydrophobicContact CG2-CG 4.49Å; I853-K857 WeakPolarHBondContact O-CG 3.17Å; I853-K857 PolarHBondContact O-N 2.98Å; Q854-K857 WeakPolarHBondContact O-CB 3.4Å; Q854-K857 PolarHBondContact O-N 3.31Å; K857-S860 PolarHBondContact O-N 2.83Å; K857-R861 WeakPolarHBondContact O-CG 3.36Å; K857-R861 PolarHBondContact O-N 3.37Å
858	F	73.6	Confident	72.7	Confident	104 Å²	104	104.8 Å²	104.8	46%	0.456	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-45.6	176	-176.2	-99.2	0	0	0	112.6	Q854 L855 S860 R861 N862	Q854-F858 PolarHBondContact O-N 2.93Å; L855-F858 PolarHBondContact O-N 3.39Å; F858-S860 PolarHBondContact O-N 3.16Å; F858-R861 PolarHBondContact O-N 3.11Å; F858-R861 VanDerWaalsContact O-N 3.13Å; F858-N862 PolarHBondContact O-N 3.34Å
859	Q	76.7	Confident	73.6	Confident	93 Å²	93	102.7 Å²	102.7	44%	0.435	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-25.3	175.5	-71.9	172.8	-16.1	0	0	113.7	L855 R856 R863	L855-Q859 WeakPolarHBondContact O-CB 3.5Å; L855-Q859 WeakPolarHBondContact O-CG 3.27Å; L855-Q859 PolarHBondContact O-N 3.18Å; R856-Q859 PolarHBondContact O-N 3.26Å; Q859-R863 WeakPolarHBondContact O-CG 3.46Å; Q859-R863 PolarHBondContact O-N 2.85Å; Q859-R863 PolarHBondContact O-NE 3.38Å; Q859-R863 VanDerWaalsContact O-NE 3.13Å
860	S	73.8	Confident	74.3	Confident	70 Å²	70	102.1 Å²	102.1	49%	0.49	47%	0.474	S	S	.	.	H	α-helix	trans	-73.3	-45.5	169.7	174.3	0	0	0	0	111.4	R856 K857 F858 R863 N864	R856-S860 PolarHBondContact O-N 3.41Å; K857-S860 PolarHBondContact O-N 2.83Å; F858-S860 PolarHBondContact O-N 3.16Å; S860-R863 PolarHBondContact O-N 2.95Å; S860-N864 PolarHBondContact O-N 3.14Å; S860-N864 VanDerWaalsContact O-N 3.1Å
861	R	74.6	Confident	75.1	Confident	162 Å²	162	101 Å²	101	61%	0.611	48%	0.477	S	S	*	.	H	α-helix	trans	-59.1	-48	174.4	-66.9	177.5	-160.7	161.5	3.1	111.9	K857 F858 R863 N864 L865	K857-R861 WeakPolarHBondContact O-CG 3.36Å; K857-R861 PolarHBondContact O-N 3.37Å; F858-R861 PolarHBondContact O-N 3.11Å; F858-R861 VanDerWaalsContact O-N 3.13Å; R861-R863 PolarHBondContact O-N 2.84Å; R861-N864 PolarHBondContact O-N 3.45Å; R861-N864 VanDerWaalsContact O-N 3.17Å; R861-L865 WeakPolarHBondContact O-CG 3.48Å; R861-L865 PolarHBondContact O-N 2.85Å
862	N	76	Confident	76	Confident	65 Å²	65	99.3 Å²	99.3	35%	0.348	47%	0.469	S	S	.	.	H	α-helix	trans	-58.4	-47.8	179.3	-91.8	16.7	0	0	0	112.2	F858 N864 L865 E866	F858-N862 PolarHBondContact O-N 3.34Å; N862-N864 VanDerWaalsContact C-N 3.27Å; N862-N864 PolarHBondContact O-N 3.2Å; N862-L865 PolarHBondContact O-N 2.95Å; N862-L865 VanDerWaalsContact O-N 3.1Å; N862-E866 WeakPolarHBondContact O-CG 3.44Å; N862-E866 PolarHBondContact O-N 3.38Å
863	R	76.7	Confident	76.8	Confident	153 Å²	153	96.9 Å²	96.9	58%	0.577	46%	0.464	S	S	*	.	H	α-helix	trans	-60.8	-36.3	177.3	-77	-177.2	-72.5	171.3	-1.6	112.7	Q859 S860 R861 Q867	Q859-R863 WeakPolarHBondContact O-CG 3.46Å; Q859-R863 PolarHBondContact O-N 2.85Å; Q859-R863 PolarHBondContact O-NE 3.38Å; Q859-R863 VanDerWaalsContact O-NE 3.13Å; S860-R863 PolarHBondContact O-N 2.95Å; R861-R863 PolarHBondContact O-N 2.84Å; R863-Q867 WeakPolarHBondContact O-CB 3.49Å; R863-Q867 VanDerWaalsContact O-CG 3.27Å; R863-Q867 WeakPolarHBondContact O-CG 3.28Å; R863-Q867 PolarHBondContact O-N 2.99Å
864	N	81.1	Confident	77.5	Confident	67 Å²	67	97.3 Å²	97.3	36%	0.358	47%	0.474	S	S	.	.	H	α-helix	trans	-68.7	-40.4	173.9	-175.9	-105.9	0	0	0	112.4	S860 R861 N862 R868	S860-N864 PolarHBondContact O-N 3.14Å; S860-N864 VanDerWaalsContact O-N 3.1Å; R861-N864 PolarHBondContact O-N 3.45Å; R861-N864 VanDerWaalsContact O-N 3.17Å; N862-N864 VanDerWaalsContact C-N 3.27Å; N862-N864 PolarHBondContact O-N 3.2Å; N864-R868 WeakPolarHBondContact O-CB 3.34Å; N864-R868 WeakPolarHBondContact O-CG 3.4Å; N864-R868 PolarHBondContact O-N 2.75Å; N864-R868 VanDerWaalsContact O-N 3.1Å
865	L	79.1	Confident	78.3	Confident	83 Å²	83	94.3 Å²	94.3	44%	0.435	47%	0.47	S	S	.	.	H	α-helix	trans	-63	-40.8	173.6	-67.2	176.5	0	0	0	111.9	R861 N862 R868 L869	R861-L865 WeakPolarHBondContact O-CG 3.48Å; R861-L865 PolarHBondContact O-N 2.85Å; N862-L865 PolarHBondContact O-N 2.95Å; N862-L865 VanDerWaalsContact O-N 3.1Å; L865-R868 PolarHBondContact O-N 3.27Å; L865-L869 WeakPolarHBondContact O-CB 3.33Å; L865-L869 PolarHBondContact O-N 3.09Å
866	E	78.2	Confident	78.7	Confident	111 Å²	111	92.1 Å²	92.1	52%	0.519	47%	0.466	S	S	.	.	H	α-helix	trans	-63	-50.8	175.8	-71.7	168.5	157.9	0	0	111.6	N862 R868 L869 T870	N862-E866 WeakPolarHBondContact O-CG 3.44Å; N862-E866 PolarHBondContact O-N 3.38Å; E866-R868 PolarHBondContact O-N 3.27Å; E866-L869 PolarHBondContact O-N 3.06Å; E866-L869 VanDerWaalsContact O-N 3.16Å; E866-T870 PolarHBondContact O-N 2.85Å; E866-T870 VanDerWaalsContact O-N 3.11Å; E866-T870 PolarHBondContact O-OG1 3.36Å
867	Q	80	Confident	79.4	Confident	135 Å²	135	88.9 Å²	88.9	63%	0.631	46%	0.46	S	S	*	.	H	α-helix	trans	-53.6	-42	175.5	-77.6	173.1	-37	0	0	112.3	R863 A871	R863-Q867 WeakPolarHBondContact O-CB 3.49Å; R863-Q867 VanDerWaalsContact O-CG 3.27Å; R863-Q867 WeakPolarHBondContact O-CG 3.28Å; R863-Q867 PolarHBondContact O-N 2.99Å; Q867-A871 PolarHBondContact O-N 3.03Å
868	R	80.8	Confident	79.9	Confident	43 Å²	43	87.7 Å²	87.7	16%	0.162	46%	0.456	C	S	.	.	H	α-helix	trans	-71.3	-38.1	178.6	-71.2	172.4	60.5	-116.5	-36.1	113.9	N864 L865 E866 T870 A871 Q872 G1035 G1036 L1037	N864-R868 WeakPolarHBondContact O-CB 3.34Å; N864-R868 WeakPolarHBondContact O-CG 3.4Å; N864-R868 PolarHBondContact O-N 2.75Å; N864-R868 VanDerWaalsContact O-N 3.1Å; L865-R868 PolarHBondContact O-N 3.27Å; E866-R868 PolarHBondContact O-N 3.27Å; R868-T870 VanDerWaalsContact C-N 3.28Å; R868-A871 PolarHBondContact O-N 2.82Å; R868-A871 VanDerWaalsContact O-N 3.14Å; R868-Q872 WeakPolarHBondContact O-CG 3.43Å; R868-Q872 PolarHBondContact O-N 3.5Å; R868-G1035 PolarHBondContact NH2-O 3.43Å; R868-G1036 PolarHBondContact NH1-O 3.09Å; R868-G1036 PolarHBondContact NH2-O 3.06Å; R868-L1037 VanDerWaalsContact CD-CD2 3.48Å; R868-L1037 HydrophobicContact CG-CD2 4.37Å
869	L	80.9	Confident	80.3	Confident	82 Å²	82	85.4 Å²	85.4	43%	0.429	46%	0.457	S	S	.	.	H	α-helix	trans	-60.3	-46.2	177.1	-174.4	66.6	0	0	0	108.9	L865 E866 A871 Q872 E873	L865-L869 WeakPolarHBondContact O-CB 3.33Å; L865-L869 PolarHBondContact O-N 3.09Å; E866-L869 PolarHBondContact O-N 3.06Å; E866-L869 VanDerWaalsContact O-N 3.16Å; L869-A871 VanDerWaalsContact C-N 3.32Å; L869-A871 PolarHBondContact O-N 2.99Å; L869-Q872 PolarHBondContact O-N 3.35Å; L869-E873 WeakPolarHBondContact O-CB 3.36Å; L869-E873 VanDerWaalsContact O-CG 3.28Å; L869-E873 WeakPolarHBondContact O-CG 3.4Å; L869-E873 PolarHBondContact O-N 3.25Å
870	T	83.9	Confident	80.8	Confident	89 Å²	89	85.6 Å²	85.6	55%	0.546	46%	0.46	S	S	.	.	H	α-helix	trans	-60.9	-36.6	173.1	-57.8	0	0	0	0	113	E866 R868 A874	E866-T870 PolarHBondContact O-N 2.85Å; E866-T870 VanDerWaalsContact O-N 3.11Å; E866-T870 PolarHBondContact O-OG1 3.36Å; R868-T870 VanDerWaalsContact C-N 3.28Å; T870-A874 WeakPolarHBondContact O-CB 3.46Å; T870-A874 PolarHBondContact O-N 2.98Å
871	A	80.7	Confident	81.3	Confident	60 Å²	60	87.4 Å²	87.4	50%	0.496	46%	0.461	S	S	.	.	H	α-helix	trans	-68.7	-37.1	174.8	0	0	0	0	0	113	Q867 R868 L869 A875	Q867-A871 PolarHBondContact O-N 3.03Å; R868-A871 PolarHBondContact O-N 2.82Å; R868-A871 VanDerWaalsContact O-N 3.14Å; L869-A871 VanDerWaalsContact C-N 3.32Å; L869-A871 PolarHBondContact O-N 2.99Å; A871-A875 WeakPolarHBondContact O-CB 3.37Å; A871-A875 PolarHBondContact O-N 3.44Å
872	Q	83.7	Confident	81.9	Confident	80 Å²	80	87.3 Å²	87.3	37%	0.374	46%	0.46	S	S	.	.	H	α-helix	trans	-71.9	-38.9	175.2	-75.1	173.7	-44.4	0	0	112	R868 L869 A874 A875 A876 G1035	R868-Q872 WeakPolarHBondContact O-CG 3.43Å; R868-Q872 PolarHBondContact O-N 3.5Å; L869-Q872 PolarHBondContact O-N 3.35Å; Q872-A874 VanDerWaalsContact C-N 3.35Å; Q872-A875 PolarHBondContact O-N 3.01Å; Q872-A876 WeakPolarHBondContact O-CB 3.45Å; Q872-A876 PolarHBondContact O-N 3.4Å; Q872-G1035 PolarHBondContact NE2-O 3.02Å; Q872-G1035 PolarHBondContact OE1-O 3.43Å
873	E	82.2	Confident	82.5	Confident	104 Å²	104	89.3 Å²	89.3	49%	0.486	47%	0.471	S	S	.	.	H	α-helix	trans	-59.7	-44.6	171.1	-72.7	171.1	156	0	0	110.8	L869 A876 D877	L869-E873 WeakPolarHBondContact O-CB 3.36Å; L869-E873 VanDerWaalsContact O-CG 3.28Å; L869-E873 WeakPolarHBondContact O-CG 3.4Å; L869-E873 PolarHBondContact O-N 3.25Å; E873-A876 PolarHBondContact O-N 2.92Å; E873-D877 PolarHBondContact O-N 2.97Å
874	A	82.3	Confident	83.1	Confident	55 Å²	55	85.9 Å²	85.9	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-64	-42.7	176.2	0	0	0	0	0	113.2	T870 Q872 A876 D877 E878	T870-A874 WeakPolarHBondContact O-CB 3.46Å; T870-A874 PolarHBondContact O-N 2.98Å; Q872-A874 VanDerWaalsContact C-N 3.35Å; A874-A876 VanDerWaalsContact C-N 3.33Å; A874-A876 PolarHBondContact O-N 3.35Å; A874-D877 PolarHBondContact O-N 3.38Å; A874-E878 PolarHBondContact O-N 2.95Å
875	A	83.4	Confident	83.5	Confident	57 Å²	57	87.8 Å²	87.8	47%	0.471	48%	0.478	S	S	.	.	H	α-helix	trans	-66.6	-33.8	176.5	0	0	0	0	0	112.6	A871 Q872 A879	A871-A875 WeakPolarHBondContact O-CB 3.37Å; A871-A875 PolarHBondContact O-N 3.44Å; Q872-A875 PolarHBondContact O-N 3.01Å; A875-A879 WeakPolarHBondContact O-CB 3.46Å; A875-A879 PolarHBondContact O-N 3.48Å
876	A	80.8	Confident	83.9	Confident	51 Å²	51	92.4 Å²	92.4	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-68.5	-44.7	173.7	0	0	0	0	0	111.9	Q872 E873 A874 E878 A879 I880	Q872-A876 WeakPolarHBondContact O-CB 3.45Å; Q872-A876 PolarHBondContact O-N 3.4Å; E873-A876 PolarHBondContact O-N 2.92Å; A874-A876 VanDerWaalsContact C-N 3.33Å; A874-A876 PolarHBondContact O-N 3.35Å; A876-E878 VanDerWaalsContact C-N 3.3Å; A876-E878 PolarHBondContact O-N 3.02Å; A876-A879 PolarHBondContact O-N 3.05Å; A876-I880 VanDerWaalsContact O-CG1 3.28Å; A876-I880 WeakPolarHBondContact O-CG1 3.3Å; A876-I880 PolarHBondContact O-N 2.69Å
877	D	83.1	Confident	84.3	Confident	81 Å²	81	90.1 Å²	90.1	43%	0.433	49%	0.486	S	S	.	.	H	α-helix	trans	-56.2	-44.1	172.5	-97.5	10.7	0	0	0	111.1	E873 A874 I880 E881	E873-D877 PolarHBondContact O-N 2.97Å; A874-D877 PolarHBondContact O-N 3.38Å; D877-I880 PolarHBondContact O-N 3.03Å; D877-E881 PolarHBondContact O-N 3.41Å
878	E	86.2	Confident	84.7	Confident	96 Å²	96	91.9 Å²	91.9	45%	0.449	49%	0.486	S	S	.	.	H	α-helix	trans	-66.2	-38.4	178.3	-163	-169.2	148.4	0	0	112.6	A874 A876 E881 R882	A874-E878 PolarHBondContact O-N 2.95Å; A876-E878 VanDerWaalsContact C-N 3.3Å; A876-E878 PolarHBondContact O-N 3.02Å; E878-E881 PolarHBondContact O-N 3.46Å; E878-R882 VanDerWaalsContact CD-NH1 3.32Å; E878-R882 WeakPolarHBondContact O-CG 3.47Å; E878-R882 PolarHBondContact O-N 3.41Å; E878-R882 IonicContact OE1-CZ 3.95Å; E878-R882 IonicContact OE1-NH1 3.96Å; E878-R882 PolarHBondContact OE1-NH1 3.02Å; E878-R882 IonicContact OE1-NH2 2.75Å; E878-R882 PolarHBondContact OE1-NH2 3.02Å
879	A	82.1	Confident	85.2	Confident	57 Å²	57	94.8 Å²	94.8	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-66.9	-39.6	174.4	0	0	0	0	0	112.1	A875 A876 R882 L883	A875-A879 WeakPolarHBondContact O-CB 3.46Å; A875-A879 PolarHBondContact O-N 3.48Å; A876-A879 PolarHBondContact O-N 3.05Å; A879-R882 PolarHBondContact O-N 2.92Å; A879-L883 WeakPolarHBondContact O-CB 3.42Å; A879-L883 PolarHBondContact O-N 2.68Å
880	I	87	Confident	85.4	Confident	97 Å²	97	95.5 Å²	95.5	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-43.1	174.5	-68.7	164.1	0	0	0	110.4	A876 D877 R882 L883 C884	A876-I880 VanDerWaalsContact O-CG1 3.28Å; A876-I880 WeakPolarHBondContact O-CG1 3.3Å; A876-I880 PolarHBondContact O-N 2.69Å; D877-I880 PolarHBondContact O-N 3.03Å; I880-R882 PolarHBondContact O-N 3.25Å; I880-L883 PolarHBondContact O-N 3.1Å; I880-C884 WeakPolarHBondContact O-CB 3.28Å; I880-C884 PolarHBondContact O-N 3.03Å; I880-C884 PolarHBondContact O-SG 3.46Å; I880-C884 VanDerWaalsContact O-SG 3.4Å
881	E	85	Confident	85.6	Confident	108 Å²	108	96 Å²	96	51%	0.505	50%	0.502	S	S	.	.	H	α-helix	trans	-62.4	-42.5	176.7	-172.2	159.4	-173.4	0	0	111.6	R30 D877 E878 L883 C884 L885	R30-E881 IonicContact NH2-OE2 2.62Å; D877-E881 PolarHBondContact O-N 3.41Å; E878-E881 PolarHBondContact O-N 3.46Å; E881-L883 PolarHBondContact O-N 3Å; E881-C884 PolarHBondContact O-N 3.34Å; E881-L885 HydrophobicContact CG-CD1 4.41Å; E881-L885 VanDerWaalsContact O-CG 3.3Å; E881-L885 WeakPolarHBondContact O-CG 3.5Å; E881-L885 PolarHBondContact O-N 2.88Å
882	R	87.5	Confident	85.9	Confident	159 Å²	159	97.5 Å²	97.5	60%	0.6	50%	0.501	S	S	*	.	H	α-helix	trans	-60	-42.7	171.2	-75.7	-169.7	179.3	94	8.5	112.8	E878 A879 I880 L885 R886	E878-R882 VanDerWaalsContact CD-NH1 3.32Å; E878-R882 WeakPolarHBondContact O-CG 3.47Å; E878-R882 PolarHBondContact O-N 3.41Å; E878-R882 IonicContact OE1-CZ 3.95Å; E878-R882 IonicContact OE1-NH1 3.96Å; E878-R882 PolarHBondContact OE1-NH1 3.02Å; E878-R882 IonicContact OE1-NH2 2.75Å; E878-R882 PolarHBondContact OE1-NH2 3.02Å; A879-R882 PolarHBondContact O-N 2.92Å; I880-R882 PolarHBondContact O-N 3.25Å; R882-L885 PolarHBondContact O-N 3.46Å; R882-R886 WeakPolarHBondContact O-CB 3.3Å; R882-R886 PolarHBondContact O-N 3.48Å
883	L	88.6	Confident	86	Confident	108 Å²	108	98.1 Å²	98.1	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-64.9	-47	178.9	-177.9	60.1	0	0	0	111.3	A879 I880 E881 L885 R886 C887	A879-L883 WeakPolarHBondContact O-CB 3.42Å; A879-L883 PolarHBondContact O-N 2.68Å; I880-L883 PolarHBondContact O-N 3.1Å; E881-L883 PolarHBondContact O-N 3Å; L883-L885 VanDerWaalsContact C-N 3.32Å; L883-L885 PolarHBondContact O-N 2.87Å; L883-R886 PolarHBondContact O-N 3.4Å; L883-R886 VanDerWaalsContact O-N 3.1Å; L883-C887 PolarHBondContact O-N 3.39Å; L883-C887 PolarHBondContact O-SG 3.45Å; L883-C887 VanDerWaalsContact O-SG 3.34Å
884	C	88.5	Confident	86.1	Confident	81 Å²	81	98 Å²	98	55%	0.547	51%	0.506	S	S	.	.	H	α-helix	trans	-59	-41.1	176.1	-72.2	0	0	0	0	112.5	I880 E881 R888	I880-C884 WeakPolarHBondContact O-CB 3.28Å; I880-C884 PolarHBondContact O-N 3.03Å; I880-C884 PolarHBondContact O-SG 3.46Å; I880-C884 VanDerWaalsContact O-SG 3.4Å; E881-C884 PolarHBondContact O-N 3.34Å; C884-R888 WeakPolarHBondContact O-CB 3.49Å; C884-R888 PolarHBondContact O-N 3.41Å
885	L	89.9	Confident	86.4	Confident	106 Å²	106	100.2 Å²	100.2	56%	0.555	51%	0.505	S	S	*	.	H	α-helix	trans	-63.9	-40.4	174.1	-71.8	169.9	0	0	0	112.1	E881 R882 L883 R888 H889	E881-L885 HydrophobicContact CG-CD1 4.41Å; E881-L885 VanDerWaalsContact O-CG 3.3Å; E881-L885 WeakPolarHBondContact O-CG 3.5Å; E881-L885 PolarHBondContact O-N 2.88Å; R882-L885 PolarHBondContact O-N 3.46Å; L883-L885 VanDerWaalsContact C-N 3.32Å; L883-L885 PolarHBondContact O-N 2.87Å; L885-R888 PolarHBondContact O-N 3.48Å; L885-H889 PolarHBondContact O-N 3.18Å
886	R	86.2	Confident	86.5	Confident	181 Å²	181	102.5 Å²	102.5	68%	0.683	51%	0.506	S	S	*	.	H	α-helix	trans	-67.6	-42.4	177.6	-164.1	174.6	-173	179.1	1.2	112.3	R882 L883 H889 L890	R882-R886 WeakPolarHBondContact O-CB 3.3Å; R882-R886 PolarHBondContact O-N 3.48Å; L883-R886 PolarHBondContact O-N 3.4Å; L883-R886 VanDerWaalsContact O-N 3.1Å; R886-H889 WeakPolarHBondContact O-CB 3.5Å; R886-H889 PolarHBondContact O-N 2.92Å; R886-L890 WeakPolarHBondContact O-CG 3.31Å; R886-L890 PolarHBondContact O-N 2.87Å
887	C	86.7	Confident	86.6	Confident	62 Å²	62	102.8 Å²	102.8	42%	0.419	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-44.1	173.6	-65.6	0	0	0	0	111.6	L883 H889 L890 E891	L883-C887 PolarHBondContact O-N 3.39Å; L883-C887 PolarHBondContact O-SG 3.45Å; L883-C887 VanDerWaalsContact O-SG 3.34Å; C887-H889 VanDerWaalsContact C-N 3.29Å; C887-H889 PolarHBondContact O-N 3.38Å; C887-L890 PolarHBondContact O-N 2.92Å; C887-E891 PolarHBondContact O-N 3.01Å
888	R	88.7	Confident	86.6	Confident	172 Å²	172	104 Å²	104	65%	0.649	51%	0.508	S	S	*	.	H	α-helix	trans	-63.3	-33.1	176	-173.4	176.5	-179.1	-179.3	1.2	112.9	C884 L885 L892	C884-R888 WeakPolarHBondContact O-CB 3.49Å; C884-R888 PolarHBondContact O-N 3.41Å; L885-R888 PolarHBondContact O-N 3.48Å; R888-L892 WeakPolarHBondContact O-CG 3.39Å; R888-L892 PolarHBondContact O-N 2.79Å
889	H	91.1	Very high	86.3	Confident	105 Å²	105	105.3 Å²	105.3	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-67	-49.2	173.3	-177	62.1	0	0	0	111.3	L885 R886 C887 E891 L892 E893	L885-H889 PolarHBondContact O-N 3.18Å; R886-H889 WeakPolarHBondContact O-CB 3.5Å; R886-H889 PolarHBondContact O-N 2.92Å; C887-H889 VanDerWaalsContact C-N 3.29Å; C887-H889 PolarHBondContact O-N 3.38Å; H889-E891 VanDerWaalsContact C-N 3.32Å; H889-E891 PolarHBondContact O-N 3.21Å; H889-L892 WeakPolarHBondContact O-CB 3.32Å; H889-L892 PolarHBondContact O-N 3.01Å; H889-E893 IonicContact NE2-OE2 3.83Å; H889-E893 PolarHBondContact O-N 3.19Å
890	L	86.7	Confident	86.3	Confident	96 Å²	96	108.3 Å²	108.3	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-59.9	-38.5	177	-69.4	168.6	0	0	0	112.6	R886 C887 L892 E893 L894	R886-L890 WeakPolarHBondContact O-CG 3.31Å; R886-L890 PolarHBondContact O-N 2.87Å; C887-L890 PolarHBondContact O-N 2.92Å; L890-L892 VanDerWaalsContact C-N 3.31Å; L890-L892 PolarHBondContact O-N 3.36Å; L890-E893 PolarHBondContact O-N 3.25Å; L890-L894 VanDerWaalsContact O-CB 3.31Å; L890-L894 WeakPolarHBondContact O-CB 3.28Å; L890-L894 PolarHBondContact O-N 3.37Å
891	E	87.1	Confident	85.6	Confident	101 Å²	101	107.3 Å²	107.3	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-57.6	-41.6	171.1	-88.9	-166.4	-130.2	0	0	113	C887 H889 K895	C887-E891 PolarHBondContact O-N 3.01Å; H889-E891 VanDerWaalsContact C-N 3.32Å; H889-E891 PolarHBondContact O-N 3.21Å; E891-K895 WeakPolarHBondContact O-CB 3.45Å; E891-K895 VanDerWaalsContact O-CD 3.31Å; E891-K895 WeakPolarHBondContact O-CD 3.49Å; E891-K895 WeakPolarHBondContact O-CG 3.34Å; E891-K895 PolarHBondContact O-N 3.43Å; E891-K895 IonicContact OE2-NZ 2.67Å; E891-K895 PolarHBondContact OE2-NZ 2.98Å
892	L	87.9	Confident	85	Confident	90 Å²	90	106.3 Å²	106.3	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-72	-39.9	-179.7	-70.5	168.3	0	0	0	111.1	R888 H889 L890 K895 Q896	R888-L892 WeakPolarHBondContact O-CG 3.39Å; R888-L892 PolarHBondContact O-N 2.79Å; H889-L892 WeakPolarHBondContact O-CB 3.32Å; H889-L892 PolarHBondContact O-N 3.01Å; L890-L892 VanDerWaalsContact C-N 3.31Å; L890-L892 PolarHBondContact O-N 3.36Å; L892-K895 PolarHBondContact O-N 2.91Å; L892-Q896 WeakPolarHBondContact O-CB 3.34Å; L892-Q896 WeakPolarHBondContact O-CG 3.49Å; L892-Q896 PolarHBondContact O-N 2.75Å
893	E	84.5	Confident	84.1	Confident	93 Å²	93	105.6 Å²	105.6	44%	0.435	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-39.8	173.1	-66.6	-160.2	117.8	0	0	112.2	H889 L890 Q896 S897	H889-E893 IonicContact NE2-OE2 3.83Å; H889-E893 PolarHBondContact O-N 3.19Å; L890-E893 PolarHBondContact O-N 3.25Å; E893-Q896 PolarHBondContact O-N 2.86Å; E893-S897 VanDerWaalsContact O-CB 3.28Å; E893-S897 WeakPolarHBondContact O-CB 3.37Å; E893-S897 PolarHBondContact O-N 3.42Å; E893-S897 PolarHBondContact O-OG 2.97Å
894	L	85.8	Confident	82.8	Confident	103 Å²	103	107.3 Å²	107.3	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-62.7	-47.2	174.2	-176.9	63.8	0	0	0	111	L890 Q896 S897 Q898	L890-L894 VanDerWaalsContact O-CB 3.31Å; L890-L894 WeakPolarHBondContact O-CB 3.28Å; L890-L894 PolarHBondContact O-N 3.37Å; L894-Q896 PolarHBondContact O-N 3.18Å; L894-S897 PolarHBondContact O-N 3.46Å; L894-Q898 WeakPolarHBondContact O-CB 3.31Å; L894-Q898 VanDerWaalsContact O-CG 3.31Å; L894-Q898 WeakPolarHBondContact O-CG 3.45Å; L894-Q898 PolarHBondContact O-N 3.41Å
895	K	87.4	Confident	80.9	Confident	101 Å²	101	109 Å²	109	44%	0.439	54%	0.536	S	S	.	.	H	α-helix	trans	-62	-40.6	176.8	-74.1	161	-176	163.6	0	112	E891 L892 Q899	E891-K895 WeakPolarHBondContact O-CB 3.45Å; E891-K895 VanDerWaalsContact O-CD 3.31Å; E891-K895 WeakPolarHBondContact O-CD 3.49Å; E891-K895 WeakPolarHBondContact O-CG 3.34Å; E891-K895 PolarHBondContact O-N 3.43Å; E891-K895 IonicContact OE2-NZ 2.67Å; E891-K895 PolarHBondContact OE2-NZ 2.98Å; L892-K895 PolarHBondContact O-N 2.91Å; K895-Q899 WeakPolarHBondContact O-CG 3.31Å; K895-Q899 PolarHBondContact O-N 3.09Å
896	Q	86.7	Confident	78.6	Confident	104 Å²	104	108 Å²	108	49%	0.486	54%	0.538	S	S	.	.	H	α-helix	trans	-65.8	-39.2	173.1	-74.1	-176.9	30.1	0	0	112.6	L892 E893 L894 Q899 K900	L892-Q896 WeakPolarHBondContact O-CB 3.34Å; L892-Q896 WeakPolarHBondContact O-CG 3.49Å; L892-Q896 PolarHBondContact O-N 2.75Å; E893-Q896 PolarHBondContact O-N 2.86Å; L894-Q896 PolarHBondContact O-N 3.18Å; Q896-Q899 PolarHBondContact O-N 3.37Å; Q896-K900 WeakPolarHBondContact O-CG 3.41Å; Q896-K900 PolarHBondContact O-N 2.99Å
897	S	81.7	Confident	76.8	Confident	57 Å²	57	104.8 Å²	104.8	40%	0.399	54%	0.54	S	S	.	.	H	α-helix	trans	-70	-40.4	-180	-59.7	0	0	0	0	111.5	E893 L894 K900 C901	E893-S897 VanDerWaalsContact O-CB 3.28Å; E893-S897 WeakPolarHBondContact O-CB 3.37Å; E893-S897 PolarHBondContact O-N 3.42Å; E893-S897 PolarHBondContact O-OG 2.97Å; L894-S897 PolarHBondContact O-N 3.46Å; S897-K900 PolarHBondContact O-N 2.91Å; S897-C901 PolarHBondContact O-N 3.05Å; S897-C901 PolarHBondContact O-SG 3.4Å; S897-C901 VanDerWaalsContact O-SG 3.35Å
898	Q	84.2	Confident	74.5	Confident	106 Å²	106	112 Å²	112	50%	0.495	57%	0.565	S	S	.	*	H	α-helix	trans	-57.6	-47.7	169.4	-73.5	171.7	-9.6	0	0	111.3	L894 K900 C901 S902	L894-Q898 WeakPolarHBondContact O-CB 3.31Å; L894-Q898 VanDerWaalsContact O-CG 3.31Å; L894-Q898 WeakPolarHBondContact O-CG 3.45Å; L894-Q898 PolarHBondContact O-N 3.41Å; Q898-K900 PolarHBondContact O-N 3Å; Q898-C901 PolarHBondContact O-N 3.27Å; Q898-S902 PolarHBondContact O-N 3.35Å; Q898-S902 PolarHBondContact O-OG 3.32Å; Q898-S902 VanDerWaalsContact O-OG 3.1Å
899	Q	79.9	Confident	71.9	Confident	125 Å²	125	111.7 Å²	111.7	58%	0.584	57%	0.57	S	S	*	*	H	α-helix	trans	-60	-41.3	176.1	-76	-179.5	-7.4	0	0	113	K895 Q896 S902 Q903	K895-Q899 WeakPolarHBondContact O-CG 3.31Å; K895-Q899 PolarHBondContact O-N 3.09Å; Q896-Q899 PolarHBondContact O-N 3.37Å; Q899-S902 PolarHBondContact O-N 3.38Å; Q899-Q903 WeakPolarHBondContact O-CG 3.39Å; Q899-Q903 PolarHBondContact O-N 3.18Å; Q899-Q903 VanDerWaalsContact O-N 3.09Å
900	K	80.5	Confident	69.1	Low	120 Å²	120	115 Å²	115	52%	0.522	59%	0.586	S	S	.	*	H	α-helix	trans	-61.4	-44.9	174.8	-71.2	164.7	-174	168	0	111.3	Q896 S897 Q898 Q903 L904	Q896-K900 WeakPolarHBondContact O-CG 3.41Å; Q896-K900 PolarHBondContact O-N 2.99Å; S897-K900 PolarHBondContact O-N 2.91Å; Q898-K900 PolarHBondContact O-N 3Å; K900-Q903 PolarHBondContact O-N 3.07Å; K900-L904 WeakPolarHBondContact O-CG 3.33Å; K900-L904 PolarHBondContact O-N 3.41Å
901	C	72.5	Confident	66.6	Low	75 Å²	75	117.4 Å²	117.4	51%	0.507	60%	0.599	S	S	.	*	H	α-helix	trans	-63.5	-43.7	175.5	-68.3	0	0	0	0	112.5	S897 Q898 Q903 L904 M905	S897-C901 PolarHBondContact O-N 3.05Å; S897-C901 PolarHBondContact O-SG 3.4Å; S897-C901 VanDerWaalsContact O-SG 3.35Å; Q898-C901 PolarHBondContact O-N 3.27Å; C901-Q903 VanDerWaalsContact C-N 3.31Å; C901-Q903 PolarHBondContact O-N 3.49Å; C901-L904 PolarHBondContact O-N 3.03Å; C901-M905 WeakPolarHBondContact O-CG 3.21Å; C901-M905 PolarHBondContact O-N 2.87Å
902	S	73.6	Confident	64.3	Low	88 Å²	88	119.9 Å²	119.9	62%	0.615	62%	0.615	S	S	*	*	H	α-helix	trans	-62.4	-35.2	178.1	-61.1	0	0	0	0	113.1	Q898 Q899	Q898-S902 PolarHBondContact O-N 3.35Å; Q898-S902 PolarHBondContact O-OG 3.32Å; Q898-S902 VanDerWaalsContact O-OG 3.1Å; Q899-S902 PolarHBondContact O-N 3.38Å
903	Q	68.5	Low	61.6	Low	144 Å²	144	120.3 Å²	120.3	67%	0.673	63%	0.625	S	S	*	*	H	α-helix	trans	-67.2	-40.6	174.4	-70.7	174.1	28.1	0	0	111.8	Q899 K900 C901 M905 S906	Q899-Q903 WeakPolarHBondContact O-CG 3.39Å; Q899-Q903 PolarHBondContact O-N 3.18Å; Q899-Q903 VanDerWaalsContact O-N 3.09Å; K900-Q903 PolarHBondContact O-N 3.07Å; C901-Q903 VanDerWaalsContact C-N 3.31Å; C901-Q903 PolarHBondContact O-N 3.49Å; Q903-M905 VanDerWaalsContact C-N 3.3Å; Q903-M905 PolarHBondContact O-N 3.22Å; Q903-S906 PolarHBondContact O-OG 2.97Å
904	L	61.5	Low	59.3	Low	144 Å²	144	122.9 Å²	122.9	75%	0.754	64%	0.642	S	S	*	*	H	α-helix	trans	-69.2	-23.9	178.3	-70.4	168	0	0	0	113.8	K900 C901 S906	K900-L904 WeakPolarHBondContact O-CG 3.33Å; K900-L904 PolarHBondContact O-N 3.41Å; C901-L904 PolarHBondContact O-N 3.03Å; L904-S906 VanDerWaalsContact C-N 3.35Å
905	M	47.1	Very low	57	Low	117 Å²	117	123.8 Å²	123.8	58%	0.576	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	10.8	-179.1	-69.9	-65.9	164.3	0	0	114.6	C901 Q903 P928	C901-M905 WeakPolarHBondContact O-CG 3.21Å; C901-M905 PolarHBondContact O-N 2.87Å; Q903-M905 VanDerWaalsContact C-N 3.3Å; Q903-M905 PolarHBondContact O-N 3.22Å; M905-P928 HydrophobicContact CE-CG 3.64Å
906	S	43	Very low	54.3	Low	84 Å²	84	126 Å²	126	59%	0.587	67%	0.673	S	S	*	*			trans	-75.5	125.1	176.7	55.3	0	0	0	0	112.1	Q903 L904 K908	Q903-S906 PolarHBondContact O-OG 2.97Å; L904-S906 VanDerWaalsContact C-N 3.35Å; S906-K908 PolarHBondContact O-N 3.28Å
907	P	46.9	Very low	51.9	Low	113 Å²	113	127.4 Å²	127.4	73%	0.734	68%	0.684	S	S	*	*			trans	-74.7	123.6	-169.8	-19.7	33	0	0	0	114.5	Q909	P907-Q909 VanDerWaalsContact C-N 3.33Å; P907-Q909 PolarHBondContact O-N 3.1Å
908	K	39.4	Very low	49.5	Very low	215 Å²	215	134.9 Å²	134.9	94%	0.935	71%	0.705	S	S	*	*			trans	-74.9	82.4	163.4	-73.2	-177.9	178.8	174.4	0	110.8	S906	S906-K908 PolarHBondContact O-N 3.28Å
909	Q	34.1	Very low	46.9	Very low	164 Å²	164	134.6 Å²	134.6	77%	0.766	72%	0.715	S	S	*	*			trans	-71.7	169	166.1	-70.6	-172	-12.5	0	0	111.7	P907	P907-Q909 VanDerWaalsContact C-N 3.33Å; P907-Q909 PolarHBondContact O-N 3.1Å
910	Q	32.9	Very low	44.5	Very low	176 Å²	176	136.9 Å²	136.9	82%	0.822	73%	0.73	S	S	*	*			trans	71.8	84	177.3	-50.9	-178.5	6	0	0	116.2
911	N	34.6	Very low	42.1	Very low	145 Å²	145	134.6 Å²	134.6	78%	0.775	74%	0.741	S	S	*	*				-173.1	155.5	105	-106.5	-68.7	0	0	0	115.3
912	I	37.2	Very low	40.1	Very low	154 Å²	154	135.1 Å²	135.1	79%	0.79	75%	0.75	S	S	*	*			trans	63.1	113.5	159.2	-60.6	156.3	0	0	0	117.5
913	S	32.7	Very low	38.2	Very low	98 Å²	98	137.6 Å²	137.6	69%	0.685	76%	0.757	S	S	*	*			trans	-100.8	170.2	158.9	53.3	0	0	0	0	111.1
914	N	34.7	Very low	36.4	Very low	148 Å²	148	137.5 Å²	137.5	79%	0.791	76%	0.761	S	S	*	*			trans	65	99.6	171.7	-59	-14.4	0	0	0	117.6
915	S	37	Very low	35	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	77%	0.767	S	S	*	*				177.1	153.9	100.5	43.6	0	0	0	0	112.6
916	N	31.2	Very low	34.1	Very low	147 Å²	147	138 Å²	138	79%	0.786	77%	0.772	S	S	*	*			trans	-79.3	142	175.3	-57.2	-31.9	0	0	0	110.5
917	N	37	Very low	33.5	Very low	134 Å²	134	140.9 Å²	140.9	72%	0.717	78%	0.781	S	S	*	*				165.1	147.7	116.7	-87.4	-46.9	0	0	0	114.7
918	Y	31.4	Very low	32.7	Very low	213 Å²	213	139.4 Å²	139.4	84%	0.835	77%	0.772	S	S	*	*			trans	43.6	107.2	155.2	-64.7	-63	0	0	0	122.2
919	S	28.6	Very low	32.4	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	76%	0.764	S	S	*	*				84	145	117.3	-155.9	0	0	0	0	121.4
920	L	30.6	Very low	32	Very low	174 Å²	174	139.3 Å²	139.3	91%	0.911	77%	0.77	S	S	*	*			trans	65.8	130.7	167.8	-106.7	72.8	0	0	0	118.9
921	G	29.6	Very low	32	Very low	72 Å²	72	138.2 Å²	138.2	74%	0.742	76%	0.764	S	S	*	*			trans	125.7	74.7	146.9	0	0	0	0	0	118.5
922	A	31.5	Very low	31.6	Very low	86 Å²	86	136.9 Å²	136.9	71%	0.711	77%	0.766	S	S	*	*			trans	41.7	129.9	136.5	0	0	0	0	0	122.2
923	N	32.3	Very low	31.3	Very low	139 Å²	139	132.9 Å²	132.9	74%	0.743	75%	0.752	S	S	*	*			trans	79.2	126.2	144.2	-56.2	-7	0	0	0	120.4
924	N	32	Very low	31.3	Very low	142 Å²	142	135.5 Å²	135.5	76%	0.759	76%	0.755	S	S	*	*			trans	52.5	106.4	135.6	-52.9	-2.3	0	0	0	119
925	L	32.1	Very low	31	Very low	170 Å²	170	135.2 Å²	135.2	89%	0.89	75%	0.753	S	S	*	*				-163.1	153.1	100	-131.2	63.9	0	0	0	114.8
926	C	28.1	Very low	30.5	Very low	101 Å²	101	137.3 Å²	137.3	68%	0.682	76%	0.755	S	S	*	*			trans	-44.7	143.2	168.4	-175	0	0	0	0	115.5
927	N	28.9	Very low	30.3	Very low	146 Å²	146	135.2 Å²	135.2	78%	0.781	76%	0.758	S	S	*	*				-162.9	158.2	121.9	-103	-12.8	0	0	0	112.8
928	P	31.5	Very low	30	Very low	81 Å²	81	133.9 Å²	133.9	53%	0.526	76%	0.759	S	S	.	*			trans	-97.7	169	-162.9	38.8	-37.6	0	0	0	114.5	M905	M905-P928 HydrophobicContact CE-CG 3.64Å
929	I	32	Very low	29.7	Very low	152 Å²	152	127.7 Å²	127.7	78%	0.779	75%	0.747	S	S	*	*			trans	-127.8	94.3	169.6	-57.3	-179.3	0	0	0	110	H931	I929-H931 HydrophobicContact CG2-CB 3.88Å
930	Y	26.9	Very low	29.6	Very low	225 Å²	225	133 Å²	133	88%	0.882	75%	0.753	S	S	*	*			trans	-82.8	136.5	143.6	-104.8	-90.9	0	0	0	106.7
931	H	32.6	Very low	29.5	Very low	154 Å²	154	132 Å²	132	71%	0.713	74%	0.742	S	S	*	*			trans	-144.5	73.8	177.6	-144.9	-80.5	0	0	0	114.1	I929	I929-H931 HydrophobicContact CG2-CB 3.88Å
932	S	26.1	Very low	29.4	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	74%	0.737	S	S	*	*			trans	-94.5	108.6	164.1	-53.4	0	0	0	0	109.7
933	S	29.8	Very low	29.3	Very low	71 Å²	71	137.5 Å²	137.5	50%	0.497	74%	0.737	S	S	.	*			trans	-169.8	162.3	162.1	56.5	0	0	0	0	113.5
934	M	33.8	Very low	29.4	Very low	152 Å²	152	138.4 Å²	138.4	75%	0.749	74%	0.742	S	S	*	*			trans	71.9	100.1	172.2	-49.1	-54.4	159.8	0	0	115
935	L	27.2	Very low	29.2	Very low	143 Å²	143	135.5 Å²	135.5	75%	0.749	75%	0.746	S	S	*	*				62.7	107.2	60.1	-56.2	171.5	0	0	0	113.8
936	N	26.9	Very low	29	Very low	165 Å²	165	133.8 Å²	133.8	88%	0.882	74%	0.742	S	S	*	*				-167.7	155.6	100.1	-94.5	-33.8	0	0	0	112.1
937	A	27.1	Very low	28.9	Very low	103 Å²	103	135.7 Å²	135.7	85%	0.851	75%	0.75	S	S	*	*			trans	-113.1	126.8	176	0	0	0	0	0	111.2
938	S	30.9	Very low	28.8	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	75%	0.749	S	S	*	*			trans	-158	108	163.5	54.5	0	0	0	0	106.5
939	S	25.3	Very low	28.6	Very low	84 Å²	84	135.9 Å²	135.9	59%	0.587	76%	0.76	S	S	*	*				81.8	143.1	75.9	-177.7	0	0	0	0	111.9
940	Y	27.1	Very low	28.4	Very low	211 Å²	211	132.4 Å²	132.4	83%	0.827	76%	0.761	S	S	*	*			trans	71.7	139.7	179.7	-42.7	-73.2	0	0	0	115.9
941	K	27.7	Very low	28.6	Very low	154 Å²	154	131 Å²	131	67%	0.67	76%	0.763	S	S	*	*			cis	-160	170	-35.7	-141.8	-169	160.9	-71.9	0	108.5
942	E	28	Very low	28.5	Very low	139 Å²	139	129.8 Å²	129.8	65%	0.65	76%	0.762	S	S	*	*			trans	-65.5	154.7	168.3	-51.9	115.8	139	0	0	112.3
943	D	29.9	Very low	28.7	Very low	134 Å²	134	129.5 Å²	129.5	72%	0.717	76%	0.757	S	S	*	*			trans	137.8	158.1	133.1	-67.6	-40.3	0	0	0	115.3
944	D	33.9	Very low	28.8	Very low	158 Å²	158	131.9 Å²	131.9	85%	0.845	76%	0.764	S	S	*	*			trans	59.7	91.9	168.7	-62	-23.2	0	0	0	119.6
945	G	26.6	Very low	29	Very low	81 Å²	81	130.4 Å²	130.4	84%	0.835	76%	0.763	S	S	*	*			trans	-85.8	149.8	162.3	0	0	0	0	0	113.3
946	V	28.5	Very low	29.4	Very low	133 Å²	133	128.9 Å²	128.9	81%	0.806	76%	0.759	S	S	*	*			trans	-131.2	128	171.5	177.1	0	0	0	0	110.2
947	V	25.8	Very low	29.7	Very low	142 Å²	142	127.7 Å²	127.7	86%	0.861	75%	0.752	S	S	*	*			trans	-85.3	121.8	178	175.5	0	0	0	0	110.6
948	V	27.7	Very low	30.1	Very low	123 Å²	123	129.4 Å²	129.4	75%	0.745	74%	0.741	S	S	*	*			trans	-140.9	102.1	158.5	-175.3	0	0	0	0	111.3
949	S	27.2	Very low	30.3	Very low	108 Å²	108	133.4 Å²	133.4	76%	0.755	75%	0.745	S	S	*	*			trans	37.5	89.6	137.4	-47.8	0	0	0	0	121
950	G	26.6	Very low	30.7	Very low	79 Å²	79	134.2 Å²	134.2	81%	0.814	75%	0.749	S	S	*	*				28	132	125.1	0	0	0	0	0	123.7
951	E	31.2	Very low	30.9	Very low	196 Å²	196	131.7 Å²	131.7	92%	0.916	74%	0.743	S	S	*	*			trans	-140.2	150.6	145.4	-107.1	171.8	-167.7	0	0	108.4
952	N	30.6	Very low	31	Very low	128 Å²	128	128.5 Å²	128.5	68%	0.684	75%	0.754	S	S	*	*			trans	-76.3	137.4	-165	-87.3	21.6	0	0	0	114.8	D954	N952-D954 VanDerWaalsContact C-N 3.32Å; N952-D954 PolarHBondContact ND2-OD2 2.97Å; N952-D954 PolarHBondContact O-N 2.84Å
953	P	30.6	Very low	31.4	Very low	109 Å²	109	129.3 Å²	129.3	71%	0.708	76%	0.762	S	S	*	*			trans	-85.4	21.5	175.5	35.3	-35.9	0	0	0	115.6	V955	P953-V955 PolarHBondContact O-N 2.62Å
954	D	32	Very low	31.7	Very low	121 Å²	121	130.9 Å²	130.9	65%	0.647	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	3.8	178.3	-67.3	-52.6	0	0	0	114.8	N952	N952-D954 VanDerWaalsContact C-N 3.32Å; N952-D954 PolarHBondContact ND2-OD2 2.97Å; N952-D954 PolarHBondContact O-N 2.84Å
955	V	38.3	Very low	31.7	Very low	122 Å²	122	128.9 Å²	128.9	74%	0.739	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-14.6	-163.1	-175.6	0	0	0	0	113.3	P953	P953-V955 PolarHBondContact O-N 2.62Å
956	V	35.1	Very low	32.2	Very low	110 Å²	110	131.3 Å²	131.3	67%	0.667	76%	0.759	S	S	*	*	S	Bend	trans	-93.4	-42.9	-170	-175.1	0	0	0	0	113.2	K958	V956-K958 VanDerWaalsContact C-N 3.35Å; V956-K958 PolarHBondContact O-N 3.21Å
957	L	33.5	Very low	32.5	Very low	140 Å²	140	132.3 Å²	132.3	73%	0.733	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-72	-21.5	-172.9	-84	163	0	0	0	114.8	K959	L957-K959 PolarHBondContact O-N 3.34Å
958	K	36.5	Very low	32.7	Very low	139 Å²	139	134.6 Å²	134.6	60%	0.604	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-71.1	18.5	178.6	-69.6	-165.3	166.2	-166.2	0	115	V956 D965	V956-K958 VanDerWaalsContact C-N 3.35Å; V956-K958 PolarHBondContact O-N 3.21Å; K958-D965 IonicContact NZ-OD1 3.7Å; K958-D965 PolarHBondContact NZ-OD1 3.34Å; K958-D965 IonicContact NZ-OD2 3.05Å; K958-D965 PolarHBondContact NZ-OD2 2.93Å
959	K	34.1	Very low	32.9	Very low	190 Å²	190	133.7 Å²	133.7	83%	0.826	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-125	-12.6	-174.7	-146.1	172.9	-174.2	178	0	115.1	L957	L957-K959 PolarHBondContact O-N 3.34Å
960	C	34.8	Very low	33	Very low	102 Å²	102	136.2 Å²	136.2	69%	0.689	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-19.8	-179.4	-58.7	0	0	0	0	113.3
961	F	30.6	Very low	33	Very low	157 Å²	157	138.7 Å²	138.7	69%	0.689	76%	0.762	S	S	*	*	S	Bend	trans	-124.9	115.1	178.3	-59.5	-80.4	0	0	0	109.7	L963	F961-L963 VanDerWaalsContact C-N 3.3Å; F961-L963 PolarHBondContact O-N 2.97Å
962	G	29.6	Very low	32.9	Very low	88 Å²	88	134.8 Å²	134.8	91%	0.907	76%	0.756	S	S	*	*			trans	-78.8	64.2	-168.2	0	0	0	0	0	114.9
963	L	36.8	Very low	32.6	Very low	155 Å²	155	138.5 Å²	138.5	81%	0.812	77%	0.767	S	S	*	*			trans	-120.1	137.8	177.1	-60.9	176	0	0	0	110.4	F961	F961-L963 VanDerWaalsContact C-N 3.3Å; F961-L963 PolarHBondContact O-N 2.97Å
964	N	36.6	Very low	32.7	Very low	168 Å²	168	140.5 Å²	140.5	90%	0.898	78%	0.777	S	S	*	*			trans	-99.3	140.9	179.9	-67.9	-33.4	0	0	0	111
965	D	32.8	Very low	32.4	Very low	116 Å²	116	141.5 Å²	141.5	62%	0.62	78%	0.783	S	S	*	*			trans	-74.5	138.9	178.4	-54	-80.2	0	0	0	113.3	K958	K958-D965 IonicContact NZ-OD1 3.7Å; K958-D965 PolarHBondContact NZ-OD1 3.34Å; K958-D965 IonicContact NZ-OD2 3.05Å; K958-D965 PolarHBondContact NZ-OD2 2.93Å
966	T	36.6	Very low	31.9	Very low	132 Å²	132	146.7 Å²	146.7	81%	0.81	79%	0.789	S	S	*	*			trans	-157.6	139.8	135	28.4	0	0	0	0	110.7
967	D	35.5	Very low	31.6	Very low	153 Å²	153	145.3 Å²	145.3	82%	0.818	80%	0.797	S	S	*	*			trans	66.7	84.9	156.6	-57.6	-4	0	0	0	119.4
968	E	29.8	Very low	31.4	Very low	190 Å²	190	144.2 Å²	144.2	89%	0.888	80%	0.801	S	S	*	*			trans	-60.6	162.2	152.9	-48.4	176.9	134.2	0	0	112
969	S	31.5	Very low	31.1	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	81%	0.812	S	S	*	*				178.8	149.2	117.2	43.3	0	0	0	0	115.5
970	I	30.7	Very low	30.7	Very low	162 Å²	162	144.3 Å²	144.3	83%	0.831	82%	0.815	S	S	*	*			trans	77.4	125.3	161.6	-63.9	152.4	0	0	0	117.5
971	V	25.2	Very low	30.2	Very low	130 Å²	130	144.6 Å²	144.6	79%	0.788	82%	0.824	S	S	*	*			trans	-130.1	145.6	-172.2	166.6	0	0	0	0	109.4
972	S	29	Very low	29.9	Very low	114 Å²	114	142.3 Å²	142.3	80%	0.797	83%	0.828	S	S	*	*			trans	-172.5	137.7	141.2	29.9	0	0	0	0	112.7
973	F	24.9	Very low	29.8	Very low	206 Å²	206	146.1 Å²	146.1	90%	0.904	83%	0.825	S	S	*	*			trans	-128.9	145.9	172	-83.3	-90.9	0	0	0	109.2
974	T	31.9	Very low	29.1	Very low	151 Å²	151	149.7 Å²	149.7	93%	0.926	83%	0.83	S	S	*	*			trans	-132.4	127.9	160.9	49.9	0	0	0	0	110.4
975	N	27.5	Very low	28.6	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	82%	0.822	S	S	*	*			trans	-104.6	167.4	-151.4	-171.2	-5	0	0	0	113.5
976	R	27.5	Very low	28.6	Very low	230 Å²	230	145 Å²	145	87%	0.868	83%	0.828	S	S	*	*			trans	87.6	137.3	157.3	-53.2	-174.6	175.8	-161.9	-3.4	120.5
977	G	27.6	Very low	28.1	Very low	81 Å²	81	148.7 Å²	148.7	84%	0.835	83%	0.829	S	S	*	*			trans	139	60.3	140.4	0	0	0	0	0	120.2
978	S	30.9	Very low	27.6	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	82%	0.823	S	S	*	*			trans	-77.5	151.6	167.4	63.2	0	0	0	0	112.8
979	P	30.2	Very low	27.6	Very low	129 Å²	129	142.9 Å²	142.9	84%	0.838	82%	0.821	S	S	*	*				-146	-178.3	98.1	39.3	-23.7	0	0	0	115.6
980	K	24.6	Very low	27.5	Very low	203 Å²	203	145.1 Å²	145.1	88%	0.883	83%	0.825	S	S	*	*			trans	-75.8	137.1	-173.6	-54.4	168.5	-178.2	174.4	0	114
981	A	24.7	Very low	27.7	Very low	107 Å²	107	145.1 Å²	145.1	88%	0.884	83%	0.826	S	S	*	*			trans	-160.5	160.9	148	0	0	0	0	0	110.5
982	S	24.5	Very low	27.8	Very low	109 Å²	109	146.3 Å²	146.3	76%	0.762	82%	0.823	S	S	*	*			trans	-97.1	164.7	178.5	52.5	0	0	0	0	112.8
983	I	26.3	Very low	28	Very low	168 Å²	168	148.3 Å²	148.3	86%	0.862	83%	0.825	S	S	*	*			trans	-178.2	164.2	135.4	-93.9	158.4	0	0	0	110
984	Y	23.8	Very low	28.2	Very low	231 Å²	231	146.3 Å²	146.3	91%	0.906	82%	0.816	S	S	*	*			trans	-66.9	164.7	-176.9	-87.1	-129	0	0	0	114.4
985	G	24.9	Very low	28.1	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	81%	0.812	S	S	*	*			trans	-78.7	-146.4	172.8	0	0	0	0	0	114.2
986	P	32.8	Very low	28.1	Very low	113 Å²	113	146.3 Å²	146.3	73%	0.734	81%	0.808	S	S	*	*			cis	-131.9	-147.4	13.5	43.1	-24.4	0	0	0	113.7
987	Y	25.7	Very low	28.3	Very low	210 Å²	210	141.7 Å²	141.7	82%	0.824	81%	0.805	S	S	*	*			trans	95.1	100.2	172.6	-67.7	-77.1	0	0	0	119.7
988	S	25.8	Very low	28.3	Very low	100 Å²	100	143.5 Å²	143.5	70%	0.699	80%	0.795	S	S	*	*				24.4	120.8	120	-167.8	0	0	0	0	120
989	S	30.8	Very low	28.2	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	79%	0.793	S	S	*	*			trans	-147.6	135.4	136	-74.8	0	0	0	0	108.7
990	D	27.9	Very low	28	Very low	151 Å²	151	140.9 Å²	140.9	81%	0.807	79%	0.792	S	S	*	*			trans	-66.5	150.2	164.3	-54.8	-96.1	0	0	0	110.4
991	D	34.6	Very low	28.2	Very low	162 Å²	162	137.7 Å²	137.7	87%	0.866	79%	0.79	S	S	*	*				-153.5	159.8	124.6	-131	-31.7	0	0	0	111.6
992	Q	27.8	Very low	28.2	Very low	155 Å²	155	137 Å²	137	72%	0.724	78%	0.784	S	S	*	*			trans	-94.1	149	-174.6	-54.4	-178.2	32.3	0	0	111.5
993	D	33.7	Very low	28.3	Very low	155 Å²	155	139.4 Å²	139.4	83%	0.829	79%	0.788	S	S	*	*				-156.9	162.1	107	-134.3	-31.6	0	0	0	114.1
994	K	28.1	Very low	28.3	Very low	164 Å²	164	136.4 Å²	136.4	71%	0.713	78%	0.782	S	S	*	*			trans	-101.2	130.3	-178.1	-66.9	145.5	167.3	-79.3	0	111.3
995	V	30.9	Very low	28.5	Very low	139 Å²	139	132 Å²	132	84%	0.842	78%	0.779	S	S	*	*			trans	-130.7	119.1	139.1	-175.8	0	0	0	0	108.8	V997	V995-V997 HydrophobicContact CG1-CG2 4.15Å
996	K	26.6	Very low	28.4	Very low	156 Å²	156	135 Å²	135	68%	0.678	78%	0.778	S	S	*	*			trans	-117.7	116.6	177.9	-179.5	171.7	-174.8	-81.3	0	107.6	D998	K996-D998 IonicContact NZ-OD1 2.68Å; K996-D998 PolarHBondContact NZ-OD1 3.07Å; K996-D998 IonicContact NZ-OD2 2.67Å; K996-D998 PolarHBondContact NZ-OD2 3.4Å
997	V	32.4	Very low	28.2	Very low	133 Å²	133	138 Å²	138	81%	0.806	79%	0.787	S	S	*	*			trans	-113.3	95.4	173.7	-177	0	0	0	0	108.2	V995	V995-V997 HydrophobicContact CG1-CG2 4.15Å
998	D	27	Very low	28.2	Very low	118 Å²	118	134 Å²	134	63%	0.631	78%	0.784	S	S	*	*			trans	-73.5	154.2	162.9	-55.3	-80.5	0	0	0	109.8	K996	K996-D998 IonicContact NZ-OD1 2.68Å; K996-D998 PolarHBondContact NZ-OD1 3.07Å; K996-D998 IonicContact NZ-OD2 2.67Å; K996-D998 PolarHBondContact NZ-OD2 3.4Å
999	G	28.4	Very low	28.3	Very low	76 Å²	76	137.8 Å²	137.8	78%	0.784	79%	0.788	S	S	*	*			trans	147.5	85.3	162.3	0	0	0	0	0	115.7
1000	S	26.1	Very low	28.4	Very low	115 Å²	115	139.2 Å²	139.2	80%	0.804	79%	0.786	S	S	*	*			trans	-64	138.5	158.1	59.9	0	0	0	0	110.5
1001	T	28.9	Very low	28.5	Very low	137 Å²	137	135.1 Å²	135.1	84%	0.84	78%	0.78	S	S	*	*			trans	-163.1	134.4	135.1	10.4	0	0	0	0	110.5
1002	A	25.4	Very low	28.2	Very low	92 Å²	92	138.6 Å²	138.6	76%	0.76	78%	0.782	S	S	*	*			trans	-77	150.6	162.3	0	0	0	0	0	109.7
1003	N	27.5	Very low	28	Very low	159 Å²	159	136.4 Å²	136.4	85%	0.85	78%	0.784	S	S	*	*			trans	-162.7	136.8	146.8	-100	-42.5	0	0	0	111.4
1004	S	25	Very low	27.6	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	78%	0.779	S	S	*	*			trans	-84.7	146.3	173.4	52.2	0	0	0	0	111.3
1005	V	27.5	Very low	27.3	Very low	140 Å²	140	132.7 Å²	132.7	85%	0.848	78%	0.781	S	S	*	*			trans	-133.7	117.5	167.3	-177.9	0	0	0	0	109.2
1006	N	23.3	Very low	27	Very low	133 Å²	133	131.5 Å²	131.5	71%	0.711	77%	0.774	S	S	*	*			trans	-84.5	151.8	171	-70.6	-80.4	0	0	0	110.5
1007	L	28.3	Very low	26.9	Very low	177 Å²	177	131.2 Å²	131.2	93%	0.927	78%	0.775	S	S	*	*			trans	-143.8	145.7	146.7	-138	76.6	0	0	0	109.9
1008	V	25.7	Very low	26.5	Very low	125 Å²	125	132.2 Å²	132.2	76%	0.758	78%	0.775	S	S	*	*			trans	-133.9	138.6	-167.7	174.4	0	0	0	0	110.4
1009	K	28.7	Very low	26.4	Very low	180 Å²	180	130.6 Å²	130.6	78%	0.783	77%	0.771	S	S	*	*			trans	148.4	139.2	156.9	-87.8	173.6	178.6	-177.1	0	109.2
1010	D	33.8	Very low	26.2	Very low	151 Å²	151	134.7 Å²	134.7	81%	0.807	77%	0.774	S	S	*	*			cis	-131.6	146.7	-10	-76.1	-60.9	0	0	0	105.5
1011	G	28.9	Very low	26	Very low	66 Å²	66	134.1 Å²	134.1	68%	0.68	76%	0.757	S	S	*	*				131.6	2.8	55	0	0	0	0	0	113.5
1012	Y	28.1	Very low	25.9	Very low	234 Å²	234	134.4 Å²	134.4	92%	0.918	76%	0.758	S	S	*	*			trans	-128.7	132.3	165.1	-78.6	-83.1	0	0	0	110
1013	S	24.2	Very low	25.9	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	74%	0.743	S	S	*	*			trans	-109.9	124.6	170.6	-177.5	0	0	0	0	109
1014	T	24.3	Very low	25.7	Very low	119 Å²	119	134.9 Å²	134.9	73%	0.73	74%	0.735	S	S	*	*			trans	-138.1	109	159.9	-52.3	0	0	0	0	106.1	V1016	T1014-V1016 VanDerWaalsContact C-N 3.34Å; T1014-V1016 HydrophobicContact CG2-CG2 4.16Å; T1014-V1016 PolarHBondContact O-N 2.96Å
1015	T	22.7	Very low	25.9	Very low	122 Å²	122	135.7 Å²	135.7	75%	0.748	74%	0.735	S	S	*	*			trans	-68.5	94.9	167.4	35.9	0	0	0	0	108.2	E1017	T1015-E1017 PolarHBondContact O-N 3.38Å
1016	V	24.8	Very low	25.8	Very low	114 Å²	114	136.1 Å²	136.1	69%	0.691	73%	0.728	S	S	*	*			trans	-84.5	91.9	160.4	-178.5	0	0	0	0	106.1	T1014 L1018	T1014-V1016 VanDerWaalsContact C-N 3.34Å; T1014-V1016 HydrophobicContact CG2-CG2 4.16Å; T1014-V1016 PolarHBondContact O-N 2.96Å; V1016-L1018 PolarHBondContact O-N 3.25Å
1017	E	23.3	Very low	26	Very low	151 Å²	151	137.1 Å²	137.1	71%	0.706	73%	0.733	S	S	*	*			trans	-58.6	127	159.7	-68.6	172.4	178.5	0	0	107.7	T1015 P1019	T1015-E1017 PolarHBondContact O-N 3.38Å; E1017-P1019 VanDerWaalsContact O-CD 3.25Å; E1017-P1019 WeakPolarHBondContact O-CD 3.19Å
1018	L	24.2	Very low	26	Very low	153 Å²	153	138.4 Å²	138.4	80%	0.801	73%	0.726	S	S	*	*			trans	-86.7	104.6	158.3	-72.8	171.9	0	0	0	105.2	V1016 L1020	V1016-L1018 PolarHBondContact O-N 3.25Å; L1018-L1020 PolarHBondContact O-N 3.19Å
1019	P	24.6	Very low	26.2	Very low	84 Å²	84	138.4 Å²	138.4	55%	0.545	73%	0.726	S	S	.	*			trans	-71.5	97.2	-177.1	29.9	-35.1	0	0	0	108.9	E1017 F1021	E1017-P1019 VanDerWaalsContact O-CD 3.25Å; E1017-P1019 WeakPolarHBondContact O-CD 3.19Å; P1019-F1021 HydrophobicContact CB-CD2 3.7Å; P1019-F1021 HydrophobicContact CB-CE2 3.65Å; P1019-F1021 HydrophobicContact CB-CG 4.46Å; P1019-F1021 HydrophobicContact CB-CZ 4.37Å; P1019-F1021 HydrophobicContact CG-CD2 4.11Å; P1019-F1021 HydrophobicContact CG-CE2 4.06Å; P1019-F1021 PolarHBondContact O-N 3.3Å
1020	L	24.8	Very low	26.2	Very low	162 Å²	162	141.1 Å²	141.1	85%	0.848	73%	0.732	S	S	*	*			trans	-67.4	80.6	162.1	-75.7	174.3	0	0	0	107.8	L1018 V1022	L1018-L1020 PolarHBondContact O-N 3.19Å; L1020-V1022 PolarHBondContact O-N 2.86Å
1021	F	23	Very low	25.9	Very low	104 Å²	104	142.5 Å²	142.5	46%	0.456	74%	0.737	S	S	.	*			trans	-69.3	76.4	178.5	-93.8	-59.1	0	0	0	111.2	A331 P1019 R1023	A331-F1021 WeakPolarHBondContact O-CE1 3.43Å; A331-F1021 WeakPolarHBondContact O-CZ 3.37Å; P1019-F1021 HydrophobicContact CB-CD2 3.7Å; P1019-F1021 HydrophobicContact CB-CE2 3.65Å; P1019-F1021 HydrophobicContact CB-CG 4.46Å; P1019-F1021 HydrophobicContact CB-CZ 4.37Å; P1019-F1021 HydrophobicContact CG-CD2 4.11Å; P1019-F1021 HydrophobicContact CG-CE2 4.06Å; P1019-F1021 PolarHBondContact O-N 3.3Å; F1021-R1023 HydrophobicContact CB-CG 4.39Å; F1021-R1023 HydrophobicContact CD1-CG 4.23Å; F1021-R1023 PolarHBondContact O-N 3.29Å
1022	V	26	Very low	26	Very low	142 Å²	142	145.9 Å²	145.9	86%	0.861	74%	0.744	S	S	*	*			trans	-68.1	78	158	-175.6	0	0	0	0	107.2	L1020	L1020-V1022 PolarHBondContact O-N 2.86Å
1023	R	24.9	Very low	26.1	Very low	115 Å²	115	140.4 Å²	140.4	43%	0.434	74%	0.74	S	S	.	*			trans	-74	138.3	175.1	-85.8	170.4	130.3	165.8	-4.6	110.2	P329 F1021 V1025	P329-R1023 PolarHBondContact O-NH1 2.85Å; P329-R1023 PolarHBondContact O-NH2 2.72Å; F1021-R1023 HydrophobicContact CB-CG 4.39Å; F1021-R1023 HydrophobicContact CD1-CG 4.23Å; F1021-R1023 PolarHBondContact O-N 3.29Å; R1023-V1025 PolarHBondContact O-N 3.21Å
1024	Q	24.1	Very low	26.4	Very low	147 Å²	147	141.2 Å²	141.2	69%	0.687	75%	0.746	S	S	*	*			trans	-50.8	125.9	171.2	-69.2	159.3	-97.3	0	0	111.1	E1026	Q1024-E1026 PolarHBondContact NE2-OE2 3.35Å
1025	V	27.8	Very low	26.6	Very low	122 Å²	122	137.7 Å²	137.7	74%	0.739	73%	0.733	S	S	*	*			trans	-125.1	68.5	158.5	-172.9	0	0	0	0	107.3	R1023	R1023-V1025 PolarHBondContact O-N 3.21Å
1026	E	27	Very low	26.9	Very low	148 Å²	148	134.4 Å²	134.4	69%	0.692	72%	0.723	S	S	*	*			trans	-63.3	142.8	155.8	-68.9	159.6	97.6	0	0	107.9	Q1024	Q1024-E1026 PolarHBondContact NE2-OE2 3.35Å
1027	D	26.9	Very low	27.5	Very low	155 Å²	155	134 Å²	134	83%	0.829	72%	0.716	S	S	*	*	S	Bend	trans	54	82.8	-173.8	-84.1	-12.3	0	0	0	117.1
1028	R	28.6	Very low	27.9	Very low	204 Å²	204	131.3 Å²	131.3	77%	0.77	72%	0.721	S	S	*	*			trans	-172.7	83.4	130.6	-101.2	151.6	-173	-179.9	3.6	115.3	R1030	R1028-R1030 PolarHBondContact O-N 2.86Å
1029	T	29	Very low	28.3	Very low	124 Å²	124	127.1 Å²	127.1	76%	0.761	71%	0.714	S	S	*	*			trans	-77	107	157.2	39.9	0	0	0	0	110.5
1030	R	28.4	Very low	28.6	Very low	238 Å²	238	134.1 Å²	134.1	90%	0.898	73%	0.73	S	S	*	*			trans	171.6	92.9	152.3	-97.5	165	-165	-164.9	7.2	112.5	R1028	R1028-R1030 PolarHBondContact O-N 2.86Å
1031	I	28.1	Very low	29	Very low	179 Å²	179	137.4 Å²	137.4	92%	0.918	73%	0.731	S	S	*	*			trans	-133.9	75.8	147	-49.8	-176.4	0	0	0	108.3
1032	V	31.6	Very low	29.2	Very low	137 Å²	137	138 Å²	138	83%	0.83	75%	0.745	S	S	*	*	S	Bend	trans	-127.8	135.7	163.3	177.9	0	0	0	0	106.9	S1034	V1032-S1034 PolarHBondContact O-N 3.24Å
1033	S	30.7	Very low	29.6	Very low	120 Å²	120	137.1 Å²	137.1	84%	0.839	74%	0.742	S	S	*	*			trans	-42.2	124.5	-167	-55	0	0	0	0	114.6	G1035	S1033-G1035 PolarHBondContact O-N 2.89Å
1034	S	28.9	Very low	30	Very low	126 Å²	126	137.9 Å²	137.9	88%	0.881	76%	0.76	S	S	*	*			trans	-66	90	-174	53.4	0	0	0	0	113.2	V1032	V1032-S1034 PolarHBondContact O-N 3.24Å
1035	G	30.1	Very low	30.2	Very low	45 Å²	45	140.5 Å²	140.5	46%	0.464	77%	0.769	S	S	.	*			trans	-93	-8.9	175.7	0	0	0	0	0	115.5	R868 Q872 S1033	R868-G1035 PolarHBondContact NH2-O 3.43Å; Q872-G1035 PolarHBondContact NE2-O 3.02Å; Q872-G1035 PolarHBondContact OE1-O 3.43Å; S1033-G1035 PolarHBondContact O-N 2.89Å
1036	G	29	Very low	30.2	Very low	52 Å²	52	141.8 Å²	141.8	54%	0.536	77%	0.77	S	S	.	*			trans	71.1	149	173.5	0	0	0	0	0	117.4	R868	R868-G1036 PolarHBondContact NH1-O 3.09Å; R868-G1036 PolarHBondContact NH2-O 3.06Å
1037	L	37.2	Very low	30.3	Very low	105 Å²	105	140.1 Å²	140.1	55%	0.55	77%	0.77	S	S	.	*			trans	177.5	119.7	131.3	177.8	171.7	0	0	0	109.7	R868	R868-L1037 VanDerWaalsContact CD-CD2 3.48Å; R868-L1037 HydrophobicContact CG-CD2 4.37Å
1038	A	31.5	Very low	30.4	Very low	96 Å²	96	140.2 Å²	140.2	79%	0.793	77%	0.768	S	S	*	*			trans	-83.8	135.3	166	0	0	0	0	0	111.4
1039	G	31.8	Very low	30.3	Very low	64 Å²	64	137 Å²	137	66%	0.66	77%	0.767	S	S	*	*			trans	124.9	88.5	158.5	0	0	0	0	0	117.4
1040	R	31.7	Very low	30.2	Very low	232 Å²	232	136.7 Å²	136.7	88%	0.875	77%	0.769	S	S	*	*				177.3	118.9	105.4	-93.6	164.5	-171.5	-111.8	-2.6	113.4
1041	R	32.2	Very low	30.2	Very low	231 Å²	231	130.1 Å²	130.1	87%	0.872	76%	0.758	S	S	*	*			trans	62.9	140.9	155.6	-63.3	-176.3	174.4	174.8	-1.8	118.7
1042	P	28.2	Very low	30.2	Very low	116 Å²	116	131 Å²	131	75%	0.753	76%	0.755	S	S	*	*			trans	-82	147.2	177.3	33.9	-34.9	0	0	0	112.2
1043	P	34.8	Very low	30	Very low	124 Å²	124	128.7 Å²	128.7	81%	0.805	75%	0.751	S	S	*	*			trans	-76.4	132.7	166.9	31.3	-32.5	0	0	0	110.9	K1045	P1043-K1045 PolarHBondContact O-N 3.39Å
1044	T	31.6	Very low	29.9	Very low	131 Å²	131	125.9 Å²	125.9	80%	0.804	73%	0.731	S	S	*	*			trans	-72	115.8	173.6	44.9	0	0	0	0	111.2	I1046	T1044-I1046 PolarHBondContact O-N 2.7Å
1045	K	29.8	Very low	30	Very low	201 Å²	201	122.7 Å²	122.7	87%	0.874	70%	0.704	S	S	*	*			trans	-69.2	122.1	165.3	-80.7	-166.4	173.3	-172.3	0	109.8	P1043	P1043-K1045 PolarHBondContact O-N 3.39Å
1046	I	28.1	Very low	30.1	Very low	149 Å²	149	125.5 Å²	125.5	76%	0.764	71%	0.705	S	S	*	*			trans	-86.3	132.4	164.8	-64.4	175.3	0	0	0	107.3	T1044 I1048	T1044-I1046 PolarHBondContact O-N 2.7Å; I1046-I1048 HydrophobicContact CG2-CG1 4.46Å
1047	V	27.3	Very low	30.2	Very low	113 Å²	113	126.3 Å²	126.3	69%	0.685	71%	0.713	S	S	*	*			trans	-114.4	127.3	174.5	178	0	0	0	0	108.7
1048	I	29	Very low	30.3	Very low	157 Å²	157	126.4 Å²	126.4	81%	0.805	72%	0.72	S	S	*	*			trans	-128.4	127.4	162.6	-62.1	-176.8	0	0	0	107.2	I1046	I1046-I1048 HydrophobicContact CG2-CG1 4.46Å
1049	N	26.5	Very low	30.2	Very low	137 Å²	137	128.9 Å²	128.9	73%	0.733	71%	0.713	S	S	*	*			trans	-79.8	147.7	-164.3	-30.5	-60.2	0	0	0	113.1
1050	S	26.8	Very low	30.2	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	70%	0.703	S	S	*	*			trans	-128.8	152.5	132.9	65.3	0	0	0	0	108.6
1051	P	29.9	Very low	30.1	Very low	100 Å²	100	121.6 Å²	121.6	65%	0.649	70%	0.697	S	S	*	*			trans	-131.3	173	-136.7	43.5	-30.1	0	0	0	117.2
1052	F	27.9	Very low	30	Very low	197 Å²	197	115.6 Å²	115.6	86%	0.864	69%	0.69	S	S	*	*			trans	68.5	105	160.9	-77.1	-71.8	0	0	0	118.7
1053	A	27.8	Very low	30	Very low	90 Å²	90	117 Å²	117	74%	0.744	69%	0.69	S	S	*	*			trans	-67	175.1	140.4	0	0	0	0	0	111.3
1054	S	28.6	Very low	29.6	Very low	61 Å²	61	116.7 Å²	116.7	43%	0.427	69%	0.686	S	S	.	*			trans	100.1	60.5	159	-117.7	0	0	0	0	121.2	K344	K344-S1054 WeakPolarHBondContact CE-O 3.26Å; K344-S1054 WeakPolarHBondContact CE-OG 3.42Å; K344-S1054 WeakPolarHBondContact CG-OG 3.39Å; K344-S1054 PolarHBondContact NZ-O 3.15Å
1055	L	29.8	Very low	29.4	Very low	59 Å²	59	119 Å²	119	31%	0.309	69%	0.688	S	S	.	*				77.1	146	111	-82.7	48.7	0	0	0	121	D342 K344	D342-L1055 HydrophobicContact CB-CD2 4.31Å; D342-L1055 HydrophobicContact CB-CG 4.07Å; D342-L1055 WeakPolarHBondContact O-CD2 3.34Å; D342-L1055 VanDerWaalsContact OD1-CD2 3.3Å; D342-L1055 WeakPolarHBondContact OD1-CD2 3.38Å; D342-L1055 WeakPolarHBondContact OD1-CG 3.23Å; D342-L1055 WeakPolarHBondContact OD2-CD1 3.4Å; D342-L1055 VanDerWaalsContact OD2-CG 3.24Å; D342-L1055 WeakPolarHBondContact OD2-CG 3.37Å; K344-L1055 HydrophobicContact CD-CB 4.49Å; K344-L1055 HydrophobicContact CG-CB 4.44Å; K344-L1055 HydrophobicContact CG-CD2 4.07Å; K344-L1055 PolarHBondContact NZ-O 3.01Å
1056	H	32.5	Very low	29.5	Very low	103 Å²	103	114 Å²	114	48%	0.477	68%	0.676	S	S	.	*			trans	67.9	126.6	164.5	-96.7	-167.8	0	0	0	119.8	D342 E343	D342-H1056 PolarHBondContact O-CD2 2.9Å; D342-H1056 PolarHBondContact O-NE2 3.27Å; E343-H1056 IonicContact OE1-CE1 3.08Å; E343-H1056 IonicContact OE1-CG 3.07Å; E343-H1056 IonicContact OE1-ND1 3.32Å; E343-H1056 PolarHBondContact OE1-ND1 3.05Å; E343-H1056 IonicContact OE2-CE1 2.81Å; E343-H1056 IonicContact OE2-ND1 3.72Å
1057	G	30.6	Very low	29.5	Very low	70 Å²	70	118.5 Å²	118.5	72%	0.722	68%	0.683	S	S	*	*			trans	-106.5	-129.5	176.6	0	0	0	0	0	112.4
1058	P	39.3	Very low	29.7	Very low	106 Å²	106	119.2 Å²	119.2	69%	0.688	69%	0.688	S	S	*	*			cis	-135.6	-167.1	0.6	31.3	-7	0	0	0	114.8
1059	F	29.7	Very low	29.9	Very low	148 Å²	148	117.5 Å²	117.5	65%	0.649	69%	0.687	S	S	*	*			trans	73.4	158.8	175.1	-60.3	-91.3	0	0	0	117.7	E143	E143-F1059 VanDerWaalsContact OE1-CB 3.23Å; E143-F1059 WeakPolarHBondContact OE1-CB 3.31Å
1060	A	31.5	Very low	29.9	Very low	54 Å²	54	115.8 Å²	115.8	45%	0.446	69%	0.686	S	S	.	*			cis	-170.7	152.3	-39.3	0	0	0	0	0	112.3	E143	E143-A1060 PolarHBondContact OE1-N 3Å
1061	A	30.9	Very low	30	Very low	90 Å²	90	116 Å²	116	74%	0.744	68%	0.682	S	S	*	*			trans	64.2	167.8	163.8	0	0	0	0	0	118
1062	S	29.1	Very low	30.2	Very low	104 Å²	104	120.7 Å²	120.7	73%	0.727	69%	0.692	S	S	*	*			cis	-169.2	173.9	-40	-168.6	0	0	0	0	109.8
1063	L	27.6	Very low	30.4	Very low	145 Å²	145	118.8 Å²	118.8	76%	0.759	69%	0.691	S	S	*	*			trans	74.5	105.8	161.6	-63.1	175.7	0	0	0	121.5
1064	T	28.2	Very low	30.9	Very low	118 Å²	118	119.5 Å²	119.5	72%	0.724	69%	0.688	S	S	*	*				56.4	131.6	127.7	59.9	0	0	0	0	123.6
1065	E	27	Very low	31	Very low	180 Å²	180	125.7 Å²	125.7	84%	0.841	71%	0.707	S	S	*	*			trans	12.5	151.3	133.4	-62.2	-159.2	134	0	0	121.1
1066	P	32.4	Very low	31.1	Very low	96 Å²	96	129 Å²	129	62%	0.623	73%	0.725	S	S	*	*			cis	-152.8	174.7	33.7	43.2	-22.7	0	0	0	120.1
1067	R	27.3	Very low	31.2	Very low	243 Å²	243	128.5 Å²	128.5	92%	0.917	73%	0.733	S	S	*	*			trans	71.3	146.1	143.3	-80.6	165.8	-176.9	152.4	3.7	123.2
1068	V	30.7	Very low	31.4	Very low	128 Å²	128	131.3 Å²	131.3	78%	0.776	73%	0.732	S	S	*	*			trans	-77.9	154.9	174.6	-137.2	0	0	0	0	112.5
1069	P	33.6	Very low	31.2	Very low	122 Å²	122	132.6 Å²	132.6	79%	0.792	73%	0.733	S	S	*	*				-140.6	157.6	91.1	37.2	-23.3	0	0	0	113.4
1070	S	27.5	Very low	31.3	Very low	100 Å²	100	132.2 Å²	132.2	70%	0.699	74%	0.738	S	S	*	*			cis	111	131.2	19.7	-163.2	0	0	0	0	114
1071	V	29	Very low	31.5	Very low	122 Å²	122	137.5 Å²	137.5	74%	0.739	76%	0.758	S	S	*	*			trans	67.4	115.4	168.1	-154.1	0	0	0	0	120
1072	K	32.8	Very low	31.4	Very low	198 Å²	198	138 Å²	138	86%	0.861	76%	0.757	S	S	*	*				-177.6	107.6	114.9	-97.2	164.8	-171.3	174.8	0	114.5
1073	N	32.7	Very low	31.3	Very low	158 Å²	158	138.3 Å²	138.3	85%	0.845	76%	0.757	S	S	*	*			trans	-75.2	161.7	154.5	-105.3	4.9	0	0	0	110.1
1074	P	37.3	Very low	31.5	Very low	104 Å²	104	138.2 Å²	138.2	68%	0.675	76%	0.757	S	S	*	*				-150.7	144.8	108.9	34.3	-16.2	0	0	0	117.1
1075	F	32.1	Very low	31.5	Very low	192 Å²	192	139.1 Å²	139.1	84%	0.842	76%	0.757	S	S	*	*			trans	46.2	152.4	132.2	-63.1	-50.6	0	0	0	122.9
1076	N	30.6	Very low	31.8	Very low	128 Å²	128	140 Å²	140	68%	0.684	76%	0.758	S	S	*	*			cis	-172.4	-177.3	-22.9	-156	29.4	0	0	0	108.4
1077	S	35.5	Very low	31.6	Very low	92 Å²	92	140.5 Å²	140.5	64%	0.643	76%	0.764	S	S	*	*			trans	68.7	152	155.1	65.3	0	0	0	0	119.6
1078	D	35.3	Very low	31.9	Very low	129 Å²	129	134.7 Å²	134.7	69%	0.69	76%	0.761	S	S	*	*			cis	-167	164.9	-24.4	-95.3	-31.8	0	0	0	109.3
1079	N	35.4	Very low	31.8	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	76%	0.762	S	S	*	*			trans	66.1	116.5	157.8	-59.3	-39.7	0	0	0	121.2
1080	N	31.3	Very low	31.7	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	76%	0.764	S	S	*	*				20.9	126.5	119	-46.2	-19.7	0	0	0	118.8
1081	D	34.8	Very low	31.9	Very low	165 Å²	165	136.7 Å²	136.7	88%	0.882	77%	0.766	S	S	*	*				-167.1	174.3	95.9	-107.2	-20.5	0	0	0	112.5
1082	S	29.7	Very low	32	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	77%	0.774	S	S	*	*			trans	-104.7	171.3	-167.9	60.5	0	0	0	0	115.2
1083	C	27.6	Very low	32	Very low	109 Å²	109	136.2 Å²	136.2	74%	0.736	77%	0.769	S	S	*	*			trans	90	121.7	158.8	-67.1	0	0	0	0	121.4
1084	L	31.4	Very low	32.1	Very low	144 Å²	144	134.7 Å²	134.7	75%	0.754	77%	0.768	S	S	*	*			trans	77.3	107.7	138.2	-63.4	167.7	0	0	0	121.8
1085	N	27.8	Very low	31.8	Very low	136 Å²	136	141 Å²	141	73%	0.727	78%	0.778	S	S	*	*				51.2	100.8	127.9	-62.4	-12.8	0	0	0	120.3
1086	K	32.5	Very low	32	Very low	199 Å²	199	138 Å²	138	87%	0.865	78%	0.778	S	S	*	*				179.2	130.2	103.8	-96.5	160.1	-176	175.4	0	115.7
1087	S	28.4	Very low	32.2	Very low	107 Å²	107	138 Å²	138	75%	0.748	78%	0.783	S	S	*	*			trans	8.8	124.7	148.2	59.2	0	0	0	0	121.3
1088	S	33.7	Very low	32.3	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	79%	0.785	S	S	*	*				-164.2	166.6	125	38.5	0	0	0	0	111.3
1089	N	29.4	Very low	32.3	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	79%	0.792	S	S	*	*			trans	-97.8	178.7	-160.6	-70.3	-26	0	0	0	115
1090	T	31.6	Very low	32.1	Very low	137 Å²	137	140.9 Å²	140.9	84%	0.84	80%	0.797	S	S	*	*			trans	84.4	140.9	164.4	72.9	0	0	0	0	116.9
1091	S	30.8	Very low	32	Very low	106 Å²	106	139 Å²	139	74%	0.741	80%	0.795	S	S	*	*			cis	-167.6	138.5	-16.7	48.8	0	0	0	0	111.6
1092	Q	32.2	Very low	31.8	Very low	194 Å²	194	140.6 Å²	140.6	91%	0.907	80%	0.795	S	S	*	*			trans	-141.5	160.9	163	-91.2	-167.5	-8.2	0	0	110.8
1093	P	32.7	Very low	31.7	Very low	116 Å²	116	141.9 Å²	141.9	75%	0.753	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-93.4	153	-144.5	34.4	-37.2	0	0	0	116.4
1094	P	34.1	Very low	31.8	Very low	126 Å²	126	146.1 Å²	146.1	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-83.7	153.9	176.3	34.7	-35.5	0	0	0	113.5
1095	R	31.7	Very low	31.7	Very low	235 Å²	235	147.1 Å²	147.1	89%	0.887	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-90.1	159.3	160	-78.5	-170.1	179.1	-137.4	2.7	110.9
1096	P	34.6	Very low	31.7	Very low	129 Å²	129	152 Å²	152	84%	0.838	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.6	145	-162.8	-13	30.2	0	0	0	114.4
1097	V	35.5	Very low	31.5	Very low	130 Å²	130	147.2 Å²	147.2	79%	0.788	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-103.1	135.7	168.2	-179.4	0	0	0	0	108.5
1098	P	37.2	Very low	31.5	Very low	107 Å²	107	147 Å²	147	70%	0.695	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.8	138.5	173.4	29.3	-34.1	0	0	0	110.9
1099	P	36.2	Very low	31.3	Very low	130 Å²	130	145.7 Å²	145.7	84%	0.844	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-76.9	128.9	-172.5	29.9	-34.5	0	0	0	112.6
1100	H	31.7	Very low	31.4	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.815	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-72.9	163.5	163	-96.8	-101.7	0	0	0	111.9
1101	S	29	Very low	31.2	Very low	101 Å²	101	144.9 Å²	144.9	71%	0.706	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-57.3	140.6	-176.5	40.9	0	0	0	0	114.4
1102	F	29.6	Very low	31.2	Very low	198 Å²	198	149 Å²	149	87%	0.868	77%	0.774	S	S	*	*			trans	-106.3	116.3	160.4	-99.5	-83.3	0	0	0	109.8
1103	I	27.7	Very low	31	Very low	130 Å²	130	148.3 Å²	148.3	67%	0.667	77%	0.771	S	S	*	*			trans	-77.7	140.6	173.5	-64.2	168.4	0	0	0	109.3
1104	F	29.9	Very low	31	Very low	198 Å²	198	147.3 Å²	147.3	87%	0.868	77%	0.772	S	S	*	*			trans	-134	110.4	160.8	-108.2	-82.2	0	0	0	110.7
1105	H	28.4	Very low	30.9	Very low	165 Å²	165	146.5 Å²	146.5	76%	0.764	77%	0.769	S	S	*	*			trans	-66	143.6	171	-69.7	-93.5	0	0	0	111.4
1106	R	28.9	Very low	30.9	Very low	237 Å²	237	140.2 Å²	140.2	89%	0.894	76%	0.761	S	S	*	*				-171.5	107.8	120.8	-104.7	168.4	-177	-141	-1.6	115.1
1107	S	27.9	Very low	30.7	Very low	99 Å²	99	140.6 Å²	140.6	69%	0.692	77%	0.766	S	S	*	*				56.9	95.3	120.2	-51.6	0	0	0	0	121
1108	S	27.9	Very low	30.6	Very low	102 Å²	102	142.4 Å²	142.4	71%	0.713	77%	0.766	S	S	*	*				71.5	142	116	66.3	0	0	0	0	123.5
1109	S	29.7	Very low	30.4	Very low	94 Å²	94	142.5 Å²	142.5	66%	0.657	77%	0.769	S	S	*	*			trans	70.9	121.9	145.1	70.9	0	0	0	0	118
1110	N	31.8	Very low	30.3	Very low	138 Å²	138	145 Å²	145	74%	0.738	77%	0.767	S	S	*	*			cis	-165.4	139.9	48.7	-85.4	-58.6	0	0	0	114.9
1111	E	28	Very low	30.4	Very low	132 Å²	132	141.5 Å²	141.5	62%	0.617	76%	0.762	S	S	*	*				42.9	113.5	117.9	-132	-162.1	-169.8	0	0	121.3
1112	R	30.6	Very low	30.7	Very low	193 Å²	193	141.8 Å²	141.8	73%	0.728	76%	0.76	S	S	*	*				158.9	111.6	108	-84.2	172.1	-166	-120.5	-14.4	117.1
1113	Q	28.4	Very low	30.9	Very low	179 Å²	179	137.7 Å²	137.7	84%	0.836	75%	0.751	S	S	*	*				47.1	146.4	125.6	-63.7	-175.7	-13.1	0	0	124.8
1114	A	32.4	Very low	31.3	Very low	95 Å²	95	137.8 Å²	137.8	79%	0.785	75%	0.753	S	S	*	*			trans	86.7	144.5	149.6	0	0	0	0	0	119.8
1115	S	32	Very low	31.4	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	75%	0.746	S	S	*	*			cis	-171.2	138.8	-21.7	53.9	0	0	0	0	113.4
1116	S	31.6	Very low	31.6	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	75%	0.749	S	S	*	*			trans	39.6	130.1	144.3	-168.4	0	0	0	0	122.6
1117	C	30.7	Very low	31.7	Very low	137 Å²	137	128.9 Å²	128.9	93%	0.926	74%	0.741	S	S	*	*			trans	-153.6	160.4	132.9	-121.2	0	0	0	0	111.6
1118	Q	32.1	Very low	31.9	Very low	168 Å²	168	130.2 Å²	130.2	79%	0.785	74%	0.74	S	S	*	*			trans	-127.5	156	-165.7	-60.2	177.6	-19	0	0	114.6
1119	S	34.1	Very low	32	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	74%	0.735	S	S	*	*				169.4	156.3	129.7	47	0	0	0	0	112.9
1120	K	34.7	Very low	32.1	Very low	182 Å²	182	133 Å²	133	79%	0.791	74%	0.739	S	S	*	*			cis	-166.1	128	-21	-108.6	178.1	-178.4	175.7	0	111
1121	S	32.8	Very low	32	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	74%	0.74	S	S	*	*			trans	53	162.4	142.5	66.8	0	0	0	0	120.5
1122	T	34.6	Very low	32.2	Very low	107 Å²	107	135 Å²	135	66%	0.656	75%	0.751	S	S	*	*			cis	-167.9	100.8	42.6	-42.7	0	0	0	0	115.9
1123	T	34.4	Very low	32	Very low	111 Å²	111	130.5 Å²	130.5	68%	0.681	75%	0.75	S	S	*	*			trans	55.9	166	142.8	71.5	0	0	0	0	121
1124	N	35.6	Very low	32.1	Very low	133 Å²	133	128.6 Å²	128.6	71%	0.711	75%	0.751	S	S	*	*			cis	-148.3	135.7	14.6	-95.1	-55.4	0	0	0	108.2
1125	N	32.3	Very low	31.8	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	75%	0.752	S	S	*	*				85.2	122.4	69.1	-79.7	-38.1	0	0	0	117.4
1126	L	32.6	Very low	31.6	Very low	159 Å²	159	135.9 Å²	135.9	83%	0.832	76%	0.759	S	S	*	*			trans	143.4	118.6	142	-130.2	62.7	0	0	0	110.6
1127	V	30.6	Very low	31.4	Very low	117 Å²	117	136.9 Å²	136.9	71%	0.709	76%	0.76	S	S	*	*			cis	74.2	135.9	43.8	-178	0	0	0	0	112.4
1128	D	33.2	Very low	31.7	Very low	128 Å²	128	135.4 Å²	135.4	68%	0.684	75%	0.75	S	S	*	*			cis	-110	173.5	-0.7	-106.6	-25.7	0	0	0	110.7
1129	S	29.5	Very low	31.4	Very low	86 Å²	86	132.8 Å²	132.8	60%	0.601	75%	0.749	S	S	*	*			cis	106.3	157.2	11.4	110.6	0	0	0	0	118.8
1130	K	33	Very low	31.2	Very low	169 Å²	169	139.7 Å²	139.7	74%	0.735	76%	0.759	S	S	*	*			trans	88.1	110.2	179.8	-60.8	174.3	-175.1	162	0	117.6
1131	I	29.3	Very low	30.8	Very low	148 Å²	148	141 Å²	141	76%	0.759	76%	0.764	S	S	*	*				74.6	113.6	76.9	-68.1	167.5	0	0	0	111.6
1132	N	31.7	Very low	31.2	Very low	162 Å²	162	141.5 Å²	141.5	87%	0.866	77%	0.765	S	S	*	*				-163.6	171.9	77	-139	-18.3	0	0	0	115.1
1133	S	26.5	Very low	30.9	Very low	99 Å²	99	143.7 Å²	143.7	69%	0.692	78%	0.778	S	S	*	*			trans	-106.2	144.3	-173.9	177.7	0	0	0	0	114.7
1134	T	30.3	Very low	30.7	Very low	139 Å²	139	141.9 Å²	141.9	85%	0.853	78%	0.782	S	S	*	*			trans	-148.8	129.6	153.5	-40	0	0	0	0	110.9
1135	Q	26.3	Very low	30.3	Very low	174 Å²	174	138.9 Å²	138.9	81%	0.813	78%	0.782	S	S	*	*			trans	-81	153	168.6	-61.7	174.2	-9.6	0	0	111.3
1136	M	28.7	Very low	30	Very low	182 Å²	182	143.9 Å²	143.9	90%	0.897	79%	0.792	S	S	*	*			trans	-168	145.2	143.8	-104.1	-58.3	149.6	0	0	111.8
1137	T	27.4	Very low	29.7	Very low	124 Å²	124	144.3 Å²	144.3	76%	0.761	79%	0.79	S	S	*	*			trans	-119.6	-174	178.5	54.4	0	0	0	0	109.4
1138	P	36.3	Very low	30.2	Very low	107 Å²	107	145.4 Å²	145.4	70%	0.695	79%	0.791	S	S	*	*				-126.2	-162.5	-50.9	32.9	-15	0	0	0	111.9
1139	S	24.7	Very low	30.1	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	80%	0.799	S	S	*	*			trans	76.4	121.6	152.3	-64.7	0	0	0	0	121.3
1140	R	30	Very low	30	Very low	256 Å²	256	144.8 Å²	144.8	97%	0.966	80%	0.804	S	S	*	*			trans	-144.9	151.7	132	-108	178.8	-176.1	-159.3	-1	110.6
1141	K	27.4	Very low	29.9	Very low	209 Å²	209	145 Å²	145	91%	0.909	81%	0.812	S	S	*	*			trans	-123.1	177.8	-171.7	-108.5	-161.7	172.3	179.2	0	111
1142	P	40.1	Very low	29.8	Very low	114 Å²	114	142.7 Å²	142.7	74%	0.74	81%	0.809	S	S	*	*			trans	-111.7	179.6	-142.1	43.8	-39.3	0	0	0	116
1143	V	28.3	Very low	29.6	Very low	153 Å²	153	142.2 Å²	142.2	93%	0.927	81%	0.807	S	S	*	*			trans	-142.2	142.4	158.3	-174.9	0	0	0	0	106
1144	G	30.3	Very low	29.6	Very low	73 Å²	73	145.2 Å²	145.2	75%	0.753	82%	0.815	S	S	*	*			cis	-172.5	163.4	-6	0	0	0	0	0	108
1145	G	28.3	Very low	29.5	Very low	69 Å²	69	144 Å²	144	71%	0.711	81%	0.813	S	S	*	*			trans	-137.4	170.2	-175.3	0	0	0	0	0	113.6
1146	Y	26.6	Very low	29.4	Very low	242 Å²	242	145.3 Å²	145.3	95%	0.949	82%	0.816	S	S	*	*			trans	-133.4	149.3	172.8	-76.3	-76.7	0	0	0	110.7
1147	Q	25.5	Very low	29.2	Very low	168 Å²	168	139.5 Å²	139.5	79%	0.785	79%	0.793	S	S	*	*			trans	-125.6	154.8	-169.7	-174.2	72.7	12.3	0	0	110
1148	L	40.2	Very low	29.2	Very low	140 Å²	140	137.8 Å²	137.8	73%	0.733	79%	0.786	S	S	*	*			trans	-32.4	163.8	172	-55.1	170	0	0	0	117.1
1149	P	32.4	Very low	28.7	Very low	132 Å²	132	138.3 Å²	138.3	86%	0.857	79%	0.787	S	S	*	*				-122.5	168.3	109.3	36.9	-34.4	0	0	0	112.7
1150	G	27.9	Very low	28.8	Very low	68 Å²	68	139.1 Å²	139.1	70%	0.701	78%	0.782	S	S	*	*			trans	-133.6	-178.9	-174.9	0	0	0	0	0	114.7
1151	L	29.2	Very low	28.8	Very low	173 Å²	173	133.3 Å²	133.3	91%	0.906	76%	0.76	S	S	*	*			trans	-148.2	154.7	174.4	-65.1	172.5	0	0	0	105.3
1152	S	28.1	Very low	28.9	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	76%	0.76	S	S	*	*			cis	-177.9	141.8	-21.5	49.6	0	0	0	0	104.6
1153	D	27.4	Very low	28.3	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	76%	0.764	S	S	*	*			trans	-64	142.9	-162.2	-48.1	-86.6	0	0	0	115.3
1154	N	26.9	Very low	28.5	Very low	162 Å²	162	134.9 Å²	134.9	87%	0.866	75%	0.754	S	S	*	*			trans	177.5	160.6	131.2	-96.7	-62.8	0	0	0	112.1
1155	S	27	Very low	28.4	Very low	114 Å²	114	138.5 Å²	138.5	80%	0.797	76%	0.755	S	S	*	*			trans	66.7	87.7	171.3	-171.7	0	0	0	0	117.8
1156	F	24.2	Very low	28.2	Very low	200 Å²	200	140.7 Å²	140.7	88%	0.877	76%	0.758	S	S	*	*			trans	-119.9	119.7	155.5	-94.8	-89.7	0	0	0	110	V1159	F1156-V1159 HydrophobicContact CD1-CG2 4.49Å
1157	S	25.2	Very low	28.4	Very low	60 Å²	60	134.3 Å²	134.3	42%	0.42	74%	0.744	S	S	.	*			trans	-151.3	154.1	167.3	-171	0	0	0	0	108.1	E638	E638-S1157 VanDerWaalsContact OE1-CB 3.28Å; E638-S1157 WeakPolarHBondContact OE1-CB 3.39Å; E638-S1157 PolarHBondContact OE1-OG 3.42Å
1158	S	27.6	Very low	28.5	Very low	88 Å²	88	133.5 Å²	133.5	62%	0.615	75%	0.745	S	S	*	*			trans	56.6	101.4	-173.1	70.7	0	0	0	0	115.9
1159	V	26	Very low	27.9	Very low	119 Å²	119	135.5 Å²	135.5	72%	0.721	76%	0.756	S	S	*	*			trans	-132.3	79	170.7	-175.4	0	0	0	0	110.2	F1156	F1156-V1159 HydrophobicContact CD1-CG2 4.49Å
1160	L	27.2	Very low	27.7	Very low	128 Å²	128	134.3 Å²	134.3	67%	0.67	75%	0.75	S	S	*	*			trans	-151.8	139.2	169	-112	148.7	0	0	0	111
1161	R	28.4	Very low	27.8	Very low	135 Å²	135	140.3 Å²	140.3	51%	0.509	76%	0.757	S	S	.	*			trans	70	101.1	176.6	-48.4	172.1	-157.6	168.7	12.7	116.3	E630	E630-R1161 IonicContact OE2-CZ 3.65Å; E630-R1161 IonicContact OE2-NH2 3.51Å; E630-R1161 PolarHBondContact OE2-NH2 3.17Å
1162	R	30.2	Very low	27.7	Very low	239 Å²	239	137 Å²	137	90%	0.902	75%	0.748	S	S	*	*			trans	-151.5	74.4	151.1	-119.8	172	-170.8	178	2.3	113.1
1163	T	27	Very low	27.8	Very low	136 Å²	136	139.6 Å²	139.6	83%	0.834	75%	0.754	S	S	*	*			trans	-98	65.1	165.5	52.4	0	0	0	0	110.5
1164	N	32.7	Very low	27.8	Very low	134 Å²	134	140.6 Å²	140.6	72%	0.717	76%	0.759	S	S	*	*			trans	-143.5	105	168.1	-98.9	-14.2	0	0	0	108.2
1165	I	27.7	Very low	28	Very low	148 Å²	148	137 Å²	137	76%	0.759	75%	0.747	S	S	*	*			trans	-128.9	95.4	-179.7	-57.7	175.1	0	0	0	107.6
1166	C	25.8	Very low	28.1	Very low	116 Å²	116	140 Å²	140	78%	0.784	75%	0.748	S	S	*	*	S	Bend	trans	169	42.1	147.6	-96.7	0	0	0	0	116.8
1167	T	29.7	Very low	28.3	Very low	108 Å²	108	139 Å²	139	66%	0.663	75%	0.746	S	S	*	*			trans	-148.4	85.6	164.6	47.8	0	0	0	0	112.1
1168	D	28.2	Very low	28.4	Very low	150 Å²	150	141 Å²	141	80%	0.802	76%	0.759	S	S	*	*			trans	-164	78.5	165.8	-122	-26	0	0	0	112.3
1169	L	28	Very low	28.4	Very low	183 Å²	183	145.5 Å²	145.5	96%	0.958	77%	0.77	S	S	*	*			trans	-150.4	37.4	173.9	-96	-174.2	0	0	0	112.5
1170	S	28.2	Very low	28.6	Very low	106 Å²	106	148.7 Å²	148.7	74%	0.741	79%	0.793	S	S	*	*			trans	-151.8	54.6	-174	57.1	0	0	0	0	114
1171	K	28.8	Very low	28.7	Very low	195 Å²	195	149.7 Å²	149.7	85%	0.848	80%	0.799	S	S	*	*			trans	-153.5	46.3	173.8	-112.8	156.1	-168.4	170.6	0	114.6
1172	S	28	Very low	28.7	Very low	102 Å²	102	150.5 Å²	150.5	71%	0.713	82%	0.815	S	S	*	*	S	Bend	trans	-159.4	82	166.2	176.3	0	0	0	0	113.1
1173	L	29.6	Very low	28.7	Very low	156 Å²	156	145.6 Å²	145.6	82%	0.817	81%	0.81	S	S	*	*			trans	178.5	89.3	142.9	-99.2	161.1	0	0	0	109.9
1174	N	27.2	Very low	28.8	Very low	174 Å²	174	146.1 Å²	146.1	93%	0.93	81%	0.808	S	S	*	*			trans	-90.1	102.2	162	-95.6	25.3	0	0	0	108.3
1175	S	31.2	Very low	28.5	Very low	86 Å²	86	146.9 Å²	146.9	60%	0.601	81%	0.814	S	S	*	*			trans	-171.8	108.4	160.4	51.9	0	0	0	0	110.8
1176	Q	28.3	Very low	28.6	Very low	178 Å²	178	146.8 Å²	146.8	83%	0.832	82%	0.818	S	S	*	*			trans	15	116.1	145	-62	168.7	-89.4	0	0	117.8
1177	E	30.2	Very low	28.8	Very low	177 Å²	177	149 Å²	149	83%	0.827	82%	0.82	S	S	*	*				177.3	127.9	99.5	-102.2	161.7	-168.2	0	0	112.3
1178	C	27	Very low	28.7	Very low	102 Å²	102	152.2 Å²	152.2	69%	0.689	83%	0.832	S	S	*	*			trans	24.8	139.6	158.1	-50.8	0	0	0	0	124.4
1179	E	27	Very low	28.7	Very low	183 Å²	183	152.3 Å²	152.3	86%	0.855	84%	0.835	S	S	*	*			trans	-63.5	176.4	160.1	-106.4	166.6	-161.4	0	0	113
1180	P	31.1	Very low	28.8	Very low	186 Å²	186	149.5 Å²	149.5	100%	1.208	82%	0.824	S	S	*	*			cis	-89.3	0	16.7	37.9	-38.5	0	0	0	116.1

Retrieved 1,180 of 1,180 residues in 1088.8 ms (Link to these results)

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