A0A3Q0KNK1_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 957 aa.

						>A0A3Q0KNK1_SCHMA|A0A3Q0KNK1
MSVLSDTLHAANGNEETVSKADMCPRRLSRVSRLRDMFQTGVVKPIDDTEDGFDIESPVFSAYTCPDFERFSRAFPGSPPMKTLRNHRTTLNKNESTQHSTTSSRSVDGSFSIPESLSPLKSPPTRPPKPRNISLSKSAVLEEVKLKPISSKIAAENTSCNGVTEPVRISSYSITNVGNSTDNQPSIVKVNGSSLNSTTTRNSTPVTIINAGPQQTSKNPVECLSYASITPLYSSNKNEKTTENDVNNAISNDVHSQSCETTIQPSEDLNSQSTHSTCNSSIDHQCTLPNSSDIQDFVLRPEAFHKSPFPEIVCKDKIDDLPVLQHAEPVAVNAEDDDDGLDEKIENTENSFEIVISSSQCNASFSPLITLPVPKGLNVVAVDDDGVHIFEDGNFLYALPGLTDKYSDDSDFYDSREDITNISDLISPSYTAEQVNDEENVKTNIEKVLSVSSSNSPKSITTRKLVNKRSGSSDSLVKQPRVRFSSEPILVFSTHSTTDYNRRNEEIDPLSASAEYELEKHLEDMDMFEIDFRKGVNGLGISIVGSGVDTSSGEQKLSIFIKSLTSGGAAEADGRIQVYDQIVQVDGHSLVGVSQQFAAQVLQNTGEIIHFVIAREKDPPNSRIAKILTEKQQEEDEENNKGEEKAVEKELKWNNNSSDKYQEVVSTQTDNPVNLSGGDSTEALHNLIAVATRSLKEAKQWNKDDDDDNDEEDAIAIDESSIDCDMEYLNVNNNNDANDSSPINSLFQQFRKSSSGGDNVKSLNGYSTDLNYQHSSPRSALKGTATAASTRRRNEAIMEYIRQAVLIQDNVHLPTNLINKTDYTDKSQNSNITTDCLNTVSWALASELHDHRIQLRKFQSRNRNLEQRLTAQEAAADEAIERLCLRCRHLELELKQSQQKCSQLMSPKQQNISNSNNYSLGANNLCNPIYHSSMLNASSYKEDDGVVVSGENPVEFS
					

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(Predicted Aligned Error values between residue pairs)

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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	32.4	Very low	33	Very low	200 Å²	200	111.7 Å²	111.7	99%	0.985	66%	0.657	S	S	*	*				0	-55.4	0	-73.9	-59.6	-86.9	0	0	113.2	V3 L4	M1-V3 PolarHBondContact O-N 3.31Å; M1-V3 VanDerWaalsContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 2.66Å
2	S	28.5	Very low	32.9	Very low	85 Å²	85	112.3 Å²	112.3	59%	0.594	66%	0.656	S	S	*	*	H	α-helix	trans	-38.1	-54.9	-176.2	47.4	0	0	0	0	116.1	L4 S5	S2-L4 PolarHBondContact O-N 2.75Å; S2-S5 WeakPolarHBondContact O-CB 3.44Å; S2-S5 PolarHBondContact O-N 2.81Å
3	V	36.2	Very low	32.7	Very low	108 Å²	108	108.2 Å²	108.2	66%	0.655	65%	0.652	S	S	*	*	H	α-helix	trans	-59.2	-17.8	-174.7	-169.6	0	0	0	0	114.2	M1	M1-V3 PolarHBondContact O-N 3.31Å; M1-V3 VanDerWaalsContact O-N 3.14Å
4	L	33.2	Very low	32.4	Very low	131 Å²	131	111.9 Å²	111.9	69%	0.686	67%	0.666	S	S	*	*	H	α-helix	trans	-90.4	-17.9	174.5	-76.2	165.2	0	0	0	113.9	M1 S2	M1-L4 PolarHBondContact O-N 2.66Å; S2-L4 PolarHBondContact O-N 2.75Å
5	S	34.5	Very low	32	Very low	67 Å²	67	117.5 Å²	117.5	47%	0.469	68%	0.683	S	S	.	*	H	α-helix	trans	-74.8	-38.2	174.7	-64.1	0	0	0	0	111.8	S2 T7 L8 H9	S2-S5 WeakPolarHBondContact O-CB 3.44Å; S2-S5 PolarHBondContact O-N 2.81Å; S5-T7 VanDerWaalsContact C-N 3.33Å; S5-T7 PolarHBondContact O-N 2.92Å; S5-L8 CarbonylContact O-C 3.58Å; S5-L8 WeakPolarHBondContact O-CA 3.29Å; S5-L8 WeakPolarHBondContact O-CB 3.29Å; S5-L8 PolarHBondContact O-N 3.41Å; S5-H9 PolarHBondContact O-N 2.75Å
6	D	31.6	Very low	31.9	Very low	111 Å²	111	120.9 Å²	120.9	59%	0.594	69%	0.691	S	S	*	*	H	α-helix	trans	-63.8	-38.6	-175.5	-56.1	-28.7	0	0	0	111.8	L8 H9 A10	D6-L8 PolarHBondContact O-N 3.1Å; D6-H9 PolarHBondContact O-N 2.91Å; D6-A10 PolarHBondContact O-N 2.82Å; D6-A10 VanDerWaalsContact O-N 3.14Å
7	T	34.9	Very low	31.9	Very low	103 Å²	103	122.3 Å²	122.3	63%	0.632	70%	0.702	S	S	*	*	H	α-helix	trans	-68.5	-20	174.3	-35.8	0	0	0	0	112.7	S5	S5-T7 VanDerWaalsContact C-N 3.33Å; S5-T7 PolarHBondContact O-N 2.92Å
8	L	32.5	Very low	31.7	Very low	108 Å²	108	122.9 Å²	122.9	57%	0.565	71%	0.708	S	S	*	*	H	α-helix	trans	-91.6	-29.9	179.8	-124.8	165.5	0	0	0	112.2	S5 D6	S5-L8 CarbonylContact O-C 3.58Å; S5-L8 WeakPolarHBondContact O-CA 3.29Å; S5-L8 WeakPolarHBondContact O-CB 3.29Å; S5-L8 PolarHBondContact O-N 3.41Å; D6-L8 PolarHBondContact O-N 3.1Å
9	H	32.4	Very low	31.5	Very low	154 Å²	154	121 Å²	121	71%	0.713	70%	0.703	S	S	*	*	H	α-helix	trans	-73.7	-39.1	170.7	-93.7	44.8	0	0	0	112.5	S5 D6 A11 N12	S5-H9 PolarHBondContact O-N 2.75Å; D6-H9 PolarHBondContact O-N 2.91Å; H9-A11 PolarHBondContact O-N 2.69Å; H9-A11 VanDerWaalsContact O-N 3.16Å; H9-N12 PolarHBondContact O-N 3.37Å
10	A	34	Very low	31.7	Very low	87 Å²	87	125.9 Å²	125.9	72%	0.719	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-22.2	175.8	0	0	0	0	0	113.9	D6	D6-A10 PolarHBondContact O-N 2.82Å; D6-A10 VanDerWaalsContact O-N 3.14Å
11	A	32.9	Very low	31.8	Very low	75 Å²	75	123.4 Å²	123.4	62%	0.62	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-15.1	-179.7	0	0	0	0	0	114.5	H9	H9-A11 PolarHBondContact O-N 2.69Å; H9-A11 VanDerWaalsContact O-N 3.16Å
12	N	32.1	Very low	31.7	Very low	119 Å²	119	120 Å²	120	64%	0.636	70%	0.696	S	S	*	*	S	Bend	trans	-108.6	13.3	-173.1	-71.8	-5.1	0	0	0	113.5	H9	H9-N12 PolarHBondContact O-N 3.37Å
13	G	29.5	Very low	31.9	Very low	59 Å²	59	122.4 Å²	122.4	61%	0.608	70%	0.699	S	S	*	*	S	Bend	trans	-79	-33.5	-176.5	0	0	0	0	0	115.3
14	N	28.5	Very low	31.7	Very low	159 Å²	159	121.6 Å²	121.6	85%	0.85	70%	0.698	S	S	*	*			trans	-123.9	79.7	-166.9	-65.9	11.7	0	0	0	112	E16	N14-E16 PolarHBondContact O-N 3.48Å
15	E	27.2	Very low	31.7	Very low	196 Å²	196	120.5 Å²	120.5	92%	0.916	70%	0.699	S	S	*	*			trans	-89.6	60.7	167.9	-75.3	-154.5	137.8	0	0	112.6
16	E	30.4	Very low	31.8	Very low	173 Å²	173	127.9 Å²	127.9	81%	0.808	72%	0.716	S	S	*	*	S	Bend	trans	-125.5	116	157.2	-75.4	-159.8	135	0	0	111.1	N14	N14-E16 PolarHBondContact O-N 3.48Å
17	T	30.9	Very low	32	Very low	144 Å²	144	131.8 Å²	131.8	88%	0.883	72%	0.722	S	S	*	*			trans	46.7	80	164.5	55	0	0	0	0	118.3
18	V	28.7	Very low	32.2	Very low	133 Å²	133	132.1 Å²	132.1	81%	0.806	72%	0.72	S	S	*	*			trans	-125	129.3	154.6	-178.4	0	0	0	0	110.2
19	S	29	Very low	32.7	Very low	87 Å²	87	130 Å²	130	61%	0.608	71%	0.714	S	S	*	*			trans	-75	145	178.6	36	0	0	0	0	112.7	A21	S19-A21 PolarHBondContact O-N 2.77Å
20	K	34.5	Very low	33.1	Very low	218 Å²	218	132 Å²	132	95%	0.948	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	26.5	-175.1	-77.3	-178	171.6	175.3	0	115.7
21	A	33.5	Very low	33.7	Very low	75 Å²	75	131.8 Å²	131.8	62%	0.62	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-45.7	-177.5	0	0	0	0	0	112.9	S19 M23	S19-A21 PolarHBondContact O-N 2.77Å; A21-M23 PolarHBondContact O-N 3.09Å
22	D	30.7	Very low	34.2	Very low	129 Å²	129	130.8 Å²	130.8	69%	0.69	69%	0.693	S	S	*	*			trans	-98.6	37.5	-152.5	-47.2	-61.9	0	0	0	115
23	M	33.5	Very low	34.7	Very low	134 Å²	134	134.2 Å²	134.2	66%	0.66	70%	0.697	S	S	*	*			trans	-104.5	100.9	178.1	-74.7	-126.5	77.2	0	0	112.8	A21	A21-M23 PolarHBondContact O-N 3.09Å
24	C	31	Very low	35.3	Very low	92 Å²	92	136.1 Å²	136.1	62%	0.622	69%	0.693	S	S	*	*			trans	-50.9	125.3	-177.8	-60.7	0	0	0	0	114	R26 R27	C24-R26 PolarHBondContact O-N 3.42Å; C24-R27 PolarHBondContact O-N 3.03Å; C24-R27 VanDerWaalsContact O-N 3.12Å
25	P	34.2	Very low	36.3	Very low	108 Å²	108	136.2 Å²	136.2	70%	0.701	68%	0.682	S	S	*	*	H	α-helix	trans	-55	-29	-173.4	-30.3	35.5	0	0	0	116	R27 L28 S29	P25-R27 PolarHBondContact O-N 3.13Å; P25-L28 PolarHBondContact O-N 3.5Å; P25-S29 PolarHBondContact O-N 3.29Å
26	R	35	Very low	37.1	Very low	221 Å²	221	131.2 Å²	131.2	83%	0.834	66%	0.661	S	S	*	*	H	α-helix	trans	-61.3	-23.5	179.8	-73.5	-178.3	173.5	174.1	-1.8	114	C24 S29	C24-R26 PolarHBondContact O-N 3.42Å; R26-S29 PolarHBondContact O-OG 2.93Å
27	R	36	Very low	37.7	Very low	193 Å²	193	127.3 Å²	127.3	73%	0.728	64%	0.644	S	S	*	*	H	α-helix	trans	-77.3	-38.5	175.8	-95.5	-178.8	165.1	161.5	-3.8	112.5	C24 P25 S29 V31	C24-R27 PolarHBondContact O-N 3.03Å; C24-R27 VanDerWaalsContact O-N 3.12Å; P25-R27 PolarHBondContact O-N 3.13Å; R27-S29 PolarHBondContact O-N 3.46Å; R27-V31 PolarHBondContact O-N 2.82Å
28	L	39.9	Very low	38.3	Very low	111 Å²	111	127.2 Å²	127.2	58%	0.581	63%	0.632	S	S	*	*	H	α-helix	trans	-64	-39.8	178.4	-79.3	161.6	0	0	0	112.2	P25 R30 V31 S32	P25-L28 PolarHBondContact O-N 3.5Å; L28-R30 VanDerWaalsContact C-N 3.34Å; L28-R30 PolarHBondContact O-N 3.07Å; L28-V31 PolarHBondContact O-N 2.87Å; L28-S32 PolarHBondContact O-N 2.96Å; L28-S32 PolarHBondContact O-OG 3.37Å
29	S	43.4	Very low	39.3	Very low	63 Å²	63	128.3 Å²	128.3	44%	0.441	63%	0.628	S	S	.	*	H	α-helix	trans	-63.6	-34.4	-177.7	68	0	0	0	0	114	P25 R26 R27 R33	P25-S29 PolarHBondContact O-N 3.29Å; R26-S29 PolarHBondContact O-OG 2.93Å; R27-S29 PolarHBondContact O-N 3.46Å; S29-R33 WeakPolarHBondContact O-CB 3.39Å; S29-R33 WeakPolarHBondContact O-CG 3.48Å; S29-R33 PolarHBondContact O-N 2.8Å
30	R	39.7	Very low	40	Very low	196 Å²	196	128.8 Å²	128.8	74%	0.74	63%	0.628	S	S	*	*	H	α-helix	trans	-69.7	-40	174	-75.8	-174.6	173.3	172.4	-0.7	112.3	L28 L34	L28-R30 VanDerWaalsContact C-N 3.34Å; L28-R30 PolarHBondContact O-N 3.07Å; R30-L34 PolarHBondContact O-N 3.44Å
31	V	46.2	Very low	39.9	Very low	82 Å²	82	121 Å²	121	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-69	-41.3	178.2	177.7	0	0	0	0	111.3	R27 L28 L34 R35	R27-V31 PolarHBondContact O-N 2.82Å; L28-V31 PolarHBondContact O-N 2.87Å; V31-L34 PolarHBondContact O-N 3.08Å; V31-R35 PolarHBondContact O-N 3.37Å
32	S	43.7	Very low	40.3	Very low	55 Å²	55	122.8 Å²	122.8	39%	0.385	61%	0.612	S	S	.	*	H	α-helix	trans	-64.5	-47.1	174.6	-61.3	0	0	0	0	111.8	L28 L34 R35 D36	L28-S32 PolarHBondContact O-N 2.96Å; L28-S32 PolarHBondContact O-OG 3.37Å; S32-L34 VanDerWaalsContact C-N 3.32Å; S32-L34 PolarHBondContact O-N 3.23Å; S32-R35 WeakPolarHBondContact O-CA 3.34Å; S32-R35 WeakPolarHBondContact O-CB 3.41Å; S32-R35 PolarHBondContact O-N 2.85Å; S32-D36 VanDerWaalsContact O-CG 3.3Å; S32-D36 PolarHBondContact O-N 3.45Å
33	R	43	Very low	40.2	Very low	190 Å²	190	120.1 Å²	120.1	72%	0.717	60%	0.6	S	S	*	*	H	α-helix	trans	-58.7	-40.6	176.2	-81.1	-176.5	171.2	179.4	-2.4	112.9	S29 D36 M37	S29-R33 WeakPolarHBondContact O-CB 3.39Å; S29-R33 WeakPolarHBondContact O-CG 3.48Å; S29-R33 PolarHBondContact O-N 2.8Å; R33-D36 PolarHBondContact O-N 2.71Å; R33-M37 WeakPolarHBondContact O-CB 3.44Å; R33-M37 VanDerWaalsContact O-CG 3.25Å; R33-M37 WeakPolarHBondContact O-CG 3.13Å; R33-M37 PolarHBondContact O-N 2.9Å
34	L	42.5	Very low	40.1	Very low	100 Å²	100	122.1 Å²	122.1	52%	0.524	61%	0.605	S	S	.	*	H	α-helix	trans	-63.9	-41.2	174	-83.7	164.8	0	0	0	112.1	R30 V31 S32 M37 F38	R30-L34 PolarHBondContact O-N 3.44Å; V31-L34 PolarHBondContact O-N 3.08Å; S32-L34 VanDerWaalsContact C-N 3.32Å; S32-L34 PolarHBondContact O-N 3.23Å; L34-M37 PolarHBondContact O-N 2.87Å; L34-F38 VanDerWaalsContact O-CD2 3.26Å; L34-F38 WeakPolarHBondContact O-CD2 3.47Å; L34-F38 PolarHBondContact O-N 3.42Å
35	R	49.6	Very low	40	Very low	160 Å²	160	122.2 Å²	122.2	60%	0.604	60%	0.604	S	S	*	*	H	α-helix	trans	-60.8	-46.5	174.5	-174.6	176.2	-67.6	163.1	0.1	111.5	V31 S32 M37 F38 Q39	V31-R35 PolarHBondContact O-N 3.37Å; S32-R35 WeakPolarHBondContact O-CA 3.34Å; S32-R35 WeakPolarHBondContact O-CB 3.41Å; S32-R35 PolarHBondContact O-N 2.85Å; R35-M37 VanDerWaalsContact C-N 3.32Å; R35-M37 PolarHBondContact O-N 2.73Å; R35-F38 PolarHBondContact O-N 2.97Å; R35-Q39 WeakPolarHBondContact O-CB 3.37Å; R35-Q39 PolarHBondContact O-N 3.48Å
36	D	43.7	Very low	39.9	Very low	92 Å²	92	124 Å²	124	49%	0.492	61%	0.606	S	S	.	*	H	α-helix	trans	-65.6	-34	178.9	-61.8	-28.8	0	0	0	112.2	S32 R33 Q39 T40	S32-D36 VanDerWaalsContact O-CG 3.3Å; S32-D36 PolarHBondContact O-N 3.45Å; R33-D36 PolarHBondContact O-N 2.71Å; D36-Q39 PolarHBondContact O-N 2.9Å; D36-T40 WeakPolarHBondContact O-CB 3.38Å; D36-T40 VanDerWaalsContact O-CG2 3.31Å; D36-T40 WeakPolarHBondContact O-CG2 3.48Å; D36-T40 PolarHBondContact O-N 3.19Å; D36-T40 PolarHBondContact O-OG1 2.91Å
37	M	42.7	Very low	39.7	Very low	90 Å²	90	119.8 Å²	119.8	44%	0.443	60%	0.6	S	S	.	*	H	α-helix	trans	-65.9	-35.8	174.2	-74.9	173.8	69.1	0	0	112.9	R33 L34 R35 T40	R33-M37 WeakPolarHBondContact O-CB 3.44Å; R33-M37 VanDerWaalsContact O-CG 3.25Å; R33-M37 WeakPolarHBondContact O-CG 3.13Å; R33-M37 PolarHBondContact O-N 2.9Å; L34-M37 PolarHBondContact O-N 2.87Å; R35-M37 VanDerWaalsContact C-N 3.32Å; R35-M37 PolarHBondContact O-N 2.73Å; M37-T40 PolarHBondContact O-OG1 2.83Å
38	F	43.5	Very low	39.4	Very low	143 Å²	143	117.7 Å²	117.7	63%	0.627	60%	0.604	S	S	*	*	H	α-helix	trans	-72.7	-35.7	170.1	-78.4	-68.1	0	0	0	112	L34 R35 T40	L34-F38 VanDerWaalsContact O-CD2 3.26Å; L34-F38 WeakPolarHBondContact O-CD2 3.47Å; L34-F38 PolarHBondContact O-N 3.42Å; R35-F38 PolarHBondContact O-N 2.97Å; F38-T40 VanDerWaalsContact C-N 3.32Å; F38-T40 PolarHBondContact O-N 3.06Å
39	Q	49.3	Very low	39.1	Very low	155 Å²	155	118.5 Å²	118.5	72%	0.724	61%	0.614	S	S	*	*	H	α-helix	trans	-70.9	-25.4	-179.9	-145.6	72.4	51.1	0	0	113.5	R35 D36	R35-Q39 WeakPolarHBondContact O-CB 3.37Å; R35-Q39 PolarHBondContact O-N 3.48Å; D36-Q39 PolarHBondContact O-N 2.9Å
40	T	44.3	Very low	38.4	Very low	98 Å²	98	124.7 Å²	124.7	60%	0.601	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-1.7	-177.4	49.8	0	0	0	0	114.7	D36 M37 F38 V42	D36-T40 WeakPolarHBondContact O-CB 3.38Å; D36-T40 VanDerWaalsContact O-CG2 3.31Å; D36-T40 WeakPolarHBondContact O-CG2 3.48Å; D36-T40 PolarHBondContact O-N 3.19Å; D36-T40 PolarHBondContact O-OG1 2.91Å; M37-T40 PolarHBondContact O-OG1 2.83Å; F38-T40 VanDerWaalsContact C-N 3.32Å; F38-T40 PolarHBondContact O-N 3.06Å; T40-V42 PolarHBondContact O-N 2.93Å
41	G	32.5	Very low	37.9	Very low	53 Å²	53	123 Å²	123	55%	0.546	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	71.1	11.1	173.8	0	0	0	0	0	115.8	V43	G41-V43 PolarHBondContact O-N 2.84Å
42	V	42	Very low	37	Very low	114 Å²	114	122.2 Å²	122.2	69%	0.691	65%	0.65	S	S	*	*	S	Bend	trans	-67.2	-24.9	178	179.7	0	0	0	0	111.7	T40	T40-V42 PolarHBondContact O-N 2.93Å
43	V	29	Very low	36.3	Very low	72 Å²	72	129.2 Å²	129.2	44%	0.436	67%	0.674	S	S	.	*	S	Bend	trans	-117.7	115.7	169.8	-177.9	0	0	0	0	108.2	G41	G41-V43 PolarHBondContact O-N 2.84Å
44	K	31	Very low	35.7	Very low	177 Å²	177	127.8 Å²	127.8	77%	0.77	68%	0.68	S	S	*	*			trans	-74.5	145.7	168	-73.6	-171.3	175	-173.1	0	110.1
45	P	29.6	Very low	34.9	Very low	93 Å²	93	130.9 Å²	130.9	60%	0.604	70%	0.696	S	S	*	*			trans	-61.8	153.9	158.6	31.2	-34.5	0	0	0	109.6
46	I	31.1	Very low	33.9	Very low	145 Å²	145	131.6 Å²	131.6	74%	0.744	71%	0.706	S	S	*	*			trans	-84.5	114.5	159.8	-63.5	174.2	0	0	0	105.1	D48	I46-D48 WeakPolarHBondContact CG2-OD1 3.3Å; I46-D48 PolarHBondContact O-N 3.01Å
47	D	31.5	Very low	33.1	Very low	133 Å²	133	131.4 Å²	131.4	71%	0.711	71%	0.712	S	S	*	*			trans	-80.7	92.1	172.9	-67.2	-46.5	0	0	0	108.1	T49	D47-T49 VanDerWaalsContact C-N 3.3Å; D47-T49 PolarHBondContact O-N 2.88Å
48	D	28.5	Very low	32.6	Very low	150 Å²	150	133.6 Å²	133.6	80%	0.802	73%	0.733	S	S	*	*			trans	-70	85.4	172.1	-69.9	-37	0	0	0	109.4	I46	I46-D48 WeakPolarHBondContact CG2-OD1 3.3Å; I46-D48 PolarHBondContact O-N 3.01Å
49	T	34.7	Very low	31.9	Very low	128 Å²	128	132.8 Å²	132.8	79%	0.785	74%	0.739	S	S	*	*			trans	-74.5	130.2	172.7	47.7	0	0	0	0	111.3	D47 D51	D47-T49 VanDerWaalsContact C-N 3.3Å; D47-T49 PolarHBondContact O-N 2.88Å; T49-D51 PolarHBondContact O-N 2.88Å
50	E	28.1	Very low	30.8	Very low	193 Å²	193	135.3 Å²	135.3	90%	0.902	75%	0.748	S	S	*	*			trans	-37.2	118.4	178.2	-58.9	170.5	176.2	0	0	115.3
51	D	30.3	Very low	30	Very low	159 Å²	159	135.7 Å²	135.7	85%	0.85	76%	0.755	S	S	*	*			trans	-118.2	109.7	146.9	-109.7	-35.2	0	0	0	106.9	T49	T49-D51 PolarHBondContact O-N 2.88Å
52	G	26.3	Very low	29.8	Very low	67 Å²	67	136.8 Å²	136.8	69%	0.691	76%	0.759	S	S	*	*			trans	-88.4	128.3	-176.5	0	0	0	0	0	112
53	F	30	Very low	29.3	Very low	202 Å²	202	141.4 Å²	141.4	89%	0.886	77%	0.765	S	S	*	*			trans	-129.4	128	161.7	-93.5	-84.8	0	0	0	110.1
54	D	28.8	Very low	29.3	Very low	159 Å²	159	144.1 Å²	144.1	85%	0.85	78%	0.782	S	S	*	*			trans	-76.1	159.3	-166.3	-74.5	-69	0	0	0	114.9
55	I	27	Very low	29	Very low	166 Å²	166	141.3 Å²	141.3	85%	0.851	78%	0.784	S	S	*	*			trans	-84.7	108.9	172.3	-58.5	167.3	0	0	0	108.7
56	E	27.3	Very low	29.6	Very low	175 Å²	175	141.7 Å²	141.7	82%	0.818	79%	0.786	S	S	*	*			trans	-117.2	102.8	164	-73.3	-150.8	143.1	0	0	112.4
57	S	27.9	Very low	29.5	Very low	88 Å²	88	142.1 Å²	142.1	62%	0.615	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-73.8	145.1	150.8	55.6	0	0	0	0	109.8	V59	S57-V59 PolarHBondContact O-N 2.8Å
58	P	31.7	Very low	29.3	Very low	136 Å²	136	145.1 Å²	145.1	88%	0.883	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-61.5	128.9	-174.9	24.7	-34.5	0	0	0	113.1
59	V	29.1	Very low	29.4	Very low	126 Å²	126	144 Å²	144	76%	0.764	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-93.3	142.1	-170.2	168.9	0	0	0	0	112.5	S57	S57-V59 PolarHBondContact O-N 2.8Å
60	F	26.5	Very low	29	Very low	207 Å²	207	146.3 Å²	146.3	91%	0.908	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-72.9	147.2	171	-116.8	-93.1	0	0	0	111.5
61	S	27	Very low	29.1	Very low	107 Å²	107	146.1 Å²	146.1	75%	0.748	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-80.2	148.1	-156.6	52.8	0	0	0	0	117.9
62	A	29.2	Very low	28.9	Very low	76 Å²	76	143.5 Å²	143.5	63%	0.628	77%	0.772	S	S	*	*			trans	69.1	143.6	162	0	0	0	0	0	117
63	Y	29.9	Very low	29	Very low	210 Å²	210	152.1 Å²	152.1	82%	0.824	78%	0.784	S	S	*	*			cis	-149.6	151.3	34.1	-91.3	-94.4	0	0	0	114.6
64	T	30.5	Very low	28.9	Very low	130 Å²	130	146.3 Å²	146.3	80%	0.798	77%	0.773	S	S	*	*			trans	52.4	120.3	151.1	51.6	0	0	0	0	122.1
65	C	25	Very low	28.8	Very low	118 Å²	118	148.3 Å²	148.3	80%	0.797	77%	0.774	S	S	*	*			trans	-97.4	171.1	149.1	-157.4	0	0	0	0	109.4
66	P	40.2	Very low	29	Very low	101 Å²	101	146.6 Å²	146.6	66%	0.656	77%	0.774	S	S	*	*				-155.2	-177.4	89.3	43	-24.3	0	0	0	117.8
67	D	29.3	Very low	29.1	Very low	153 Å²	153	141.8 Å²	141.8	82%	0.818	77%	0.771	S	S	*	*			trans	95.2	162	150.3	-66.3	-28.8	0	0	0	121.9
68	F	27.7	Very low	29.1	Very low	196 Å²	196	143.6 Å²	143.6	86%	0.86	78%	0.784	S	S	*	*			trans	-140.8	-174.8	-137	-138.1	-102.3	0	0	0	113
69	E	30.1	Very low	29.7	Very low	128 Å²	128	142.6 Å²	142.6	60%	0.598	78%	0.778	S	S	*	*			trans	89.9	94	165.7	-63.5	-94.7	112.2	0	0	120.4
70	R	26.8	Very low	29.9	Very low	176 Å²	176	142.7 Å²	142.7	66%	0.664	78%	0.781	S	S	*	*				63.4	110.4	101.1	-167.8	-162.4	-144.8	157.6	6	120.1
71	F	29.8	Very low	29.9	Very low	189 Å²	189	141.2 Å²	141.2	83%	0.829	78%	0.779	S	S	*	*				-177.3	171.6	110.2	-107.1	-71.4	0	0	0	112.8
72	S	26	Very low	30.2	Very low	104 Å²	104	145.5 Å²	145.5	73%	0.727	78%	0.784	S	S	*	*			trans	-128.2	147.2	-162.8	-31.1	0	0	0	0	114.2
73	R	28.7	Very low	30.3	Very low	248 Å²	248	147.5 Å²	147.5	94%	0.936	79%	0.788	S	S	*	*				172.7	137.8	123.6	-97.9	171.7	-179.2	-167	0.2	116.7
74	A	29.3	Very low	30.1	Very low	79 Å²	79	145.1 Å²	145.1	65%	0.653	79%	0.789	S	S	*	*			trans	71.5	106.6	135.7	0	0	0	0	0	123
75	F	25.1	Very low	30.1	Very low	201 Å²	201	150.9 Å²	150.9	88%	0.882	80%	0.796	S	S	*	*			trans	47	131.5	131.7	-60	-72.5	0	0	0	122.8
76	P	32.8	Very low	30.5	Very low	131 Å²	131	152 Å²	152	85%	0.851	80%	0.795	S	S	*	*			trans	-125.8	163.1	134.3	38.1	-29.2	0	0	0	113.6
77	G	27.6	Very low	30.1	Very low	74 Å²	74	155.7 Å²	155.7	76%	0.763	80%	0.803	S	S	*	*			trans	-111	174.4	170.2	0	0	0	0	0	113
78	S	28.6	Very low	30.2	Very low	125 Å²	125	159.4 Å²	159.4	87%	0.874	81%	0.805	S	S	*	*			trans	-88.8	-167.8	-161.1	-39.3	0	0	0	0	115
79	P	44.1	Very low	30.5	Very low	116 Å²	116	155.9 Å²	155.9	75%	0.753	80%	0.8	S	S	*	*				-116.3	-170.2	-120.1	35.5	-14.2	0	0	0	114.2
80	P	33.4	Very low	30.5	Very low	128 Å²	128	155.3 Å²	155.3	83%	0.831	81%	0.805	S	S	*	*				-153.7	176.3	108	39.3	-21.2	0	0	0	117
81	M	26.9	Very low	30.8	Very low	175 Å²	175	155 Å²	155	86%	0.862	82%	0.816	S	S	*	*			trans	-77.5	158.6	176	-66.2	171.8	60.4	0	0	115.3
82	K	32.6	Very low	30.9	Very low	197 Å²	197	152.3 Å²	152.3	86%	0.857	81%	0.81	S	S	*	*			trans	-165.8	119.5	145.9	-111.9	159.8	-171.9	173	0	116.9
83	T	30.9	Very low	31.3	Very low	118 Å²	118	154.9 Å²	154.9	72%	0.724	81%	0.808	S	S	*	*			trans	43.4	116.5	139	58	0	0	0	0	123.7
84	L	26	Very low	31.5	Very low	161 Å²	161	147.3 Å²	147.3	84%	0.843	79%	0.786	S	S	*	*				36.3	124.8	128.7	-75.4	165.7	0	0	0	122.2
85	R	30.9	Very low	31.7	Very low	251 Å²	251	150.5 Å²	150.5	95%	0.947	79%	0.788	S	S	*	*			trans	-161.4	167.7	135.2	-117.2	173	-173.3	172	3.4	114.3
86	N	34.2	Very low	32	Very low	142 Å²	142	145.8 Å²	145.8	76%	0.759	78%	0.779	S	S	*	*			trans	-105.5	147.2	-162.7	-69.2	-26	0	0	0	115.9
87	H	31.5	Very low	32	Very low	178 Å²	178	145.8 Å²	145.8	82%	0.824	78%	0.777	S	S	*	*			trans	23.6	145.5	144.9	-74.4	-68.9	0	0	0	124.9
88	R	31.4	Very low	32	Very low	231 Å²	231	150.6 Å²	150.6	87%	0.872	78%	0.78	S	S	*	*			trans	78.5	148.7	149.6	-85.2	-174.5	160.9	160.8	-4.8	117.5
89	T	33.2	Very low	32.5	Very low	121 Å²	121	154 Å²	154	74%	0.742	78%	0.782	S	S	*	*			cis	-144.4	165.3	9.8	-20.8	0	0	0	0	113.7
90	T	30.3	Very low	31.7	Very low	117 Å²	117	153.5 Å²	153.5	72%	0.718	78%	0.781	S	S	*	*			trans	-71.8	164.7	175.7	51	0	0	0	0	116.1
91	L	33	Very low	31.8	Very low	168 Å²	168	153.7 Å²	153.7	88%	0.88	78%	0.78	S	S	*	*			trans	-140.1	164.9	157	-114.7	175	0	0	0	113.2
92	N	31.8	Very low	32	Very low	134 Å²	134	151.5 Å²	151.5	72%	0.717	78%	0.776	S	S	*	*			trans	-142.3	171.2	-171.6	-70.6	-97.4	0	0	0	108.9
93	K	35.8	Very low	32.1	Very low	158 Å²	158	147.4 Å²	147.4	69%	0.687	77%	0.772	S	S	*	*			cis	-142.6	-150.4	5.3	-144.2	-179.9	163.7	-119.9	0	105.5	E95	K93-E95 IonicContact NZ-OE1 3.5Å; K93-E95 PolarHBondContact NZ-OE1 3.33Å
94	N	32.8	Very low	32.3	Very low	89 Å²	89	146.5 Å²	146.5	48%	0.476	77%	0.771	S	S	.	*			cis	-165.2	154.1	5.2	-147	-0.7	0	0	0	115.1
95	E	32.6	Very low	32.7	Very low	146 Å²	146	150.5 Å²	150.5	68%	0.682	78%	0.775	S	S	*	*			trans	52.4	162.2	145.7	-83.8	145.2	-140.8	0	0	119.6	K93	K93-E95 IonicContact NZ-OE1 3.5Å; K93-E95 PolarHBondContact NZ-OE1 3.33Å
96	S	31.9	Very low	32.8	Very low	101 Å²	101	143.2 Å²	143.2	71%	0.706	76%	0.763	S	S	*	*			cis	-157.7	174.8	8.4	-159	0	0	0	0	113.6
97	T	32.9	Very low	33.2	Very low	132 Å²	132	142.8 Å²	142.8	81%	0.81	77%	0.765	S	S	*	*			trans	93.5	156.7	152.1	-12.3	0	0	0	0	120.2
98	Q	28.3	Very low	33.2	Very low	174 Å²	174	141.3 Å²	141.3	81%	0.813	76%	0.763	S	S	*	*			trans	-106.1	161.1	-162.9	-53.9	166.1	-11	0	0	112.6
99	H	37.4	Very low	33.2	Very low	198 Å²	198	134.3 Å²	134.3	92%	0.917	76%	0.763	S	S	*	*			trans	-166.9	162	131.2	-105.6	-69.1	0	0	0	111.2
100	S	28.4	Very low	33.1	Very low	104 Å²	104	133.6 Å²	133.6	73%	0.727	76%	0.763	S	S	*	*			trans	-144.1	141.5	-171.4	57.1	0	0	0	0	112.3
101	T	34.1	Very low	33.1	Very low	133 Å²	133	137.8 Å²	137.8	82%	0.816	77%	0.771	S	S	*	*			trans	-169.6	130.2	154.4	22.2	0	0	0	0	113
102	T	32	Very low	33	Very low	128 Å²	128	134.1 Å²	134.1	79%	0.785	76%	0.76	S	S	*	*			trans	28.2	137.4	141.2	61	0	0	0	0	120.5
103	S	34	Very low	33.1	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	76%	0.764	S	S	*	*				179.9	174.5	61	-174.4	0	0	0	0	111.6
104	S	35.5	Very low	33.1	Very low	99 Å²	99	132.3 Å²	132.3	69%	0.692	76%	0.761	S	S	*	*				-176.7	132.4	-72.7	57.2	0	0	0	0	112.9
105	R	35.3	Very low	33	Very low	245 Å²	245	137 Å²	137	93%	0.925	78%	0.781	S	S	*	*			trans	-179.9	119.1	150.6	-105.2	173.3	158	152.7	-4.9	107.9
106	S	33.3	Very low	33	Very low	99 Å²	99	135.5 Å²	135.5	69%	0.692	79%	0.786	S	S	*	*				81.8	137.3	55.1	-163.5	0	0	0	0	111.5
107	V	41.3	Very low	32.8	Very low	132 Å²	132	139.2 Å²	139.2	80%	0.8	80%	0.797	S	S	*	*			cis	-136.2	167.8	22.5	-144	0	0	0	0	113
108	D	31.3	Very low	32.5	Very low	147 Å²	147	138 Å²	138	79%	0.786	79%	0.794	S	S	*	*			trans	-80.4	167.6	-172.5	-48.7	-98.6	0	0	0	116.4
109	G	33	Very low	33.1	Very low	85 Å²	85	134.9 Å²	134.9	88%	0.876	79%	0.789	S	S	*	*			trans	-168.2	83.4	165.2	0	0	0	0	0	111.4
110	S	29.5	Very low	32.6	Very low	105 Å²	105	133 Å²	133	73%	0.734	79%	0.785	S	S	*	*			trans	-132.5	144	-174.5	61.9	0	0	0	0	113.4
111	F	31.4	Very low	32.7	Very low	205 Å²	205	138.2 Å²	138.2	90%	0.899	79%	0.794	S	S	*	*			trans	-148.3	146	159.8	-127.8	-89.5	0	0	0	110.5
112	S	30.9	Very low	32.5	Very low	91 Å²	91	137 Å²	137	64%	0.636	79%	0.791	S	S	*	*			trans	-43	138.2	-174.1	-57.3	0	0	0	0	116.1
113	I	33.1	Very low	33.1	Very low	159 Å²	159	136 Å²	136	82%	0.815	79%	0.787	S	S	*	*				68.7	135.3	61	-65.3	169.3	0	0	0	111.2
114	P	36.6	Very low	33.4	Very low	96 Å²	96	136.8 Å²	136.8	62%	0.623	79%	0.789	S	S	*	*			cis	-129.2	163.7	19.2	26.8	-4.1	0	0	0	118.3
115	E	29.8	Very low	33.1	Very low	188 Å²	188	138.3 Å²	138.3	88%	0.879	79%	0.794	S	S	*	*			trans	47.1	140.2	139.1	-60.2	172.5	140.8	0	0	121.6
116	S	33.6	Very low	32.9	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	79%	0.792	S	S	*	*			cis	-140.3	156	16.8	56.2	0	0	0	0	112.7
117	L	27.5	Very low	33.5	Very low	178 Å²	178	138.2 Å²	138.2	93%	0.932	79%	0.793	S	S	*	*			trans	-136.7	151.9	178.2	-86.4	172.8	0	0	0	111.8
118	S	27.2	Very low	33.4	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	79%	0.789	S	S	*	*			trans	-155.2	169.8	171.1	71.2	0	0	0	0	108.4
119	P	40.7	Very low	33.4	Very low	107 Å²	107	140.1 Å²	140.1	70%	0.695	80%	0.795	S	S	*	*			cis	-127.7	-166	-4.7	36.2	-17	0	0	0	112.5
120	L	27.1	Very low	34	Very low	160 Å²	160	141.8 Å²	141.8	84%	0.838	79%	0.791	S	S	*	*			trans	137.5	94.8	141	-74.2	169	0	0	0	115.4
121	K	29.6	Very low	34.1	Very low	212 Å²	212	147.8 Å²	147.8	92%	0.922	80%	0.797	S	S	*	*				175.8	148.3	119.6	-99	174.3	179.1	177.5	0	112.7
122	S	29.4	Very low	34	Very low	109 Å²	109	145 Å²	145	76%	0.762	79%	0.791	S	S	*	*			trans	-165.1	179	174.2	69.8	0	0	0	0	109
123	P	45.8	Very low	34	Very low	106 Å²	106	148.9 Å²	148.9	69%	0.688	80%	0.803	S	S	*	*			cis	-113.1	-146.7	-35.9	29.6	-10.1	0	0	0	109.4
124	P	39.6	Very low	33.7	Very low	127 Å²	127	145.9 Å²	145.9	83%	0.825	80%	0.797	S	S	*	*				-143.7	175	98	38.2	-23.1	0	0	0	115.4
125	T	30	Very low	33.5	Very low	131 Å²	131	149.5 Å²	149.5	80%	0.804	81%	0.81	S	S	*	*			trans	-98.9	156.9	-170.4	48.1	0	0	0	0	114.9
126	R	30	Very low	33.5	Very low	232 Å²	232	145.1 Å²	145.1	88%	0.875	80%	0.8	S	S	*	*			trans	-162.5	121.6	155.2	-149.5	178.4	-165.5	-129.8	1.4	115.5
127	P	47	Very low	33.4	Very low	110 Å²	110	149.8 Å²	149.8	71%	0.714	81%	0.806	S	S	*	*			trans	-95.7	162.4	157.9	37.4	-32.3	0	0	0	111.2
128	P	38.9	Very low	33.3	Very low	110 Å²	110	146.9 Å²	146.9	71%	0.714	80%	0.8	S	S	*	*				-159.9	140.8	98.2	38.1	-17.5	0	0	0	119.1
129	K	30.5	Very low	33.3	Very low	210 Å²	210	146 Å²	146	91%	0.913	80%	0.799	S	S	*	*			trans	49.8	159.4	140.5	-76.7	-169.1	174.7	-177.1	0	123.4
130	P	45.7	Very low	32.7	Very low	120 Å²	120	147.4 Å²	147.4	78%	0.779	81%	0.806	S	S	*	*			trans	-116.7	-174.5	-154.8	44.3	-35.1	0	0	0	115.9
131	R	31.1	Very low	32.6	Very low	230 Å²	230	147.9 Å²	147.9	87%	0.868	81%	0.809	S	S	*	*			trans	-146.8	128.6	163.5	-101.6	-178.9	179.7	157.8	1	114.6
132	N	28.9	Very low	32.4	Very low	146 Å²	146	147 Å²	147	78%	0.781	81%	0.808	S	S	*	*			trans	28.1	120.5	142.8	-50.9	1.5	0	0	0	121.1
133	I	32.2	Very low	32.2	Very low	173 Å²	173	149.7 Å²	149.7	89%	0.887	81%	0.808	S	S	*	*				-132.6	145.9	111	-61.9	-172.5	0	0	0	107.5
134	S	27.5	Very low	31.3	Very low	97 Å²	97	149.2 Å²	149.2	68%	0.678	80%	0.803	S	S	*	*			trans	-101.9	146.2	179	55	0	0	0	0	112.6
135	L	31.9	Very low	30.7	Very low	171 Å²	171	152.5 Å²	152.5	90%	0.895	81%	0.805	S	S	*	*				-172.4	-177.8	124.9	-100.6	163.1	0	0	0	111.2
136	S	29.7	Very low	30.7	Very low	97 Å²	97	151.9 Å²	151.9	68%	0.678	80%	0.796	S	S	*	*			trans	-131.2	169.5	-150.6	61.8	0	0	0	0	116
137	K	30.3	Very low	30.6	Very low	211 Å²	211	150.2 Å²	150.2	92%	0.917	80%	0.795	S	S	*	*			trans	82.3	167.8	161.6	-78.4	-174.7	171.4	-175.2	0	118.1
138	S	26	Very low	29.8	Very low	117 Å²	117	149.5 Å²	149.5	82%	0.818	79%	0.79	S	S	*	*			trans	-126.5	169.1	-153.1	-172.1	0	0	0	0	111.4
139	A	27	Very low	29.3	Very low	89 Å²	89	151.5 Å²	151.5	74%	0.736	79%	0.793	S	S	*	*			trans	64.3	120.8	171.4	0	0	0	0	0	117.3
140	V	27.6	Very low	29.2	Very low	138 Å²	138	147 Å²	147	84%	0.836	79%	0.788	S	S	*	*				-163	145.5	113	141	0	0	0	0	108.3
141	L	24.9	Very low	28.4	Very low	170 Å²	170	146 Å²	146	89%	0.89	78%	0.784	S	S	*	*			trans	-80.5	121.9	166.4	-87.5	159.4	0	0	0	109.5
142	E	26.4	Very low	28.2	Very low	192 Å²	192	144.5 Å²	144.5	90%	0.897	78%	0.783	S	S	*	*			trans	-145.7	139.6	143.7	-159	170.3	-136.6	0	0	108.8
143	E	25.5	Very low	28.2	Very low	167 Å²	167	145.9 Å²	145.9	78%	0.78	79%	0.789	S	S	*	*			trans	-126.6	168.2	-168.7	-156.4	-163.4	-150.2	0	0	110.8
144	V	27	Very low	27.9	Very low	95 Å²	95	142 Å²	142	58%	0.576	78%	0.782	S	S	*	*			trans	75.7	105.9	161.5	-175	0	0	0	0	117.7	L146	V144-L146 HydrophobicContact CG1-CD2 3.8Å; V144-L146 HydrophobicContact CG1-CG 3.68Å
145	K	27.4	Very low	27.8	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.857	79%	0.787	S	S	*	*				-137.4	92.2	123.6	-134	161	-171.5	165.6	0	109.5
146	L	28.5	Very low	27.5	Very low	118 Å²	118	141.7 Å²	141.7	62%	0.618	78%	0.782	S	S	*	*				63.8	131.4	105.1	-65.7	178	0	0	0	114	V144	V144-L146 HydrophobicContact CG1-CD2 3.8Å; V144-L146 HydrophobicContact CG1-CG 3.68Å
147	K	28.3	Very low	27.4	Very low	196 Å²	196	143.2 Å²	143.2	85%	0.852	78%	0.783	S	S	*	*			cis	-139.8	167.1	28.9	-84.9	-163.2	172.2	-174.2	0	116
148	P	31.4	Very low	27.2	Very low	95 Å²	95	139 Å²	139	62%	0.617	77%	0.774	S	S	*	*			trans	-129.3	-148	-168.2	32.1	-6.5	0	0	0	112.9
149	I	27.3	Very low	27.2	Very low	153 Å²	153	138.5 Å²	138.5	79%	0.785	77%	0.771	S	S	*	*			trans	86.9	137.7	163.5	-58	156.6	0	0	0	114
150	S	29.4	Very low	27.3	Very low	114 Å²	114	138.8 Å²	138.8	80%	0.797	77%	0.767	S	S	*	*			cis	-143	-174.8	12.3	-150.3	0	0	0	0	114.3
151	S	28	Very low	27.5	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	77%	0.77	S	S	*	*			trans	-123.2	164.2	176.1	66	0	0	0	0	114
152	K	26.9	Very low	27.8	Very low	199 Å²	199	135.4 Å²	135.4	87%	0.865	76%	0.76	S	S	*	*			trans	65.1	123.1	168.5	-77.7	-175.8	173.1	178.9	0	118.7
153	I	28.9	Very low	27.9	Very low	176 Å²	176	133 Å²	133	90%	0.903	76%	0.758	S	S	*	*				-172.4	167.8	111.7	-95.1	161.9	0	0	0	108.3
154	A	25.6	Very low	28.2	Very low	90 Å²	90	131.4 Å²	131.4	74%	0.744	76%	0.76	S	S	*	*			trans	-107.6	178.5	-172.5	0	0	0	0	0	113.7
155	A	25.6	Very low	28.1	Very low	93 Å²	93	134 Å²	134	77%	0.769	77%	0.766	S	S	*	*			trans	89.5	132	160.1	0	0	0	0	0	119.9
156	E	26.1	Very low	28.5	Very low	169 Å²	169	130 Å²	130	79%	0.79	76%	0.76	S	S	*	*			trans	68.4	113.7	144.6	-67.4	-170.2	166.9	0	0	123.5
157	N	26.5	Very low	28.3	Very low	130 Å²	130	129.6 Å²	129.6	70%	0.695	76%	0.763	S	S	*	*				71.9	119	119.3	-60.2	-21.5	0	0	0	122.7
158	T	26.8	Very low	28.3	Very low	121 Å²	121	132 Å²	132	74%	0.742	77%	0.766	S	S	*	*			trans	72.6	90.4	132.2	-48.7	0	0	0	0	119.9
159	S	27	Very low	28	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	78%	0.776	S	S	*	*				45.8	160.6	103.7	-152.1	0	0	0	0	122.7
160	C	29	Very low	28.2	Very low	96 Å²	96	132.4 Å²	132.4	65%	0.649	77%	0.77	S	S	*	*			trans	84.9	116.2	159.7	-58.6	0	0	0	0	119.5
161	N	31.1	Very low	28.2	Very low	171 Å²	171	130.5 Å²	130.5	91%	0.914	76%	0.757	S	S	*	*				161.4	142.4	116.4	-79.7	-36.8	0	0	0	110
162	G	30.6	Very low	28.3	Very low	66 Å²	66	135.7 Å²	135.7	68%	0.68	76%	0.763	S	S	*	*			cis	-167.5	160.7	-6.5	0	0	0	0	0	107.5
163	V	28.6	Very low	28.4	Very low	140 Å²	140	131.9 Å²	131.9	85%	0.848	76%	0.761	S	S	*	*				167.6	133.4	87.8	162.1	0	0	0	0	103
164	T	31.6	Very low	28.4	Very low	134 Å²	134	130.4 Å²	130.4	82%	0.822	75%	0.754	S	S	*	*			cis	-160.1	161.9	49.9	-22.2	0	0	0	0	110.4
165	E	26.4	Very low	28.7	Very low	150 Å²	150	132.7 Å²	132.7	70%	0.701	76%	0.759	S	S	*	*			trans	-107.8	-179.6	164.9	-122.2	-151.4	-118.8	0	0	109.9	V167	E165-V167 WeakPolarHBondContact OE2-CG2 3.46Å; E165-V167 PolarHBondContact OE2-N 2.85Å
166	P	35.9	Very low	28.9	Very low	112 Å²	112	135.2 Å²	135.2	73%	0.727	76%	0.759	S	S	*	*			cis	-145.9	168.6	29.8	43.2	-22.3	0	0	0	121.2
167	V	24.1	Very low	29.2	Very low	111 Å²	111	134.1 Å²	134.1	67%	0.673	76%	0.764	S	S	*	*			trans	20.8	130.6	146.7	-175.9	0	0	0	0	121.3	E165	E165-V167 WeakPolarHBondContact OE2-CG2 3.46Å; E165-V167 PolarHBondContact OE2-N 2.85Å
168	R	28.2	Very low	29.3	Very low	246 Å²	246	131 Å²	131	93%	0.928	76%	0.763	S	S	*	*			trans	-147.7	146.3	145.1	-117.2	-177.7	-173.4	178.7	3.3	112.8
169	I	25.1	Very low	29.5	Very low	160 Å²	160	133 Å²	133	82%	0.821	77%	0.769	S	S	*	*			trans	-138.4	141	176	-65.5	173.8	0	0	0	108.5
170	S	29.8	Very low	29.7	Very low	96 Å²	96	133 Å²	133	67%	0.671	77%	0.769	S	S	*	*			trans	156.3	132.1	131.4	-165	0	0	0	0	113.8
171	S	29.4	Very low	30	Very low	74 Å²	74	133.6 Å²	133.6	52%	0.517	77%	0.77	S	S	.	*			trans	44.1	138.1	139.4	69.2	0	0	0	0	121.2
172	Y	30.7	Very low	29.9	Very low	209 Å²	209	131.9 Å²	131.9	82%	0.82	76%	0.76	S	S	*	*			cis	-145.6	154.8	24.8	-73.1	-87.8	0	0	0	110.2
173	S	29.2	Very low	29.9	Very low	118 Å²	118	136.4 Å²	136.4	83%	0.825	77%	0.769	S	S	*	*				-164.4	149.4	85.9	-65.7	0	0	0	0	112.2
174	I	28.8	Very low	29.9	Very low	145 Å²	145	138 Å²	138	74%	0.744	77%	0.767	S	S	*	*			trans	-138.1	134.9	-179.7	-65.3	173.8	0	0	0	109.6
175	T	32.9	Very low	30.3	Very low	139 Å²	139	136.1 Å²	136.1	85%	0.853	76%	0.757	S	S	*	*			trans	-136.1	117	153.8	48.7	0	0	0	0	109.5
176	N	28.8	Very low	30.3	Very low	145 Å²	145	134 Å²	134	78%	0.775	76%	0.759	S	S	*	*			trans	-66.4	163.9	164.7	-76.3	-28.6	0	0	0	109.5
177	V	32.1	Very low	29.9	Very low	146 Å²	146	136 Å²	136	89%	0.885	76%	0.762	S	S	*	*			cis	-156.8	143.4	49.7	173.5	0	0	0	0	111
178	G	28.5	Very low	30.1	Very low	65 Å²	65	136.4 Å²	136.4	67%	0.67	77%	0.765	S	S	*	*			trans	155.1	90.4	158.3	0	0	0	0	0	119.1
179	N	31.9	Very low	30.1	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	76%	0.759	S	S	*	*			trans	60.4	90.4	145.9	-59.3	-3.2	0	0	0	122.6
180	S	31.4	Very low	30.5	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	75%	0.751	S	S	*	*				47.3	102.6	125.2	-109.5	0	0	0	0	123.9
181	T	34.5	Very low	30.6	Very low	107 Å²	107	134.1 Å²	134.1	66%	0.656	76%	0.76	S	S	*	*				43.3	113.5	113.2	61.8	0	0	0	0	122
182	D	28.6	Very low	30.8	Very low	135 Å²	135	134 Å²	134	72%	0.722	77%	0.771	S	S	*	*				43.7	121.2	121.9	-43.8	-44.1	0	0	0	121.7
183	N	31.3	Very low	31	Very low	162 Å²	162	129.8 Å²	129.8	87%	0.866	77%	0.771	S	S	*	*				176.1	164.7	105.5	-96.7	-72.4	0	0	0	114.3
184	Q	29.8	Very low	31.2	Very low	173 Å²	173	129.2 Å²	129.2	81%	0.808	77%	0.767	S	S	*	*			trans	-127.9	170.1	167.9	-89.4	-136.8	10.1	0	0	109.3
185	P	38.2	Very low	31.5	Very low	94 Å²	94	129.3 Å²	129.3	61%	0.61	77%	0.769	S	S	*	*			cis	-138.3	-178.8	-35.2	34.9	-16.8	0	0	0	114.4
186	S	26.1	Very low	31.4	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	76%	0.761	S	S	*	*			trans	99	155.7	149.5	-42.9	0	0	0	0	121.3
187	I	28	Very low	31.6	Very low	155 Å²	155	125.6 Å²	125.6	80%	0.795	75%	0.749	S	S	*	*			trans	96.6	103.2	157.4	-65.3	177.9	0	0	0	119.5
188	V	28.8	Very low	31.6	Very low	119 Å²	119	124.4 Å²	124.4	72%	0.721	74%	0.743	S	S	*	*			trans	74	111.1	141.5	169.9	0	0	0	0	119.3
189	K	28.7	Very low	31.7	Very low	187 Å²	187	126.8 Å²	126.8	81%	0.813	75%	0.745	S	S	*	*				79.6	135	82.4	-130.7	176.4	-173.2	175.1	0	112.1
190	V	33.1	Very low	31.7	Very low	107 Å²	107	123.6 Å²	123.6	65%	0.648	73%	0.731	S	S	*	*				-173.8	136.8	69.8	164.4	0	0	0	0	111.6
191	N	31.2	Very low	31.6	Very low	159 Å²	159	128.5 Å²	128.5	85%	0.85	73%	0.733	S	S	*	*			trans	50.4	153.9	157.1	-55.3	-5.8	0	0	0	121.1
192	G	33.6	Very low	31.4	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	74%	0.735	S	S	*	*			cis	-168.2	-178.1	-1.3	0	0	0	0	0	110.2
193	S	36	Very low	31.3	Very low	119 Å²	119	128.1 Å²	128.1	83%	0.832	74%	0.735	S	S	*	*			cis	-161.5	175.6	15	61.6	0	0	0	0	112.8
194	S	33.8	Very low	31	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	73%	0.732	S	S	*	*			trans	79.6	151.3	168.4	-154.5	0	0	0	0	116.2
195	L	34.1	Very low	31.4	Very low	148 Å²	148	124 Å²	124	78%	0.775	73%	0.729	S	S	*	*			cis	-166.1	151	-35.6	-96.6	-172.3	0	0	0	105.2
196	N	32	Very low	30.6	Very low	129 Å²	129	125.4 Å²	125.4	69%	0.69	74%	0.736	S	S	*	*			cis	-162.2	169.1	-12.7	-161.1	13.2	0	0	0	111.1
197	S	31.4	Very low	30.5	Very low	76 Å²	76	126 Å²	126	53%	0.531	74%	0.735	S	S	.	*			trans	38.7	134.8	140.3	66	0	0	0	0	123.2
198	T	32	Very low	30.4	Very low	121 Å²	121	125.6 Å²	125.6	74%	0.742	73%	0.733	S	S	*	*			cis	-174.8	154	-1.8	16.3	0	0	0	0	112.4
199	T	31.8	Very low	30.3	Very low	116 Å²	116	126.3 Å²	126.3	71%	0.712	73%	0.732	S	S	*	*			trans	71.5	132.8	135.2	-65.3	0	0	0	0	120.9
200	T	31	Very low	30.1	Very low	95 Å²	95	125 Å²	125	58%	0.583	73%	0.733	S	S	*	*			cis	-172.9	149.1	-16.1	37.3	0	0	0	0	112.4
201	R	30.3	Very low	30	Very low	212 Å²	212	124.6 Å²	124.6	80%	0.8	74%	0.742	S	S	*	*			trans	67.5	152.9	136.1	-69.2	169.5	-178.9	-175.3	-0.2	120
202	N	28.9	Very low	29.7	Very low	132 Å²	132	120.3 Å²	120.3	71%	0.706	74%	0.735	S	S	*	*			cis	-166.2	148.3	-16.6	-114.3	14.6	0	0	0	113.6
203	S	27.6	Very low	29.8	Very low	102 Å²	102	122.7 Å²	122.7	71%	0.713	74%	0.737	S	S	*	*			trans	69.3	163.1	135.4	-55.8	0	0	0	0	122.9
204	T	24.5	Very low	29.6	Very low	133 Å²	133	124.9 Å²	124.9	82%	0.816	73%	0.734	S	S	*	*			trans	-134	-166.8	-166.8	53.2	0	0	0	0	110.1
205	P	37.9	Very low	29.3	Very low	114 Å²	114	126.9 Å²	126.9	74%	0.74	73%	0.732	S	S	*	*				-127.1	-162.9	-51.7	28.7	-6.8	0	0	0	113.6
206	V	22.3	Very low	29	Very low	124 Å²	124	125.8 Å²	125.8	75%	0.752	73%	0.732	S	S	*	*			trans	103.1	101.1	156.4	-170.1	0	0	0	0	121.2
207	T	22.6	Very low	28.8	Very low	118 Å²	118	124.2 Å²	124.2	72%	0.724	73%	0.73	S	S	*	*				43.6	135.4	129.1	-35.6	0	0	0	0	125.2
208	I	26.6	Very low	28.7	Very low	148 Å²	148	130 Å²	130	76%	0.759	75%	0.746	S	S	*	*				165.6	110	125.1	-83	166.9	0	0	0	116.7
209	I	26.3	Very low	28.4	Very low	133 Å²	133	131.7 Å²	131.7	68%	0.682	75%	0.751	S	S	*	*				57.2	127.3	128.3	-53.3	176.4	0	0	0	126
210	N	26	Very low	28.7	Very low	159 Å²	159	131.7 Å²	131.7	85%	0.85	75%	0.753	S	S	*	*			trans	65.3	152.6	152.1	-69.7	-3.5	0	0	0	122.4
211	A	29.4	Very low	28.4	Very low	100 Å²	100	133 Å²	133	83%	0.826	76%	0.761	S	S	*	*			cis	-155.1	170.4	10.2	0	0	0	0	0	114.1
212	G	25.5	Very low	28.2	Very low	69 Å²	69	131 Å²	131	71%	0.711	76%	0.76	S	S	*	*			trans	-104.5	-174.7	171.3	0	0	0	0	0	114.8
213	P	36.1	Very low	27.9	Very low	122 Å²	122	130.1 Å²	130.1	79%	0.792	76%	0.763	S	S	*	*				-161.2	-172	79.8	44.5	-23.7	0	0	0	119.1
214	Q	31.4	Very low	27.9	Very low	165 Å²	165	133.1 Å²	133.1	77%	0.771	77%	0.77	S	S	*	*			trans	77.4	146.4	157.6	-74.7	-167	26.9	0	0	120.8
215	Q	27.5	Very low	27.8	Very low	149 Å²	149	130.9 Å²	130.9	70%	0.696	76%	0.76	S	S	*	*			cis	-169.7	169.9	-23.1	-133.8	-178.2	45.4	0	0	113.1
216	T	28.5	Very low	27.3	Very low	125 Å²	125	135.7 Å²	135.7	77%	0.767	77%	0.765	S	S	*	*			trans	76.6	166.5	167.6	74.4	0	0	0	0	120
217	S	26.6	Very low	27.4	Very low	95 Å²	95	134.4 Å²	134.4	66%	0.664	77%	0.767	S	S	*	*				-176.7	149.4	-75.9	55	0	0	0	0	114.2
218	K	30.6	Very low	27.4	Very low	197 Å²	197	134 Å²	134	86%	0.857	77%	0.769	S	S	*	*			trans	136.7	150.3	143.6	-75.9	165.4	-177.4	177.4	0	116.9
219	N	25.7	Very low	27.4	Very low	158 Å²	158	134.7 Å²	134.7	85%	0.845	77%	0.773	S	S	*	*			trans	-133.7	150.4	162.7	-102.6	-5.9	0	0	0	109.1
220	P	36.5	Very low	27.5	Very low	116 Å²	116	134.6 Å²	134.6	75%	0.753	78%	0.779	S	S	*	*			trans	-133.9	148.8	133.2	32.2	-18.1	0	0	0	111.2
221	V	25.4	Very low	27.6	Very low	123 Å²	123	132.6 Å²	132.6	75%	0.745	77%	0.774	S	S	*	*			cis	110.6	131.7	31.1	164.3	0	0	0	0	111.9
222	E	26.7	Very low	27.3	Very low	169 Å²	169	136 Å²	136	79%	0.79	78%	0.778	S	S	*	*			trans	84.3	116.8	164.9	-83.4	162.4	-151.3	0	0	123.4
223	C	23.2	Very low	27.3	Very low	114 Å²	114	143.8 Å²	143.8	77%	0.77	79%	0.787	S	S	*	*			trans	67.3	143.1	140.7	-64.5	0	0	0	0	120.8
224	L	26.4	Very low	26.8	Very low	164 Å²	164	143.1 Å²	143.1	86%	0.859	79%	0.786	S	S	*	*			cis	-133.8	176	14.8	-75.5	172.6	0	0	0	114.3
225	S	22.9	Very low	26.6	Very low	87 Å²	87	140.4 Å²	140.4	61%	0.608	79%	0.785	S	S	*	*			trans	-75.2	175.9	169.2	48.9	0	0	0	0	112.9
226	Y	26.3	Very low	26.7	Very low	214 Å²	214	141 Å²	141	84%	0.839	79%	0.793	S	S	*	*			cis	-137.2	143.3	20.6	-85.9	-97.3	0	0	0	109.6
227	A	26	Very low	26.7	Very low	97 Å²	97	144 Å²	144	80%	0.802	80%	0.795	S	S	*	*				95.4	151.2	64.7	0	0	0	0	0	114.2
228	S	22.4	Very low	26.8	Very low	110 Å²	110	147.6 Å²	147.6	77%	0.769	81%	0.807	S	S	*	*			trans	-110	150.9	-160.7	55.3	0	0	0	0	115
229	I	26.5	Very low	26.8	Very low	162 Å²	162	145.7 Å²	145.7	83%	0.831	80%	0.801	S	S	*	*			trans	-137.2	127.6	155.6	-59.2	-177.9	0	0	0	111
230	T	27.9	Very low	27	Very low	131 Å²	131	145.6 Å²	145.6	80%	0.804	79%	0.793	S	S	*	*			trans	-122.3	145.5	152.1	21.2	0	0	0	0	108.2
231	P	27.2	Very low	26.7	Very low	117 Å²	117	145.1 Å²	145.1	76%	0.76	79%	0.788	S	S	*	*			trans	-108.4	110.2	164.3	33.3	-23.9	0	0	0	111.3
232	L	23.4	Very low	26.8	Very low	171 Å²	171	145.2 Å²	145.2	90%	0.895	79%	0.789	S	S	*	*			trans	-74.4	141.7	158.2	-76	163.1	0	0	0	109.3
233	Y	25.1	Very low	27	Very low	233 Å²	233	144.6 Å²	144.6	91%	0.914	79%	0.787	S	S	*	*			trans	-94.9	99.5	164.4	-122.7	-92.2	0	0	0	109.8
234	S	26.3	Very low	27.4	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	78%	0.782	S	S	*	*			trans	-151.8	123.6	160.9	-170.9	0	0	0	0	110
235	S	27.3	Very low	27.5	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	77%	0.774	S	S	*	*			trans	-89.9	110.7	-178.9	-78.1	0	0	0	0	111
236	N	29.4	Very low	27.9	Very low	160 Å²	160	144.4 Å²	144.4	86%	0.856	78%	0.775	S	S	*	*			trans	-127.5	119.6	159.4	-116.6	-32.6	0	0	0	109.4
237	K	29.6	Very low	28.1	Very low	189 Å²	189	141.1 Å²	141.1	82%	0.822	77%	0.772	S	S	*	*			trans	-92.6	128.6	-179.3	-66.7	179.4	179.1	178.6	0	109.8
238	N	28.6	Very low	28.2	Very low	170 Å²	170	143 Å²	143	91%	0.909	77%	0.769	S	S	*	*			trans	-161.1	111.1	147.6	-94.8	-31.5	0	0	0	110.7
239	E	29.9	Very low	28.3	Very low	157 Å²	157	141.5 Å²	141.5	73%	0.734	76%	0.763	S	S	*	*			trans	-82.5	157.5	162.8	-72.9	-170.9	105.9	0	0	109.3
240	K	30.9	Very low	28.5	Very low	156 Å²	156	141.4 Å²	141.4	68%	0.678	76%	0.763	S	S	*	*			cis	-164	164	-1.9	-125.5	175	178	146.4	0	110.2
241	T	29.7	Very low	28.4	Very low	107 Å²	107	139.1 Å²	139.1	66%	0.656	75%	0.752	S	S	*	*			trans	46.6	108.9	151.3	51	0	0	0	0	119.1
242	T	28.1	Very low	28.6	Very low	125 Å²	125	139.8 Å²	139.8	77%	0.767	75%	0.749	S	S	*	*				68.4	147.4	83.9	65.1	0	0	0	0	113.9
243	E	30.1	Very low	28.8	Very low	156 Å²	156	138.6 Å²	138.6	73%	0.729	74%	0.744	S	S	*	*			cis	-149.3	162.9	31	-65.3	179.6	162.4	0	0	113.7
244	N	30.5	Very low	29.1	Very low	126 Å²	126	132.8 Å²	132.8	67%	0.674	73%	0.732	S	S	*	*			trans	63.5	146.5	145.6	-59.6	-8.5	0	0	0	120.1
245	D	28.9	Very low	29.4	Very low	130 Å²	130	136.3 Å²	136.3	70%	0.695	74%	0.736	S	S	*	*			cis	-165.8	165.1	-4.6	-123.9	-27.4	0	0	0	114.8
246	V	32.4	Very low	29.6	Very low	104 Å²	104	135.5 Å²	135.5	63%	0.63	73%	0.731	S	S	*	*			trans	66.2	114.2	140.9	167.6	0	0	0	0	123
247	N	30	Very low	29.7	Very low	146 Å²	146	136.5 Å²	136.5	78%	0.781	73%	0.73	S	S	*	*			trans	66.7	162.5	140.2	-70.3	-9.5	0	0	0	123.8
248	N	28.1	Very low	29.6	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	73%	0.725	S	S	*	*			cis	-173.5	140.2	-37.6	-165.8	9.8	0	0	0	111.7
249	A	24.9	Very low	29.6	Very low	77 Å²	77	129.2 Å²	129.2	64%	0.636	72%	0.715	S	S	*	*			trans	61.2	170.6	152.4	0	0	0	0	0	123.1
250	I	30.9	Very low	29.3	Very low	161 Å²	161	129.9 Å²	129.9	83%	0.826	72%	0.718	S	S	*	*			trans	79.1	135.3	167.7	-48.7	174.7	0	0	0	116.3
251	S	24.6	Very low	29.1	Very low	83 Å²	83	127.3 Å²	127.3	58%	0.58	72%	0.716	S	S	*	*				-178.2	-179.7	-55.5	59.3	0	0	0	0	109.2
252	N	31.2	Very low	28.8	Very low	130 Å²	130	128 Å²	128	70%	0.695	72%	0.72	S	S	*	*			trans	81	109.1	170.8	-42.3	-8.5	0	0	0	114.3
253	D	28.6	Very low	28.7	Very low	147 Å²	147	128.3 Å²	128.3	79%	0.786	72%	0.716	S	S	*	*				84.1	149.2	86.4	-65.5	-48.8	0	0	0	112.7
254	V	32	Very low	28.4	Very low	111 Å²	111	129.1 Å²	129.1	67%	0.673	72%	0.72	S	S	*	*			cis	-151.3	131.3	34	174.8	0	0	0	0	112
255	H	31	Very low	28.5	Very low	182 Å²	182	129 Å²	129	84%	0.843	73%	0.725	S	S	*	*			trans	65.6	158.4	156.1	-67.9	2	0	0	0	119.7
256	S	31.6	Very low	28.3	Very low	92 Å²	92	127.8 Å²	127.8	64%	0.643	73%	0.727	S	S	*	*			cis	-149.1	143	7.3	42.1	0	0	0	0	114
257	Q	31.7	Very low	28.2	Very low	180 Å²	180	131.8 Å²	131.8	84%	0.841	74%	0.739	S	S	*	*			trans	61.5	112	155.5	-64.5	169	-13.7	0	0	117.9
258	S	28.8	Very low	28	Very low	101 Å²	101	131.4 Å²	131.4	71%	0.706	74%	0.737	S	S	*	*				75.6	134	50.9	76.3	0	0	0	0	114.7
259	C	26.9	Very low	28	Very low	105 Å²	105	131.5 Å²	131.5	71%	0.709	74%	0.737	S	S	*	*			cis	-161	158.6	-8.8	-95.2	0	0	0	0	106.8
260	E	25.3	Very low	28.2	Very low	171 Å²	171	134.1 Å²	134.1	80%	0.799	74%	0.74	S	S	*	*				55.9	139.5	74.1	-110.8	-173.9	139.3	0	0	114.2
261	T	26.1	Very low	28	Very low	103 Å²	103	130.7 Å²	130.7	63%	0.632	73%	0.73	S	S	*	*			cis	-156.5	139.3	17.8	-54.8	0	0	0	0	107.6
262	T	23.3	Very low	28.3	Very low	120 Å²	120	135.3 Å²	135.3	74%	0.736	74%	0.743	S	S	*	*				69.2	145.2	72.7	-16.5	0	0	0	0	118
263	I	26.1	Very low	28	Very low	133 Å²	133	133.3 Å²	133.3	68%	0.682	74%	0.739	S	S	*	*			trans	84.5	102.9	158.8	-68	-179	0	0	0	119.1
264	Q	24	Very low	28	Very low	173 Å²	173	132.2 Å²	132.2	81%	0.808	74%	0.738	S	S	*	*				90.1	174.4	99.5	-76.3	-174.7	-6.3	0	0	115.2
265	P	32.4	Very low	27.8	Very low	123 Å²	123	135 Å²	135	80%	0.799	74%	0.743	S	S	*	*			cis	-131.3	-157.4	5.1	45.2	-26.8	0	0	0	116.1
266	S	25.4	Very low	27.8	Very low	105 Å²	105	131.6 Å²	131.6	73%	0.734	74%	0.74	S	S	*	*			trans	-106.6	-164	-176	52.5	0	0	0	0	114.4
267	E	29.4	Very low	27.6	Very low	187 Å²	187	133 Å²	133	87%	0.874	75%	0.745	S	S	*	*			trans	91.9	148.7	177.7	-59.6	176	-158.9	0	0	117.3
268	D	25.3	Very low	27.2	Very low	139 Å²	139	129.2 Å²	129.2	74%	0.743	74%	0.737	S	S	*	*			cis	-166.8	172.4	-37.4	-154.2	-8.4	0	0	0	111.3
269	L	29.1	Very low	27.3	Very low	138 Å²	138	131.8 Å²	131.8	72%	0.723	74%	0.743	S	S	*	*			trans	81.8	143.6	154.5	-65.3	169.3	0	0	0	124.6
270	N	28.4	Very low	27.5	Very low	132 Å²	132	131.7 Å²	131.7	71%	0.706	74%	0.744	S	S	*	*			trans	88	81.3	147.1	-73.7	-32.7	0	0	0	124.4
271	S	26.3	Very low	27.8	Very low	89 Å²	89	128.6 Å²	128.6	62%	0.622	74%	0.741	S	S	*	*				59.2	150.6	103.9	75.9	0	0	0	0	124.8
272	Q	30.9	Very low	28.2	Very low	180 Å²	180	131 Å²	131	84%	0.841	75%	0.748	S	S	*	*			trans	77.9	151.6	169.4	-53.7	-175.4	25.7	0	0	116.9
273	S	24.4	Very low	28.4	Very low	89 Å²	89	131.5 Å²	131.5	62%	0.622	75%	0.746	S	S	*	*			cis	169	-177.9	-46.7	60.5	0	0	0	0	108.4
274	T	30.6	Very low	28.7	Very low	124 Å²	124	133.1 Å²	133.1	76%	0.761	75%	0.751	S	S	*	*			trans	76.4	155.7	177.4	81	0	0	0	0	116.9
275	H	26.8	Very low	28.8	Very low	168 Å²	168	133.7 Å²	133.7	78%	0.778	75%	0.753	S	S	*	*			cis	-170.6	127.1	-41.1	-110.6	-66.4	0	0	0	111.5
276	S	30.6	Very low	28.6	Very low	111 Å²	111	133.8 Å²	133.8	78%	0.776	76%	0.756	S	S	*	*			trans	172.3	137.1	147.8	50.3	0	0	0	0	110.4
277	T	27.3	Very low	28.8	Very low	121 Å²	121	135.2 Å²	135.2	74%	0.742	76%	0.76	S	S	*	*			cis	86.6	122.2	25.8	-54	0	0	0	0	113.3
278	C	24.7	Very low	28.7	Very low	101 Å²	101	134.1 Å²	134.1	68%	0.682	76%	0.759	S	S	*	*			cis	-169.3	-176.4	-8.3	-106.6	0	0	0	0	111.2
279	N	29.6	Very low	29	Very low	155 Å²	155	132.8 Å²	132.8	83%	0.829	76%	0.758	S	S	*	*			trans	81.2	151.3	164.4	-50.3	-27.6	0	0	0	116.8
280	S	31.6	Very low	28.9	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	77%	0.767	S	S	*	*			cis	177.3	161.5	-9.7	47.2	0	0	0	0	108.4
281	S	31.8	Very low	29.1	Very low	106 Å²	106	133 Å²	133	74%	0.741	77%	0.768	S	S	*	*			cis	-177.5	-164.5	-14.5	-79.7	0	0	0	0	107.7
282	I	33.3	Very low	29.3	Very low	153 Å²	153	133.1 Å²	133.1	79%	0.785	77%	0.769	S	S	*	*			trans	79.2	105.8	170.3	-55.9	173.4	0	0	0	113.9
283	D	28.5	Very low	29.2	Very low	130 Å²	130	132 Å²	132	70%	0.695	77%	0.769	S	S	*	*				79	139	75.3	-80.2	-57.4	0	0	0	114.2
284	H	33	Very low	29.5	Very low	168 Å²	168	134.8 Å²	134.8	78%	0.778	78%	0.775	S	S	*	*			cis	-144	177.7	15.4	-89	-37.1	0	0	0	114
285	Q	26	Very low	29.5	Very low	185 Å²	185	136.5 Å²	136.5	86%	0.864	78%	0.775	S	S	*	*			trans	-63.4	156.4	-173.6	-60.3	157.4	-45.4	0	0	118.3
286	C	27.7	Very low	29.4	Very low	125 Å²	125	135.4 Å²	135.4	85%	0.845	78%	0.775	S	S	*	*			trans	-155.2	161.9	131.4	-133.9	0	0	0	0	113.8
287	T	29.5	Very low	29.3	Very low	134 Å²	134	139.7 Å²	139.7	82%	0.822	78%	0.78	S	S	*	*			trans	-50.7	150.8	-163.2	41	0	0	0	0	122.6
288	L	27.7	Very low	29.2	Very low	164 Å²	164	139.8 Å²	139.8	86%	0.859	78%	0.78	S	S	*	*			trans	-42.6	172	157.9	-73.6	160.8	0	0	0	117.1
289	P	31	Very low	29.4	Very low	111 Å²	111	142.6 Å²	142.6	72%	0.721	79%	0.787	S	S	*	*			cis	-128.1	158.3	-3.4	36.7	-21.2	0	0	0	115.6
290	N	27.4	Very low	29.2	Very low	170 Å²	170	146 Å²	146	91%	0.909	79%	0.788	S	S	*	*			trans	-94.7	149.6	162.4	-81.3	12.6	0	0	0	111.3
291	S	32.9	Very low	29	Very low	104 Å²	104	146.7 Å²	146.7	73%	0.727	79%	0.79	S	S	*	*			trans	-113.3	142.8	174.9	-178	0	0	0	0	110.9
292	S	31	Very low	28.6	Very low	93 Å²	93	151 Å²	151	65%	0.65	80%	0.799	S	S	*	*			trans	44.1	84.6	151.6	58.3	0	0	0	0	117.5
293	D	28.9	Very low	28.2	Very low	155 Å²	155	148.3 Å²	148.3	83%	0.829	80%	0.8	S	S	*	*			trans	-66.7	125.4	146.9	-69.3	-64.3	0	0	0	108.7
294	I	30.8	Very low	28.1	Very low	148 Å²	148	152 Å²	152	76%	0.759	81%	0.81	S	S	*	*			trans	-115.4	120.6	161.2	-62.7	177.7	0	0	0	105.4
295	Q	29.2	Very low	27.9	Very low	160 Å²	160	153.3 Å²	153.3	75%	0.748	82%	0.816	S	S	*	*			trans	-123.2	136.2	173.3	-70.5	-175.1	-7.3	0	0	108.6
296	D	25.2	Very low	27.9	Very low	146 Å²	146	154.1 Å²	154.1	78%	0.781	82%	0.816	S	S	*	*			trans	-70.8	131.9	-170.8	-58.9	-75.1	0	0	0	112.9	V298	D296-V298 PolarHBondContact O-N 3.18Å; D296-V298 VanDerWaalsContact O-N 3.08Å
297	F	27.7	Very low	27.7	Very low	201 Å²	201	153.6 Å²	153.6	88%	0.882	81%	0.814	S	S	*	*			trans	-81.3	85.3	172.5	-88.8	-86.1	0	0	0	111	L299	F297-L299 PolarHBondContact O-N 3.13Å; F297-L299 VanDerWaalsContact O-N 3.13Å
298	V	26.9	Very low	27.7	Very low	122 Å²	122	152.8 Å²	152.8	74%	0.739	81%	0.811	S	S	*	*			trans	-66.7	105.9	166	178.5	0	0	0	0	109.3	D296	D296-V298 PolarHBondContact O-N 3.18Å; D296-V298 VanDerWaalsContact O-N 3.08Å
299	L	28.1	Very low	27.6	Very low	161 Å²	161	155.1 Å²	155.1	84%	0.843	82%	0.815	S	S	*	*			trans	-82.2	114.1	172.4	-75.2	167.3	0	0	0	110.5	F297	F297-L299 PolarHBondContact O-N 3.13Å; F297-L299 VanDerWaalsContact O-N 3.13Å
300	R	25.4	Very low	27.5	Very low	225 Å²	225	155.4 Å²	155.4	85%	0.849	82%	0.817	S	S	*	*			trans	-102.7	143.8	155.9	-73.2	-170.1	176.2	-156.2	-2.8	109.3
301	P	26.6	Very low	27.3	Very low	119 Å²	119	155.4 Å²	155.4	77%	0.773	81%	0.811	S	S	*	*			trans	-73.6	177	177.6	32.2	-36.1	0	0	0	112.5
302	E	23.2	Very low	27.1	Very low	196 Å²	196	158.6 Å²	158.6	92%	0.916	82%	0.818	S	S	*	*			trans	74.3	77.8	177	-59.6	-166.7	-156.2	0	0	117.8
303	A	26.3	Very low	26.7	Very low	97 Å²	97	159.1 Å²	159.1	80%	0.802	82%	0.817	S	S	*	*			trans	-157.1	63.5	158.7	0	0	0	0	0	114
304	F	25.7	Very low	26.5	Very low	209 Å²	209	156.5 Å²	156.5	92%	0.917	81%	0.81	S	S	*	*			trans	-115.1	80	171.7	-91.2	-69.8	0	0	0	112.8
305	H	28.1	Very low	26.4	Very low	195 Å²	195	157.7 Å²	157.7	90%	0.903	81%	0.81	S	S	*	*			trans	-127.9	148.4	164.4	-89.8	-95.4	0	0	0	111.4
306	K	25.9	Very low	26.3	Very low	201 Å²	201	156 Å²	156	87%	0.874	81%	0.806	S	S	*	*			trans	-67.2	148.9	-164.3	-58	168.6	-179.9	172.8	0	114.1
307	S	24.1	Very low	26.4	Very low	114 Å²	114	158.3 Å²	158.3	80%	0.797	81%	0.809	S	S	*	*				157.4	-175.9	124.7	67.9	0	0	0	0	111.5
308	P	30	Very low	26.8	Very low	117 Å²	117	156.2 Å²	156.2	76%	0.76	81%	0.805	S	S	*	*				-124.1	161.5	-110.9	31.1	-9.6	0	0	0	115.9
309	F	25.3	Very low	26.8	Very low	214 Å²	214	157.3 Å²	157.3	94%	0.939	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-94.2	143.2	173.7	-82.8	-81.2	0	0	0	113.2
310	P	28.4	Very low	27	Very low	116 Å²	116	156.9 Å²	156.9	75%	0.753	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-91.4	166.8	-179.5	36.6	-36.2	0	0	0	114.7
311	E	22.9	Very low	27.3	Very low	170 Å²	170	153.9 Å²	153.9	79%	0.794	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-84.4	136	-175.2	175.5	-177.6	-145.9	0	0	113.7	V313	E311-V313 HydrophobicContact CG-CG2 4.06Å
312	I	29.9	Very low	27.5	Very low	171 Å²	171	153.4 Å²	153.4	88%	0.877	80%	0.802	S	S	*	*			trans	-139.5	138.7	164.3	-57.8	-177.7	0	0	0	109.4
313	V	22.9	Very low	27.5	Very low	104 Å²	104	149.5 Å²	149.5	63%	0.63	79%	0.792	S	S	*	*			trans	-130.2	131.3	-169.6	-179.2	0	0	0	0	111.4	E311	E311-V313 HydrophobicContact CG-CG2 4.06Å
314	C	24.8	Very low	27.7	Very low	101 Å²	101	152.8 Å²	152.8	68%	0.682	80%	0.795	S	S	*	*			trans	171.3	118.6	133.2	-92.3	0	0	0	0	117
315	K	26.8	Very low	27.8	Very low	172 Å²	172	149.2 Å²	149.2	75%	0.748	78%	0.781	S	S	*	*				74.4	109.6	124.7	-66.6	179.6	178.7	171.6	0	124.3
316	D	28.6	Very low	27.8	Very low	124 Å²	124	147.8 Å²	147.8	66%	0.663	78%	0.775	S	S	*	*				85	113.6	115	-59.5	-4.4	0	0	0	123
317	K	27.5	Very low	27.8	Very low	195 Å²	195	142.1 Å²	142.1	85%	0.848	77%	0.765	S	S	*	*			trans	79	150.2	156.2	-54.4	164.2	-173.4	174.9	0	116
318	I	34.5	Very low	28	Very low	157 Å²	157	145.7 Å²	145.7	81%	0.805	77%	0.769	S	S	*	*			cis	-127.9	159.2	14.6	-64.8	168.4	0	0	0	110.7
319	D	28.4	Very low	28	Very low	145 Å²	145	145.9 Å²	145.9	78%	0.775	77%	0.771	S	S	*	*			trans	-67.7	140.2	178.1	-39.8	-106.2	0	0	0	115.1
320	D	32	Very low	28	Very low	153 Å²	153	142.4 Å²	142.4	82%	0.818	77%	0.767	S	S	*	*				-172.1	148.9	122.4	-123.9	-30	0	0	0	114
321	L	31.1	Very low	27.8	Very low	161 Å²	161	140.5 Å²	140.5	84%	0.843	76%	0.761	S	S	*	*			trans	67.5	157.2	166.9	-64.6	175.7	0	0	0	119.6
322	P	30.3	Very low	28	Very low	109 Å²	109	138.3 Å²	138.3	71%	0.708	76%	0.759	S	S	*	*			trans	-120.5	148.5	-131.9	41.8	-34.5	0	0	0	119.9
323	V	24.4	Very low	27.7	Very low	114 Å²	114	137.4 Å²	137.4	69%	0.691	76%	0.756	S	S	*	*			trans	25.4	109.3	135.8	-168.4	0	0	0	0	119.8	Q325	V323-Q325 HydrophobicContact CG1-CG 3.99Å
324	L	29.4	Very low	28.2	Very low	166 Å²	166	137.1 Å²	137.1	87%	0.869	76%	0.764	S	S	*	*			trans	-163.7	89	133	-102.3	171.8	0	0	0	106.7
325	Q	28.4	Very low	28.5	Very low	134 Å²	134	141 Å²	141	63%	0.626	77%	0.772	S	S	*	*				60.4	97.9	82.3	-78.5	-164	-36.1	0	0	116.4	V323	V323-Q325 HydrophobicContact CG1-CG 3.99Å
326	H	27.7	Very low	28.8	Very low	166 Å²	166	139.5 Å²	139.5	77%	0.769	77%	0.773	S	S	*	*			trans	69.3	150.6	144.2	-48.6	-49.9	0	0	0	119.6
327	A	26.5	Very low	29	Very low	82 Å²	82	141 Å²	141	68%	0.678	78%	0.78	S	S	*	*			cis	-171.7	138.5	-27.9	0	0	0	0	0	109.1
328	E	29.1	Very low	29.6	Very low	188 Å²	188	138.8 Å²	138.8	88%	0.879	78%	0.778	S	S	*	*			trans	-87.6	150.1	139.7	-68.2	-168.8	156.8	0	0	107.7
329	P	28.8	Very low	29.5	Very low	121 Å²	121	139.2 Å²	139.2	79%	0.786	78%	0.782	S	S	*	*				-149.5	160.2	108.3	38	-22.5	0	0	0	115.5
330	V	25	Very low	29.8	Very low	141 Å²	141	136.1 Å²	136.1	86%	0.855	78%	0.784	S	S	*	*			trans	-104.9	141.8	157.9	174.6	0	0	0	0	108.4
331	A	25.8	Very low	29.8	Very low	77 Å²	77	136.5 Å²	136.5	64%	0.636	79%	0.785	S	S	*	*				155.9	128.5	129.9	0	0	0	0	0	115.4
332	V	25.7	Very low	29.8	Very low	124 Å²	124	135.9 Å²	135.9	75%	0.752	78%	0.783	S	S	*	*			trans	58.3	143.9	142.5	-52.2	0	0	0	0	120
333	N	24.6	Very low	30	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	78%	0.781	S	S	*	*			cis	-165	179.1	46.4	-106.2	-42.9	0	0	0	112.6
334	A	33.2	Very low	30.3	Very low	98 Å²	98	139.9 Å²	139.9	81%	0.81	78%	0.782	S	S	*	*			trans	95.3	152.1	158.7	0	0	0	0	0	118.4
335	E	30.2	Very low	30.5	Very low	183 Å²	183	140.1 Å²	140.1	86%	0.855	78%	0.782	S	S	*	*			trans	-122.4	-156.7	-160.8	-64	167.1	139	0	0	110.3
336	D	34.5	Very low	30.4	Very low	141 Å²	141	141.7 Å²	141.7	75%	0.754	79%	0.79	S	S	*	*			trans	109.3	89	161	-53.1	-4.6	0	0	0	117.7
337	D	32.1	Very low	30.7	Very low	154 Å²	154	140.6 Å²	140.6	82%	0.824	79%	0.79	S	S	*	*				61.3	169.9	121.7	-61.6	-15.1	0	0	0	125.2
338	D	39.3	Very low	30.9	Very low	149 Å²	149	141.9 Å²	141.9	80%	0.797	79%	0.789	S	S	*	*			trans	76.1	93.7	166.6	-70.1	-7.7	0	0	0	122.2
339	D	32.6	Very low	30.8	Very low	167 Å²	167	140.9 Å²	140.9	89%	0.893	78%	0.784	S	S	*	*				39.3	127.7	122.3	-76	-2.8	0	0	0	122.8
340	G	34.6	Very low	30.7	Very low	80 Å²	80	141.6 Å²	141.6	83%	0.825	78%	0.782	S	S	*	*			trans	-175.7	108.5	161.6	0	0	0	0	0	114.1
341	L	33.1	Very low	31	Very low	160 Å²	160	140.4 Å²	140.4	84%	0.838	78%	0.78	S	S	*	*			trans	-100.2	159.1	-179.5	-75.8	172.2	0	0	0	113.8
342	D	31.5	Very low	31	Very low	148 Å²	148	147.2 Å²	147.2	79%	0.791	80%	0.795	S	S	*	*			trans	67.1	152	162.8	-65.2	-39.3	0	0	0	117.6
343	E	34.4	Very low	31	Very low	142 Å²	142	150 Å²	150	66%	0.664	80%	0.8	S	S	*	*			cis	-145.4	153.3	9.5	-146.1	-176.3	176.9	0	0	113.1
344	K	30	Very low	31	Very low	165 Å²	165	150 Å²	150	72%	0.717	80%	0.799	S	S	*	*			trans	2.3	134.9	161	-59.1	152.2	-166.7	155.2	0	119.8
345	I	34	Very low	30.6	Very low	171 Å²	171	151.4 Å²	151.4	88%	0.877	80%	0.797	S	S	*	*				-170.8	149.4	109.3	-97.3	156.9	0	0	0	110.8
346	E	26.6	Very low	30.4	Very low	168 Å²	168	150 Å²	150	79%	0.785	79%	0.794	S	S	*	*			trans	-79.8	139.3	177.5	-56.6	166.3	131.3	0	0	111.6
347	N	33.1	Very low	30	Very low	142 Å²	142	148.6 Å²	148.6	76%	0.759	80%	0.795	S	S	*	*				171.8	137	120.7	-91	-56.9	0	0	0	114.8
348	T	30.3	Very low	29.6	Very low	109 Å²	109	147.1 Å²	147.1	67%	0.669	80%	0.797	S	S	*	*			trans	43.7	114	146.7	61	0	0	0	0	122.4
349	E	27.8	Very low	29.4	Very low	167 Å²	167	145.4 Å²	145.4	78%	0.78	80%	0.796	S	S	*	*				75.6	116.5	127.6	-65.1	-170.8	-166.2	0	0	123
350	N	27.3	Very low	29.2	Very low	136 Å²	136	146.3 Å²	146.3	73%	0.727	80%	0.795	S	S	*	*			trans	83.2	147.3	138.4	-67.6	-33.9	0	0	0	122.1
351	S	30.3	Very low	28.9	Very low	117 Å²	117	148.9 Å²	148.9	82%	0.818	80%	0.799	S	S	*	*			trans	60.3	99.4	170	32.5	0	0	0	0	117.9
352	F	25.9	Very low	28.5	Very low	219 Å²	219	149.1 Å²	149.1	96%	0.961	80%	0.801	S	S	*	*			trans	-70.2	134.2	147.5	-80	-101.4	0	0	0	109.4
353	E	25	Very low	28.3	Very low	182 Å²	182	147.1 Å²	147.1	85%	0.85	81%	0.805	S	S	*	*			trans	-129	140.9	161.9	-173.1	166.9	-138.5	0	0	108.9
354	I	25.6	Very low	28	Very low	152 Å²	152	145.5 Å²	145.5	78%	0.779	81%	0.809	S	S	*	*			trans	-88.9	114.9	-172.3	-63.5	175.1	0	0	0	109.6	I356	I354-I356 HydrophobicContact CG2-CG1 4.39Å; I354-I356 PolarHBondContact O-N 3.33Å
355	V	24.2	Very low	27.9	Very low	128 Å²	128	147.7 Å²	147.7	78%	0.776	82%	0.819	S	S	*	*			trans	-75.7	116.1	176	180	0	0	0	0	110.3
356	I	26.7	Very low	27.6	Very low	152 Å²	152	144.5 Å²	144.5	78%	0.779	81%	0.812	S	S	*	*			trans	-111.4	112.3	162.9	-59.5	-178.2	0	0	0	108.2	I354	I354-I356 HydrophobicContact CG2-CG1 4.39Å; I354-I356 PolarHBondContact O-N 3.33Å
357	S	25.4	Very low	27.8	Very low	112 Å²	112	142.4 Å²	142.4	78%	0.783	81%	0.813	S	S	*	*			trans	-69.8	135.6	-177.5	-61.8	0	0	0	0	112.4
358	S	25	Very low	27.4	Very low	123 Å²	123	141.5 Å²	141.5	86%	0.86	81%	0.808	S	S	*	*			trans	-114.8	145.9	176.4	52.7	0	0	0	0	111.8
359	S	34.3	Very low	27.2	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	81%	0.814	S	S	*	*			trans	-119.5	101.3	-174.3	44.2	0	0	0	0	113.5
360	Q	29.3	Very low	27.4	Very low	186 Å²	186	141.5 Å²	141.5	87%	0.869	81%	0.812	S	S	*	*			trans	54	106.3	147.7	-57.5	-177.9	10.4	0	0	119.9
361	C	26.6	Very low	27.6	Very low	134 Å²	134	141.2 Å²	141.2	91%	0.905	81%	0.81	S	S	*	*			trans	-149.1	140.5	139.8	-108.9	0	0	0	0	109.5
362	N	25.8	Very low	28.2	Very low	166 Å²	166	141.3 Å²	141.3	89%	0.888	81%	0.808	S	S	*	*			trans	-97.2	125.6	-167.1	-65.2	-46	0	0	0	114.1
363	A	27.8	Very low	29.4	Very low	106 Å²	106	133.8 Å²	133.8	88%	0.876	78%	0.78	S	S	*	*			trans	-169.3	149.1	143.5	0	0	0	0	0	111
364	S	27.4	Very low	30.4	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	77%	0.765	S	S	*	*			trans	-97.5	132.4	-176.3	56.1	0	0	0	0	113.7
365	F	27.7	Very low	31.9	Very low	211 Å²	211	132.3 Å²	132.3	93%	0.925	77%	0.773	S	S	*	*			trans	-166.1	158.7	135.2	-104.2	-68.5	0	0	0	110.4
366	S	27.5	Very low	33.8	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-76.5	160.2	-166.4	-52.4	0	0	0	0	114.8
367	P	30.2	Very low	35.5	Very low	124 Å²	124	124.2 Å²	124.2	81%	0.805	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-81.5	156.6	-173.3	33.7	-36.6	0	0	0	114
368	L	26.4	Very low	37.8	Very low	123 Å²	123	123.4 Å²	123.4	64%	0.644	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-103.7	157.5	164.1	-98.5	77.4	0	0	0	111.3	D404	L368-D404 WeakPolarHBondContact CD2-OD1 3.45Å
369	I	26	Very low	40.1	Very low	155 Å²	155	120.6 Å²	120.6	80%	0.795	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-70.4	134.7	-177.2	-62	161.8	0	0	0	110.1
370	T	30.9	Very low	41.9	Very low	122 Å²	122	119 Å²	119	75%	0.748	69%	0.691	S	S	*	*			trans	-115.4	121.3	178	-54.3	0	0	0	0	110.1
371	L	32.4	Very low	44.1	Very low	129 Å²	129	111.5 Å²	111.5	68%	0.675	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-70.7	140.5	168.4	-72.1	172.4	0	0	0	109.9	V373 L402	L371-V373 PolarHBondContact O-N 2.7Å; L371-L402 HydrophobicContact CD1-CD2 4.4Å
372	P	41.6	Very low	46.3	Very low	120 Å²	120	108.2 Å²	108.2	78%	0.779	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-67	126.5	-175	26.8	-34.4	0	0	0	111.5
373	V	50.8	Low	48.3	Very low	61 Å²	61	103.6 Å²	103.6	37%	0.37	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-67.7	135.6	176.8	-175.1	0	0	0	0	109.8	L371 L377 V379 F390	L371-V373 PolarHBondContact O-N 2.7Å; V373-L377 HydrophobicContact CG1-CB 4.07Å; V373-L377 WeakPolarHBondContact CG1-O 3.45Å; V373-V379 HydrophobicContact CG2-CG2 3.94Å; V373-F390 HydrophobicContact CG1-CD1 3.94Å; V373-F390 HydrophobicContact CG1-CE1 3.69Å; V373-F390 HydrophobicContact CG2-CE1 4.3Å
374	P	47.6	Very low	50.3	Low	84 Å²	84	103.1 Å²	103.1	55%	0.545	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-58.5	139.1	177.3	-25.2	35	0	0	0	112.5	G376 L377	P374-G376 PolarHBondContact O-N 2.8Å; P374-L377 HydrophobicContact CB-CD1 4.44Å; P374-L377 PolarHBondContact O-N 3.4Å; P374-L377 VanDerWaalsContact O-N 3.13Å
375	K	56.5	Low	52.4	Low	218 Å²	218	104.5 Å²	104.5	95%	0.948	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	126.1	-179.9	-65.5	-171	178	-171.8	0	110.8
376	G	63.6	Low	54.3	Low	61 Å²	61	95 Å²	95	63%	0.629	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.3	6.1	-176.9	0	0	0	0	0	114.9	P374 D392	P374-G376 PolarHBondContact O-N 2.8Å; G376-D392 WeakPolarHBondContact O-CA 3.44Å
377	L	63	Low	56.3	Low	50 Å²	50	91.1 Å²	91.1	26%	0.262	53%	0.527	S	S	.	.			trans	-121.1	124.6	170	-71.7	170	0	0	0	110.9	V373 P374 F390 E391 D392 Y397	V373-L377 HydrophobicContact CG1-CB 4.07Å; V373-L377 WeakPolarHBondContact CG1-O 3.45Å; P374-L377 HydrophobicContact CB-CD1 4.44Å; P374-L377 PolarHBondContact O-N 3.4Å; P374-L377 VanDerWaalsContact O-N 3.13Å; L377-F390 HydrophobicContact CB-CB 4.27Å; L377-F390 HydrophobicContact CB-CD1 4.15Å; L377-F390 HydrophobicContact CD2-CB 4.04Å; L377-E391 CarbonylContact C-O 3.59Å; L377-E391 WeakPolarHBondContact CA-O 3.48Å; L377-D392 HydrophobicContact CD2-CB 4.05Å; L377-Y397 HydrophobicContact CD2-CD2 3.91Å; L377-Y397 HydrophobicContact CD2-CE2 4.14Å
378	N	72.8	Confident	58.2	Low	94 Å²	94	87.2 Å²	87.2	50%	0.503	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.3	173	-64.1	-28.2	0	0	0	109.6	V380 F390 E391	N378-V380 PolarHBondContact O-N 2.69Å; N378-F390 CarbonylContact O-C 3.56Å; N378-F390 WeakPolarHBondContact O-CA 3.49Å; N378-E391 HydrophobicContact CB-CB 4.35Å; N378-E391 PolarHBondContact N-O 2.99Å; N378-E391 PolarHBondContact ND2-OE1 2.88Å; N378-E391 VanDerWaalsContact ND2-OE1 3.1Å; N378-E391 PolarHBondContact O-N 2.79Å
379	V	73.4	Confident	60.4	Low	65 Å²	65	83.9 Å²	83.9	39%	0.394	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.1	170.8	178.3	0	0	0	0	109.2	V373 V382 F390	V373-V379 HydrophobicContact CG2-CG2 3.94Å; V379-V382 HydrophobicContact CG1-CG2 4.14Å; V379-F390 HydrophobicContact CG2-CD1 3.68Å; V379-F390 HydrophobicContact CG2-CE1 3.45Å; V379-F390 VanDerWaalsContact CG2-CE1 3.45Å; V379-F390 HydrophobicContact CG2-CZ 4.36Å
380	V	73.5	Confident	63	Low	80 Å²	80	77.1 Å²	77.1	49%	0.485	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-42.5	179.4	-176.7	0	0	0	0	111.1	N378 I389 E391 L396	N378-V380 PolarHBondContact O-N 2.69Å; V380-I389 HydrophobicContact CB-CG2 4.42Å; V380-I389 PolarHBondContact N-O 3.42Å; V380-E391 HydrophobicContact CG2-CB 3.4Å; V380-E391 VanDerWaalsContact CG2-CB 3.4Å; V380-E391 HydrophobicContact CG2-CG 4.41Å; V380-L396 HydrophobicContact CG2-CD2 3.99Å
381	A	74.1	Confident	65.3	Low	27 Å²	27	74.7 Å²	74.7	22%	0.223	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	163.9	-179.5	0	0	0	0	0	111.4	I389	A381-I389 HydrophobicContact CB-CB 4.38Å; A381-I389 HydrophobicContact CB-CD1 4.36Å; A381-I389 PolarHBondContact N-O 2.85Å; A381-I389 PolarHBondContact O-N 2.96Å
382	V	72.8	Confident	67.3	Low	66 Å²	66	71.3 Å²	71.3	40%	0.4	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.9	162.9	-170.6	0	0	0	0	106.4	V379 V387	V379-V382 HydrophobicContact CG1-CG2 4.14Å; V382-V387 WeakPolarHBondContact CA-O 3.33Å
383	D	68.8	Low	68.6	Low	69 Å²	69	68.5 Å²	68.5	37%	0.369	40%	0.401	S	S	.	.			trans	-86.4	176.8	176.3	68.7	15.3	0	0	0	112.6	D385 G386 V387	D383-D385 PolarHBondContact O-N 2.94Å; D383-D385 PolarHBondContact OD1-N 2.94Å; D383-D385 VanDerWaalsContact OD1-N 3.13Å; D383-G386 PolarHBondContact O-N 2.91Å; D383-G386 PolarHBondContact OD1-N 2.71Å; D383-G386 VanDerWaalsContact OD1-N 3.07Å; D383-V387 PolarHBondContact N-O 3.42Å; D383-V387 WeakPolarHBondContact OD1-CB 3.48Å; D383-V387 PolarHBondContact OD1-N 2.78Å; D383-V387 WeakPolarHBondContact OD2-CB 3.28Å; D383-V387 WeakPolarHBondContact OD2-CG2 3.43Å
384	D	69.5	Low	69.6	Low	96 Å²	96	71.7 Å²	71.7	51%	0.513	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.6	-177.6	-61.1	-36.3	0	0	0	113.1	P480	D384-P480 WeakPolarHBondContact OD1-CA 3.47Å; D384-P480 WeakPolarHBondContact OD2-CB 3.27Å; D384-P480 WeakPolarHBondContact OD2-CD 3.5Å; D384-P480 WeakPolarHBondContact OD2-CG 3.5Å
385	D	71.1	Confident	70.5	Confident	135 Å²	135	74.2 Å²	74.2	72%	0.722	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.6	176.6	-72.7	-44.8	0	0	0	112.7	D383 V387 T403	D383-D385 PolarHBondContact O-N 2.94Å; D383-D385 PolarHBondContact OD1-N 2.94Å; D383-D385 VanDerWaalsContact OD1-N 3.13Å; D385-V387 HydrophobicContact CB-CG2 4.5Å; D385-T403 WeakPolarHBondContact O-CG2 3.39Å
386	G	68.1	Low	71.4	Confident	13 Å²	13	69.5 Å²	69.5	13%	0.134	40%	0.403	C	S	.	.			trans	81.3	25.3	179.7	0	0	0	0	0	114.1	D383	D383-G386 PolarHBondContact O-N 2.91Å; D383-G386 PolarHBondContact OD1-N 2.71Å; D383-G386 VanDerWaalsContact OD1-N 3.07Å
387	V	69.3	Low	71.5	Confident	22 Å²	22	71.3 Å²	71.3	13%	0.133	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	118.1	168.5	-172.1	0	0	0	0	108.7	V382 D383 D385 A398 P400	V382-V387 WeakPolarHBondContact CA-O 3.33Å; D383-V387 PolarHBondContact N-O 3.42Å; D383-V387 WeakPolarHBondContact OD1-CB 3.48Å; D383-V387 PolarHBondContact OD1-N 2.78Å; D383-V387 WeakPolarHBondContact OD2-CB 3.28Å; D383-V387 WeakPolarHBondContact OD2-CG2 3.43Å; D385-V387 HydrophobicContact CB-CG2 4.5Å; V387-A398 HydrophobicContact CG1-CB 3.93Å; V387-P400 HydrophobicContact CG1-CG 4.09Å; V387-P400 HydrophobicContact CG2-CB 4Å; V387-P400 HydrophobicContact CG2-CG 4.1Å
388	H	71	Confident	72	Confident	41 Å²	41	72.4 Å²	72.4	19%	0.19	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.9	172.8	-77.7	-124.1	0	0	0	110	F390 A398 L399 L402	H388-F390 HydrophobicContact CB-CD2 4.14Å; H388-F390 HydrophobicContact CB-CE2 3.37Å; H388-F390 HydrophobicContact CB-CZ 3.63Å; H388-A398 WeakPolarHBondContact O-CA 3.43Å; H388-L399 PolarHBondContact N-O 3.45Å; H388-L399 VanDerWaalsContact N-O 3.09Å; H388-L399 PolarHBondContact O-N 3.47Å; H388-L402 HydrophobicContact CB-CD1 4.46Å
389	I	72	Confident	71.4	Confident	53 Å²	53	72.8 Å²	72.8	27%	0.272	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.9	173.4	-57	-179	0	0	0	108.1	V380 A381 L396 Y397	V380-I389 HydrophobicContact CB-CG2 4.42Å; V380-I389 PolarHBondContact N-O 3.42Å; A381-I389 HydrophobicContact CB-CB 4.38Å; A381-I389 HydrophobicContact CB-CD1 4.36Å; A381-I389 PolarHBondContact N-O 2.85Å; A381-I389 PolarHBondContact O-N 2.96Å; I389-L396 HydrophobicContact CG2-CD2 4.22Å; I389-Y397 CarbonylContact C-O 3.58Å; I389-Y397 WeakPolarHBondContact CA-O 3.41Å
390	F	81.1	Confident	70.2	Confident	13 Å²	13	74.4 Å²	74.4	6%	0.057	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	158.8	179.3	-56.4	-94	0	0	0	112.5	V373 L377 N378 V379 H388 L396 Y397 L399	V373-F390 HydrophobicContact CG1-CD1 3.94Å; V373-F390 HydrophobicContact CG1-CE1 3.69Å; V373-F390 HydrophobicContact CG2-CE1 4.3Å; L377-F390 HydrophobicContact CB-CB 4.27Å; L377-F390 HydrophobicContact CB-CD1 4.15Å; L377-F390 HydrophobicContact CD2-CB 4.04Å; N378-F390 CarbonylContact O-C 3.56Å; N378-F390 WeakPolarHBondContact O-CA 3.49Å; V379-F390 HydrophobicContact CG2-CD1 3.68Å; V379-F390 HydrophobicContact CG2-CE1 3.45Å; V379-F390 VanDerWaalsContact CG2-CE1 3.45Å; V379-F390 HydrophobicContact CG2-CZ 4.36Å; H388-F390 HydrophobicContact CB-CD2 4.14Å; H388-F390 HydrophobicContact CB-CE2 3.37Å; H388-F390 HydrophobicContact CB-CZ 3.63Å; F390-L396 CarbonylContact O-C 3.53Å; F390-L396 VanDerWaalsContact O-CA 3.29Å; F390-L396 WeakPolarHBondContact O-CA 3.36Å; F390-Y397 PolarHBondContact N-O 3.25Å; F390-Y397 PolarHBondContact O-N 3.47Å; F390-L399 HydrophobicContact CD2-CB 4.47Å; F390-L399 HydrophobicContact CD2-CD1 4.16Å; F390-L399 HydrophobicContact CE2-CB 4.02Å; F390-L399 HydrophobicContact CE2-CD1 3.87Å
391	E	77.7	Confident	68.8	Low	71 Å²	71	73.3 Å²	73.3	33%	0.332	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.3	179	165.1	-166.9	99.4	0	0	110.4	L377 N378 V380 F395 L396	L377-E391 CarbonylContact C-O 3.59Å; L377-E391 WeakPolarHBondContact CA-O 3.48Å; N378-E391 HydrophobicContact CB-CB 4.35Å; N378-E391 PolarHBondContact N-O 2.99Å; N378-E391 PolarHBondContact ND2-OE1 2.88Å; N378-E391 VanDerWaalsContact ND2-OE1 3.1Å; N378-E391 PolarHBondContact O-N 2.79Å; V380-E391 HydrophobicContact CG2-CB 3.4Å; V380-E391 VanDerWaalsContact CG2-CB 3.4Å; V380-E391 HydrophobicContact CG2-CG 4.41Å; E391-F395 WeakPolarHBondContact CA-O 3.29Å; E391-L396 HydrophobicContact CB-CD2 4.07Å
392	D	75.8	Confident	67.4	Low	58 Å²	58	76.3 Å²	76.3	31%	0.31	44%	0.438	S	S	.	.			trans	-107.6	9.1	172.1	80.1	-27.7	0	0	0	113.8	G376 L377 N394 F395 Y397	G376-D392 WeakPolarHBondContact O-CA 3.44Å; L377-D392 HydrophobicContact CD2-CB 4.05Å; D392-N394 VanDerWaalsContact C-N 3.35Å; D392-N394 WeakPolarHBondContact OD1-CA 3.34Å; D392-N394 PolarHBondContact OD1-N 2.87Å; D392-F395 PolarHBondContact N-O 2.85Å; D392-F395 PolarHBondContact OD1-N 2.98Å; D392-Y397 HydrophobicContact CB-CE2 4.03Å
393	G	68.4	Low	65.8	Low	61 Å²	61	76.4 Å²	76.4	63%	0.629	44%	0.439	S	S	*	.	S	Bend	trans	87.9	-8.9	-171.7	0	0	0	0	0	114.9
394	N	71	Confident	64.3	Low	128 Å²	128	78.5 Å²	78.5	68%	0.684	45%	0.45	S	S	*	.	S	Bend	trans	-124.7	-35.9	177.3	-60.7	-82.9	0	0	0	113	D392	D392-N394 VanDerWaalsContact C-N 3.35Å; D392-N394 WeakPolarHBondContact OD1-CA 3.34Å; D392-N394 PolarHBondContact OD1-N 2.87Å
395	F	67	Low	62.5	Low	137 Å²	137	81.6 Å²	81.6	60%	0.601	46%	0.459	S	S	*	.			trans	-137.4	156.9	-171.9	-59.1	-74.8	0	0	0	112.3	E391 D392 Y397	E391-F395 WeakPolarHBondContact CA-O 3.29Å; D392-F395 PolarHBondContact N-O 2.85Å; D392-F395 PolarHBondContact OD1-N 2.98Å; F395-Y397 HydrophobicContact CB-CE2 3.85Å
396	L	75.5	Confident	60.8	Low	119 Å²	119	86.1 Å²	86.1	62%	0.623	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.1	172.9	-67.7	172.1	0	0	0	110.8	V380 I389 F390 E391	V380-L396 HydrophobicContact CG2-CD2 3.99Å; I389-L396 HydrophobicContact CG2-CD2 4.22Å; F390-L396 CarbonylContact O-C 3.53Å; F390-L396 VanDerWaalsContact O-CA 3.29Å; F390-L396 WeakPolarHBondContact O-CA 3.36Å; E391-L396 HydrophobicContact CB-CD2 4.07Å
397	Y	65.7	Low	59	Low	100 Å²	100	88.9 Å²	88.9	39%	0.392	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	116.1	-176.6	-57.7	-88.6	0	0	0	110.7	L377 I389 F390 D392 F395	L377-Y397 HydrophobicContact CD2-CD2 3.91Å; L377-Y397 HydrophobicContact CD2-CE2 4.14Å; I389-Y397 CarbonylContact C-O 3.58Å; I389-Y397 WeakPolarHBondContact CA-O 3.41Å; F390-Y397 PolarHBondContact N-O 3.25Å; F390-Y397 PolarHBondContact O-N 3.47Å; D392-Y397 HydrophobicContact CB-CE2 4.03Å; F395-Y397 HydrophobicContact CB-CE2 3.85Å
398	A	72.6	Confident	57.2	Low	72 Å²	72	95.2 Å²	95.2	60%	0.595	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.1	174.4	0	0	0	0	0	110.7	V387 H388	V387-A398 HydrophobicContact CG1-CB 3.93Å; H388-A398 WeakPolarHBondContact O-CA 3.43Å
399	L	60.2	Low	55.3	Low	102 Å²	102	101.3 Å²	101.3	53%	0.534	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.8	100.4	-179	-96.2	164.4	0	0	0	110.7	H388 F390	H388-L399 PolarHBondContact N-O 3.45Å; H388-L399 VanDerWaalsContact N-O 3.09Å; H388-L399 PolarHBondContact O-N 3.47Å; F390-L399 HydrophobicContact CD2-CB 4.47Å; F390-L399 HydrophobicContact CD2-CD1 4.16Å; F390-L399 HydrophobicContact CE2-CB 4.02Å; F390-L399 HydrophobicContact CE2-CD1 3.87Å
400	P	49.1	Very low	53.4	Low	100 Å²	100	103.8 Å²	103.8	65%	0.649	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.4	136	171.8	-16.9	31.4	0	0	0	110.9	V387	V387-P400 HydrophobicContact CG1-CG 4.09Å; V387-P400 HydrophobicContact CG2-CB 4Å; V387-P400 HydrophobicContact CG2-CG 4.1Å
401	G	44.5	Very low	51	Low	56 Å²	56	111 Å²	111	58%	0.577	61%	0.613	S	S	*	*			trans	127.3	7.9	165.3	0	0	0	0	0	117.6	T403	G401-T403 PolarHBondContact O-N 3.45Å
402	L	45.3	Very low	48.8	Very low	91 Å²	91	116.8 Å²	116.8	48%	0.476	64%	0.637	S	S	.	*			trans	-87.4	43	167.7	-67.9	176.8	0	0	0	111.5	L371 H388	L371-L402 HydrophobicContact CD1-CD2 4.4Å; H388-L402 HydrophobicContact CB-CD1 4.46Å
403	T	39	Very low	46.7	Very low	68 Å²	68	124.4 Å²	124.4	42%	0.417	66%	0.663	S	S	.	*	S	Bend	trans	-84.9	156.6	172.9	54.2	0	0	0	0	110.8	D385 G401 K405	D385-T403 WeakPolarHBondContact O-CG2 3.39Å; G401-T403 PolarHBondContact O-N 3.45Å; T403-K405 VanDerWaalsContact C-N 3.31Å; T403-K405 PolarHBondContact O-N 3.33Å
404	D	35.7	Very low	44.9	Very low	113 Å²	113	127.5 Å²	127.5	60%	0.604	67%	0.665	S	S	*	*	S	Bend	trans	-61.6	83.3	-177.2	-69.5	-60.4	0	0	0	113	L368	L368-D404 WeakPolarHBondContact CD2-OD1 3.45Å
405	K	32.8	Very low	43.1	Very low	161 Å²	161	125.3 Å²	125.3	70%	0.7	66%	0.66	S	S	*	*	S	Bend	trans	-135	4.4	-176.8	-66.9	-63.2	177.3	-168.2	0	114.5	T403	T403-K405 VanDerWaalsContact C-N 3.31Å; T403-K405 PolarHBondContact O-N 3.33Å
406	Y	34.4	Very low	41.2	Very low	230 Å²	230	128.6 Å²	128.6	90%	0.902	67%	0.669	S	S	*	*	S	Bend	trans	-139.8	36.8	174.8	-67.8	-72.4	0	0	0	111.8
407	S	30.6	Very low	39.3	Very low	71 Å²	71	129.7 Å²	129.7	50%	0.497	67%	0.67	S	S	.	*			trans	-115.7	41	-174.4	-54.8	0	0	0	0	112.8
408	D	31	Very low	37.6	Very low	154 Å²	154	132 Å²	132	82%	0.824	69%	0.689	S	S	*	*			trans	-168.7	104.4	161.7	-118	-16.3	0	0	0	109
409	D	32.8	Very low	35.7	Very low	170 Å²	170	136.6 Å²	136.6	91%	0.909	70%	0.702	S	S	*	*			trans	-169.5	43.4	165	-116.6	-20.4	0	0	0	112.8
410	S	30.8	Very low	34.3	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	71%	0.71	S	S	*	*	S	Bend	trans	-141.2	135.1	168.4	-66.4	0	0	0	0	110.9
411	D	31.2	Very low	33.4	Very low	165 Å²	165	138.5 Å²	138.5	88%	0.882	71%	0.712	S	S	*	*	S	Bend	trans	62	56.5	159.4	-57.8	-16.9	0	0	0	119.5
412	F	31.8	Very low	32.7	Very low	191 Å²	191	142.7 Å²	142.7	84%	0.838	72%	0.719	S	S	*	*			trans	-139.8	126.8	135.4	-155.1	-99.9	0	0	0	113.5
413	Y	30.9	Very low	31.9	Very low	218 Å²	218	142.6 Å²	142.6	86%	0.855	73%	0.727	S	S	*	*			trans	-105.6	145.7	174.6	-136.3	-88.3	0	0	0	109.5
414	D	30.3	Very low	31.4	Very low	127 Å²	127	145.5 Å²	145.5	68%	0.679	74%	0.739	S	S	*	*			trans	90.3	140.7	163.9	-149.8	-9.2	0	0	0	119
415	S	33.1	Very low	31.1	Very low	82 Å²	82	147.5 Å²	147.5	57%	0.573	75%	0.749	S	S	*	*			trans	76.1	79.9	154.3	-73.2	0	0	0	0	122.3
416	R	28.9	Very low	31.1	Very low	206 Å²	206	147.4 Å²	147.4	78%	0.777	76%	0.755	S	S	*	*				86.5	140.2	108.3	-82.4	172.5	125.5	100.8	7.2	122.7
417	E	35.6	Very low	31.2	Very low	141 Å²	141	142.4 Å²	142.4	66%	0.659	75%	0.753	S	S	*	*			trans	76.9	98.4	141.6	-72.7	165	-150.6	0	0	119.6
418	D	28.8	Very low	31.5	Very low	148 Å²	148	144 Å²	144	79%	0.791	76%	0.762	S	S	*	*				38	126.7	125.9	-57	-13.4	0	0	0	120.5
419	I	33.5	Very low	31.4	Very low	169 Å²	169	141.5 Å²	141.5	87%	0.867	76%	0.757	S	S	*	*				-168.2	152.3	104.2	-94.8	153.9	0	0	0	109.9
420	T	29.5	Very low	31.2	Very low	113 Å²	113	142.7 Å²	142.7	69%	0.693	75%	0.75	S	S	*	*			trans	-105	167.1	-179.8	53.1	0	0	0	0	113.1
421	N	31.6	Very low	31	Very low	130 Å²	130	143.2 Å²	143.2	70%	0.695	75%	0.749	S	S	*	*			trans	87.9	112.2	146.7	-71.7	-19.7	0	0	0	122.5
422	I	28.7	Very low	30.8	Very low	143 Å²	143	139 Å²	139	73%	0.733	74%	0.737	S	S	*	*				88.4	137.2	114.2	-69.5	170.6	0	0	0	121
423	S	29	Very low	30.7	Very low	90 Å²	90	138.6 Å²	138.6	63%	0.629	74%	0.738	S	S	*	*			trans	78.1	113.9	154.1	-81.3	0	0	0	0	122.7
424	D	27.9	Very low	30.8	Very low	128 Å²	128	137 Å²	137	68%	0.684	74%	0.738	S	S	*	*				71.1	116.4	116.8	-55.8	-40.3	0	0	0	122.3
425	L	29.6	Very low	30.5	Very low	155 Å²	155	136.9 Å²	136.9	81%	0.812	74%	0.741	S	S	*	*				35.4	117.2	120.1	-54.6	171.6	0	0	0	118.5
426	I	33.7	Very low	30.2	Very low	160 Å²	160	139.6 Å²	139.6	82%	0.821	75%	0.75	S	S	*	*			trans	-165.6	134.3	132	-100.5	146.5	0	0	0	110.1	P428	I426-P428 HydrophobicContact CG2-CG 4.41Å
427	S	36.3	Very low	30.2	Very low	124 Å²	124	136.4 Å²	136.4	87%	0.867	75%	0.748	S	S	*	*			trans	-135.5	118.2	168.3	-69.5	0	0	0	0	110.6
428	P	36.1	Very low	29.9	Very low	106 Å²	106	138.4 Å²	138.4	69%	0.688	76%	0.757	S	S	*	*			trans	-95.8	136.6	156.2	-2.1	23.3	0	0	0	109.5	I426	I426-P428 HydrophobicContact CG2-CG 4.41Å
429	S	28.3	Very low	30	Very low	100 Å²	100	139.2 Å²	139.2	70%	0.699	76%	0.756	S	S	*	*				73.9	125.4	51.2	-161.7	0	0	0	0	111.1
430	Y	29.4	Very low	29.8	Very low	196 Å²	196	136.5 Å²	136.5	77%	0.769	74%	0.743	S	S	*	*			cis	-167	152.9	13.5	-141.3	-141.6	0	0	0	112.9
431	T	26.9	Very low	30	Very low	116 Å²	116	136.4 Å²	136.4	71%	0.712	74%	0.743	S	S	*	*			trans	57.3	163.7	143.4	48.9	0	0	0	0	122
432	A	27.3	Very low	29.9	Very low	76 Å²	76	138.5 Å²	138.5	63%	0.628	75%	0.746	S	S	*	*			cis	-162.2	172.7	-14.5	0	0	0	0	0	109.4
433	E	30.1	Very low	30.3	Very low	183 Å²	183	138.8 Å²	138.8	86%	0.855	75%	0.754	S	S	*	*				-179.2	105.3	124.2	-97.1	167	-166.8	0	0	107.1
434	Q	31.3	Very low	30.4	Very low	183 Å²	183	140.7 Å²	140.7	86%	0.855	76%	0.757	S	S	*	*				77.5	132.9	80.6	-79.6	-160	-13.2	0	0	114.5
435	V	25.1	Very low	30.8	Very low	125 Å²	125	140.5 Å²	140.5	76%	0.758	76%	0.755	S	S	*	*			trans	-115.2	138	173.9	-178.8	0	0	0	0	106.8
436	N	27.3	Very low	31	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	75%	0.748	S	S	*	*			trans	173.2	124.3	134.6	-85.1	-1.3	0	0	0	111.3
437	D	29.1	Very low	30.9	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	74%	0.741	S	S	*	*			trans	47.9	117.4	135.5	-50.5	-23.9	0	0	0	123.4
438	E	27.5	Very low	30.9	Very low	183 Å²	183	139 Å²	139	86%	0.855	73%	0.731	S	S	*	*			trans	68.8	157.6	139.9	-60.7	-151.1	134.1	0	0	123.7
439	E	31.8	Very low	30.6	Very low	166 Å²	166	141.5 Å²	141.5	78%	0.776	74%	0.738	S	S	*	*			trans	62.8	137.7	167.3	-72.5	-127.7	100.6	0	0	119
440	N	29.2	Very low	30.8	Very low	111 Å²	111	141.2 Å²	141.2	59%	0.594	74%	0.736	S	S	*	*			cis	-167	-179.4	-6.2	-171.2	-17.6	0	0	0	107.8
441	V	33.8	Very low	30.9	Very low	112 Å²	112	138.1 Å²	138.1	68%	0.679	74%	0.737	S	S	*	*			trans	66.2	86.1	163.2	-165.1	0	0	0	0	116
442	K	30.6	Very low	31	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.757	74%	0.738	S	S	*	*				53.2	103.9	84.7	-61.2	173.9	179.9	166.9	0	115.9
443	T	36.1	Very low	31.1	Very low	148 Å²	148	138.9 Å²	138.9	91%	0.908	74%	0.743	S	S	*	*				-152.8	161.9	113.4	46.5	0	0	0	0	110.9
444	N	31.4	Very low	31.2	Very low	130 Å²	130	135.1 Å²	135.1	70%	0.695	74%	0.737	S	S	*	*				-158.2	168.2	-73	-149.5	-1.4	0	0	0	108.8
445	I	35.9	Very low	31.2	Very low	124 Å²	124	133.3 Å²	133.3	64%	0.636	73%	0.733	S	S	*	*			trans	68.3	100.2	155.6	-67.8	160	0	0	0	115
446	E	33.1	Very low	31.6	Very low	143 Å²	143	132.8 Å²	132.8	67%	0.668	74%	0.735	S	S	*	*				72.5	151.2	93.8	-72.4	-174.9	154.6	0	0	114.1
447	K	33.4	Very low	32.2	Very low	154 Å²	154	131 Å²	131	67%	0.67	73%	0.731	S	S	*	*			cis	-157.5	169	9.5	-123	157.3	-169.2	146.7	0	106
448	V	34.7	Very low	32.3	Very low	111 Å²	111	134 Å²	134	67%	0.673	74%	0.737	S	S	*	*			cis	-159.1	155.2	25.5	-110.9	0	0	0	0	109.5
449	L	31.3	Very low	32.4	Very low	158 Å²	158	130.9 Å²	130.9	83%	0.827	74%	0.736	S	S	*	*			trans	35.5	143.4	134.7	-54	172.3	0	0	0	121.6
450	S	31.9	Very low	32.6	Very low	94 Å²	94	130 Å²	130	66%	0.657	74%	0.735	S	S	*	*			cis	-173.4	139.2	-4.6	47.5	0	0	0	0	114
451	V	30.4	Very low	32.6	Very low	131 Å²	131	130.2 Å²	130.2	79%	0.794	74%	0.741	S	S	*	*			trans	59.4	106.6	132.7	-175.5	0	0	0	0	120.9
452	S	29.1	Very low	32.6	Very low	104 Å²	104	129.9 Å²	129.9	73%	0.727	74%	0.739	S	S	*	*			trans	81.2	122.9	136.8	-63.5	0	0	0	0	124.9
453	S	30.9	Very low	32.7	Very low	104 Å²	104	132.6 Å²	132.6	73%	0.727	74%	0.744	S	S	*	*				79.4	109.3	128.3	-61.6	0	0	0	0	123.3
454	S	30.6	Very low	32.8	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	74%	0.741	S	S	*	*				90.9	138.4	128.3	77.2	0	0	0	0	122.8
455	N	32.6	Very low	32.9	Very low	144 Å²	144	136 Å²	136	77%	0.77	75%	0.747	S	S	*	*			trans	82.4	56.5	150.3	-60.8	-4.2	0	0	0	122.7
456	S	33.3	Very low	33.1	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	75%	0.753	S	S	*	*			trans	69	-179.8	139.9	84.3	0	0	0	0	117.9
457	P	38.9	Very low	33.2	Very low	102 Å²	102	135.4 Å²	135.4	66%	0.662	75%	0.754	S	S	*	*			cis	-132.7	-179.9	-10.6	42.1	-26.2	0	0	0	115.5
458	K	31.2	Very low	33.3	Very low	200 Å²	200	135.6 Å²	135.6	87%	0.87	76%	0.755	S	S	*	*			trans	61.5	99.2	152.6	-72.7	170.4	-179.1	179.5	0	121.6
459	S	31	Very low	33.2	Very low	118 Å²	118	141 Å²	141	83%	0.825	76%	0.763	S	S	*	*				77	165.5	128.3	-149.9	0	0	0	0	122.1
460	I	34.9	Very low	33.5	Very low	147 Å²	147	139.5 Å²	139.5	75%	0.754	77%	0.766	S	S	*	*			trans	80	87.7	167.2	-57.8	-174.4	0	0	0	117.7
461	T	30.3	Very low	33.5	Very low	117 Å²	117	138.9 Å²	138.9	72%	0.718	77%	0.774	S	S	*	*				103	143.2	120.8	-65.2	0	0	0	0	122.5
462	T	33.8	Very low	33.9	Very low	104 Å²	104	137.7 Å²	137.7	64%	0.638	77%	0.772	S	S	*	*			trans	76	104.9	164	33.9	0	0	0	0	122
463	R	31.3	Very low	34.3	Very low	231 Å²	231	137.9 Å²	137.9	87%	0.872	77%	0.774	S	S	*	*				49.1	110	122.4	-60	175.8	-169.3	165.5	1.8	118.3
464	K	38	Very low	34.8	Very low	194 Å²	194	140 Å²	140	84%	0.843	78%	0.777	S	S	*	*			trans	-121.6	103.1	146.9	-163.3	171.9	-173.6	177.4	0	110.6	V466	K464-V466 HydrophobicContact CG-CG2 4.48Å
465	L	34.4	Very low	35.4	Very low	155 Å²	155	139.5 Å²	139.5	81%	0.812	77%	0.773	S	S	*	*			trans	-72.7	122.9	164.9	-86.1	130.6	0	0	0	109.1
466	V	40.1	Very low	36.1	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	78%	0.782	S	S	*	*			trans	-134	144.7	153.1	-180	0	0	0	0	106.1	K464	K464-V466 HydrophobicContact CG-CG2 4.48Å
467	N	35.2	Very low	37.1	Very low	128 Å²	128	140.9 Å²	140.9	68%	0.684	77%	0.774	S	S	*	*			trans	-136.6	151.9	-159.6	-162.7	4.7	0	0	0	112.2
468	K	36.3	Very low	38.2	Very low	157 Å²	157	144.9 Å²	144.9	68%	0.683	78%	0.781	S	S	*	*			trans	68.7	118	164.6	-76.1	179.8	176.5	175.5	0	120.8
469	R	32.6	Very low	39.6	Very low	224 Å²	224	142 Å²	142	85%	0.845	77%	0.771	S	S	*	*				78.7	90.4	124.5	-68.4	179.7	170.5	-165.4	-6.2	120.1
470	S	37.3	Very low	41.5	Very low	127 Å²	127	139.3 Å²	139.3	89%	0.888	75%	0.75	S	S	*	*				-121.8	163.7	106.4	58.8	0	0	0	0	107.7
471	G	32	Very low	43.5	Very low	81 Å²	81	144.3 Å²	144.3	84%	0.835	76%	0.76	S	S	*	*			cis	145.6	42.8	-2.1	0	0	0	0	0	113.3
472	S	38.5	Very low	46	Very low	107 Å²	107	142.3 Å²	142.3	75%	0.748	75%	0.747	S	S	*	*			trans	-141.4	126.3	168.4	-155.1	0	0	0	0	109.3
473	S	37.6	Very low	48.3	Very low	108 Å²	108	146.3 Å²	146.3	76%	0.755	75%	0.751	S	S	*	*			trans	-71.5	134.6	149	-55.7	0	0	0	0	106.7
474	D	40	Very low	51	Low	148 Å²	148	144.4 Å²	144.4	79%	0.791	75%	0.749	S	S	*	*			trans	-176.7	137.9	137.1	-97.2	-26.9	0	0	0	111.7
475	S	43.4	Very low	53.6	Low	95 Å²	95	139.5 Å²	139.5	66%	0.664	74%	0.739	S	S	*	*			trans	53.5	97	161.5	78.8	0	0	0	0	117.6	V477	S475-V477 PolarHBondContact O-N 3.25Å
476	L	48.3	Very low	56.3	Low	182 Å²	182	138 Å²	138	95%	0.953	74%	0.742	S	S	*	*			trans	-81.3	51.4	163.8	-114.7	161.4	0	0	0	110.8	K478	L476-K478 PolarHBondContact O-N 2.89Å
477	V	54.1	Low	58.8	Low	106 Å²	106	139 Å²	139	64%	0.642	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-67.5	116.6	171.7	-177.9	0	0	0	0	107.3	S475 Q479	S475-V477 PolarHBondContact O-N 3.25Å; V477-Q479 PolarHBondContact O-N 3.04Å
478	K	62.2	Low	61.6	Low	185 Å²	185	138.6 Å²	138.6	80%	0.804	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-59.8	121.3	166.8	-66.9	174.9	-177.4	170.2	0	106.3	L476	L476-K478 PolarHBondContact O-N 2.89Å
479	Q	60.9	Low	64.4	Low	139 Å²	139	138.3 Å²	138.3	65%	0.65	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-64.6	142.8	175.8	-71	-167.3	-13.2	0	0	110.1	V477 R481	V477-Q479 PolarHBondContact O-N 3.04Å; Q479-R481 PolarHBondContact O-N 3.23Å
480	P	70	Confident	67.4	Low	62 Å²	62	134.2 Å²	134.2	40%	0.403	74%	0.741	S	S	.	*	P	Polyproline II helix	trans	-55.7	137.8	-179.9	13.1	-24.3	0	0	0	111.3	D384 V482	D384-P480 WeakPolarHBondContact OD1-CA 3.47Å; D384-P480 WeakPolarHBondContact OD2-CB 3.27Å; D384-P480 WeakPolarHBondContact OD2-CD 3.5Å; D384-P480 WeakPolarHBondContact OD2-CG 3.5Å; P480-V482 VanDerWaalsContact C-N 3.26Å; P480-V482 PolarHBondContact O-N 2.76Å
481	R	76.9	Confident	70.1	Confident	253 Å²	253	134.4 Å²	134.4	96%	0.955	74%	0.736	S	S	*	*	S	Bend	trans	-66.8	-31.5	176.4	-70.8	-179.2	64	-172.7	-2	111.7	Q479	Q479-R481 PolarHBondContact O-N 3.23Å
482	V	82.4	Confident	73.1	Confident	74 Å²	74	138.6 Å²	138.6	45%	0.448	73%	0.732	S	S	.	*			trans	-81.1	131.8	172.6	-179.2	0	0	0	0	108.9	P480 F484	P480-V482 VanDerWaalsContact C-N 3.26Å; P480-V482 PolarHBondContact O-N 2.76Å; V482-F484 HydrophobicContact CG1-CE2 4.27Å; V482-F484 HydrophobicContact CG1-CZ 4.17Å
483	R	82.1	Confident	75.7	Confident	189 Å²	189	139.4 Å²	139.4	71%	0.713	74%	0.738	S	S	*	*			trans	-130.2	122.5	173.1	-69.5	179.8	172.4	179.3	-5.6	108.9
484	F	89.4	Confident	78.5	Confident	190 Å²	190	139.3 Å²	139.3	83%	0.833	73%	0.733	S	S	*	*			trans	-75.9	139.9	172.9	-60.4	-81.8	0	0	0	109.6	V482 S486	V482-F484 HydrophobicContact CG1-CE2 4.27Å; V482-F484 HydrophobicContact CG1-CZ 4.17Å; F484-S486 PolarHBondContact O-N 3.42Å
485	S	91.3	Very high	81.1	Confident	91 Å²	91	138.5 Å²	138.5	64%	0.636	72%	0.724	S	S	*	*			trans	-67.2	133.6	172.7	-172.7	0	0	0	0	109.8	E487	S485-E487 VanDerWaalsContact C-N 3.34Å; S485-E487 WeakPolarHBondContact OG-CB 3.36Å; S485-E487 PolarHBondContact OG-N 3.05Å
486	S	91.1	Very high	83.5	Confident	125 Å²	125	136 Å²	136	87%	0.874	71%	0.707	S	S	*	*			trans	-91.8	3.3	170	61.5	0	0	0	0	112.8	F484	F484-S486 PolarHBondContact O-N 3.42Å
487	E	93.3	Very high	85.6	Confident	148 Å²	148	132.3 Å²	132.3	69%	0.692	69%	0.691	S	S	*	*	S	Bend	trans	-74.3	147.8	172.3	-60.6	-173.3	147.6	0	0	110.5	S485 I489	S485-E487 VanDerWaalsContact C-N 3.34Å; S485-E487 WeakPolarHBondContact OG-CB 3.36Å; S485-E487 PolarHBondContact OG-N 3.05Å; E487-I489 PolarHBondContact O-N 3.29Å
488	P	94.6	Very high	87.5	Confident	119 Å²	119	133.2 Å²	133.2	77%	0.773	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-57.7	129.6	174.3	-23.6	34.3	0	0	0	111.5	L490	P488-L490 PolarHBondContact O-N 3.19Å
489	I	94.2	Very high	89	Confident	151 Å²	151	130.2 Å²	130.2	77%	0.774	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-59.1	128.8	177.5	-62.1	173.9	0	0	0	109.5	E487 V491	E487-I489 PolarHBondContact O-N 3.29Å; I489-V491 HydrophobicContact CG2-CG2 4.3Å; I489-V491 PolarHBondContact O-N 2.66Å
490	L	94.9	Very high	90.7	Very high	138 Å²	138	130 Å²	130	72%	0.723	68%	0.684	S	S	*	*			trans	-72.2	95.6	174.2	-60.9	-178.5	0	0	0	109.8	P488 F492	P488-L490 PolarHBondContact O-N 3.19Å; L490-F492 HydrophobicContact CB-CE2 4Å; L490-F492 HydrophobicContact CB-CZ 3.99Å; L490-F492 HydrophobicContact CD1-CZ 4.36Å; L490-F492 WeakPolarHBondContact O-CD2 3.27Å; L490-F492 PolarHBondContact O-N 3.38Å
491	V	95	Very high	91.8	Very high	131 Å²	131	131.3 Å²	131.3	79%	0.794	69%	0.688	S	S	*	*			trans	-87.1	103.4	176.6	-178.1	0	0	0	0	109.5	I489	I489-V491 HydrophobicContact CG2-CG2 4.3Å; I489-V491 PolarHBondContact O-N 2.66Å
492	F	94.2	Very high	92.6	Very high	169 Å²	169	125.3 Å²	125.3	74%	0.741	67%	0.665	S	S	*	*			trans	-78.5	138.1	175.1	-58.8	-78.8	0	0	0	111.2	L490	L490-F492 HydrophobicContact CB-CE2 4Å; L490-F492 HydrophobicContact CB-CZ 3.99Å; L490-F492 HydrophobicContact CD1-CZ 4.36Å; L490-F492 WeakPolarHBondContact O-CD2 3.27Å; L490-F492 PolarHBondContact O-N 3.38Å
493	S	94.2	Very high	93.1	Very high	125 Å²	125	130 Å²	130	87%	0.874	68%	0.675	S	S	*	*			trans	-75.4	136.9	170.3	-166.1	0	0	0	0	110
494	T	95.3	Very high	93.6	Very high	106 Å²	106	124.8 Å²	124.8	65%	0.65	66%	0.661	S	S	*	*			trans	-117.6	164.3	171.6	68.4	0	0	0	0	109.5	S496	T494-S496 PolarHBondContact O-N 3.13Å
495	H	95.1	Very high	93.6	Very high	130 Å²	130	123.7 Å²	123.7	60%	0.602	66%	0.659	S	S	*	*			trans	-50.6	134.4	177.7	-57.8	-70.2	0	0	0	111.5	D499 R502	H495-D499 HydrophobicContact CB-CB 4.44Å; H495-R502 PolarHBondContact O-NH1 3.4Å; H495-R502 PolarHBondContact O-NH2 3.45Å
496	S	94.8	Very high	93.5	Very high	44 Å²	44	127.5 Å²	127.5	31%	0.308	67%	0.667	S	S	.	*			trans	-65.7	173.7	175.1	74.6	0	0	0	0	111.1	T494 T498 D499 Y500 R502	T494-S496 PolarHBondContact O-N 3.13Å; S496-T498 PolarHBondContact O-N 2.94Å; S496-T498 PolarHBondContact OG-N 3.25Å; S496-T498 PolarHBondContact OG-OG1 3.15Å; S496-D499 VanDerWaalsContact CB-OD2 3.22Å; S496-D499 WeakPolarHBondContact CB-OD2 3.25Å; S496-D499 PolarHBondContact N-OD2 2.98Å; S496-D499 PolarHBondContact O-N 3.16Å; S496-D499 PolarHBondContact OG-N 2.93Å; S496-D499 VanDerWaalsContact OG-N 3.1Å; S496-D499 PolarHBondContact OG-OD1 2.89Å; S496-D499 PolarHBondContact OG-OD2 2.98Å; S496-Y500 PolarHBondContact O-N 3.42Å; S496-R502 PolarHBondContact O-NH1 2.81Å; S496-R502 VanDerWaalsContact O-NH1 3.08Å
497	T	92.7	Very high	93.5	Very high	103 Å²	103	127.3 Å²	127.3	63%	0.632	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-9.7	173	47.9	0	0	0	0	113.5
498	T	93	Very high	93.2	Very high	126 Å²	126	122.6 Å²	122.6	77%	0.773	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-32.3	170.2	46.6	0	0	0	0	112.5	S496	S496-T498 PolarHBondContact O-N 2.94Å; S496-T498 PolarHBondContact OG-N 3.25Å; S496-T498 PolarHBondContact OG-OG1 3.15Å
499	D	94.9	Very high	93.1	Very high	121 Å²	121	121 Å²	121	65%	0.647	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-32	177.8	-36.6	-44.2	0	0	0	111.6	H495 S496	H495-D499 HydrophobicContact CB-CB 4.44Å; S496-D499 VanDerWaalsContact CB-OD2 3.22Å; S496-D499 WeakPolarHBondContact CB-OD2 3.25Å; S496-D499 PolarHBondContact N-OD2 2.98Å; S496-D499 PolarHBondContact O-N 3.16Å; S496-D499 PolarHBondContact OG-N 2.93Å; S496-D499 VanDerWaalsContact OG-N 3.1Å; S496-D499 PolarHBondContact OG-OD1 2.89Å; S496-D499 PolarHBondContact OG-OD2 2.98Å
500	Y	95.9	Very high	92.8	Very high	134 Å²	134	119 Å²	119	53%	0.525	61%	0.614	S	S	.	*	S	Bend	trans	-135.5	99.2	175.1	-178.1	-132.9	0	0	0	110.3	S496 R502	S496-Y500 PolarHBondContact O-N 3.42Å; Y500-R502 HydrophobicContact CD1-CG 3.71Å; Y500-R502 HydrophobicContact CE1-CG 3.74Å; Y500-R502 HydrophobicContact CG-CG 4.46Å; Y500-R502 PolarHBondContact O-N 3.27Å; Y500-R502 PolarHBondContact O-NH1 2.83Å
501	N	92.5	Very high	92.5	Very high	91 Å²	91	112.9 Å²	112.9	49%	0.487	58%	0.583	S	S	.	*			trans	-66.8	117.6	172.4	-177.4	25.4	0	0	0	109.4	R503	N501-R503 WeakPolarHBondContact OD1-CB 3.27Å; N501-R503 PolarHBondContact OD1-N 3.08Å; N501-R503 VanDerWaalsContact OD1-N 3.14Å
502	R	94.1	Very high	92.4	Very high	126 Å²	126	109.3 Å²	109.3	48%	0.475	57%	0.567	S	S	.	*			trans	-99.1	7.6	179.5	-65.3	165.3	178.8	85.5	-22	112.9	H495 S496 Y500	H495-R502 PolarHBondContact O-NH1 3.4Å; H495-R502 PolarHBondContact O-NH2 3.45Å; S496-R502 PolarHBondContact O-NH1 2.81Å; S496-R502 VanDerWaalsContact O-NH1 3.08Å; Y500-R502 HydrophobicContact CD1-CG 3.71Å; Y500-R502 HydrophobicContact CE1-CG 3.74Å; Y500-R502 HydrophobicContact CG-CG 4.46Å; Y500-R502 PolarHBondContact O-N 3.27Å; Y500-R502 PolarHBondContact O-NH1 2.83Å
503	R	93.5	Very high	92.3	Very high	172 Å²	172	104.7 Å²	104.7	65%	0.649	56%	0.556	S	S	*	*			trans	-80.8	136.9	169.6	-63.4	-175.6	179.3	83.4	-0.3	109.2	N501	N501-R503 WeakPolarHBondContact OD1-CB 3.27Å; N501-R503 PolarHBondContact OD1-N 3.08Å; N501-R503 VanDerWaalsContact OD1-N 3.14Å
504	N	92.6	Very high	92.2	Very high	80 Å²	80	99.9 Å²	99.9	43%	0.428	52%	0.524	S	S	.	.			trans	-112.9	128.7	153	-168.5	-13.3	0	0	0	107.4	E506 I507	N504-E506 PolarHBondContact ND2-OE2 2.94Å; N504-E506 WeakPolarHBondContact OD1-CB 3.39Å; N504-E506 VanDerWaalsContact OD1-CG 3.28Å; N504-E506 WeakPolarHBondContact OD1-CG 3.23Å; N504-E506 PolarHBondContact OD1-N 3.07Å; N504-E506 PolarHBondContact OD1-OE2 3.36Å; N504-I507 HydrophobicContact CB-CD1 3.99Å; N504-I507 HydrophobicContact CB-CG1 4.18Å
505	E	89.5	Confident	92	Very high	167 Å²	167	97.5 Å²	97.5	78%	0.78	51%	0.505	S	S	*	.	S	Bend	trans	-103.7	-5.4	179.1	-63.5	-179.7	-173.5	0	0	111.8	I507	E505-I507 VanDerWaalsContact C-N 3.33Å
506	E	88.8	Confident	92	Very high	171 Å²	171	97 Å²	97	80%	0.799	50%	0.499	S	S	*	.	S	Bend	trans	-78	-17	174.7	-53.7	161.3	166.4	0	0	112.4	N504 D508	N504-E506 PolarHBondContact ND2-OE2 2.94Å; N504-E506 WeakPolarHBondContact OD1-CB 3.39Å; N504-E506 VanDerWaalsContact OD1-CG 3.28Å; N504-E506 WeakPolarHBondContact OD1-CG 3.23Å; N504-E506 PolarHBondContact OD1-N 3.07Å; N504-E506 PolarHBondContact OD1-OE2 3.36Å; E506-D508 PolarHBondContact O-N 2.98Å
507	I	89.7	Confident	91.9	Very high	121 Å²	121	99.4 Å²	99.4	62%	0.621	51%	0.506	S	S	*	.			trans	-84.1	95	180	-55.7	176.6	0	0	0	109.3	N504 E505 P509	N504-I507 HydrophobicContact CB-CD1 3.99Å; N504-I507 HydrophobicContact CB-CG1 4.18Å; E505-I507 VanDerWaalsContact C-N 3.33Å; I507-P509 HydrophobicContact CG2-CG 4.5Å; I507-P509 WeakPolarHBondContact O-CD 3.41Å
508	D	89.1	Confident	92	Very high	50 Å²	50	95.6 Å²	95.6	27%	0.267	48%	0.481	S	S	.	.			trans	-99.3	105.7	161.6	-176.9	4.5	0	0	0	111	E506 L510 S511 A512	E506-D508 PolarHBondContact O-N 2.98Å; D508-L510 PolarHBondContact O-N 3.35Å; D508-L510 WeakPolarHBondContact OD1-CB 3.5Å; D508-L510 PolarHBondContact OD1-N 3.38Å; D508-S511 PolarHBondContact O-N 3.06Å; D508-S511 WeakPolarHBondContact OD2-CB 3.24Å; D508-S511 PolarHBondContact OD2-N 3.43Å; D508-A512 WeakPolarHBondContact O-CB 3.29Å; D508-A512 PolarHBondContact O-N 3Å
509	P	90.9	Very high	92.1	Very high	86 Å²	86	94.3 Å²	94.3	56%	0.558	47%	0.466	S	S	*	.	H	α-helix	trans	-62.6	-21.4	175.7	-21.7	34.2	0	0	0	114.2	I507 S513	I507-P509 HydrophobicContact CG2-CG 4.5Å; I507-P509 WeakPolarHBondContact O-CD 3.41Å; P509-S513 WeakPolarHBondContact O-CB 3.36Å; P509-S513 PolarHBondContact O-N 3.44Å; P509-S513 VanDerWaalsContact O-N 3.09Å; P509-S513 PolarHBondContact O-OG 3.49Å
510	L	87.9	Confident	92	Very high	107 Å²	107	91.4 Å²	91.4	56%	0.56	45%	0.448	S	S	*	.	H	α-helix	trans	-80.3	-49.1	178.8	-61	176.5	0	0	0	111	D508 S513 A514 S551	D508-L510 PolarHBondContact O-N 3.35Å; D508-L510 WeakPolarHBondContact OD1-CB 3.5Å; D508-L510 PolarHBondContact OD1-N 3.38Å; L510-S513 PolarHBondContact O-N 2.73Å; L510-A514 WeakPolarHBondContact O-CB 3.42Å; L510-A514 PolarHBondContact O-N 2.92Å; L510-S551 WeakPolarHBondContact CD1-OG 3.22Å
511	S	89.5	Confident	91.7	Very high	11 Å²	11	89.6 Å²	89.6	8%	0.077	44%	0.444	C	S	.	.	H	α-helix	trans	-59	-46.9	174.5	-160.1	0	0	0	0	111	D508 S513 A514 E515 E554 K556	D508-S511 PolarHBondContact O-N 3.06Å; D508-S511 WeakPolarHBondContact OD2-CB 3.24Å; D508-S511 PolarHBondContact OD2-N 3.43Å; S511-S513 PolarHBondContact O-N 3.23Å; S511-A514 PolarHBondContact O-N 3.46Å; S511-E515 PolarHBondContact O-N 2.93Å; S511-E554 PolarHBondContact OG-OE2 3.42Å; S511-K556 WeakPolarHBondContact OG-CE 3.36Å
512	A	91.6	Very high	91.8	Very high	55 Å²	55	86.2 Å²	86.2	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-64.6	-36.6	175.8	0	0	0	0	0	113.8	D508 Y516	D508-A512 WeakPolarHBondContact O-CB 3.29Å; D508-A512 PolarHBondContact O-N 3Å; A512-Y516 WeakPolarHBondContact O-CB 3.46Å; A512-Y516 PolarHBondContact O-N 3.44Å
513	S	92.6	Very high	91.6	Very high	72 Å²	72	87.4 Å²	87.4	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-69.7	-32.5	175.4	-65.3	0	0	0	0	112.7	P509 L510 S511 E517	P509-S513 WeakPolarHBondContact O-CB 3.36Å; P509-S513 PolarHBondContact O-N 3.44Å; P509-S513 VanDerWaalsContact O-N 3.09Å; P509-S513 PolarHBondContact O-OG 3.49Å; L510-S513 PolarHBondContact O-N 2.73Å; S511-S513 PolarHBondContact O-N 3.23Å; S513-E517 WeakPolarHBondContact O-CG 3.39Å; S513-E517 PolarHBondContact O-N 3.37Å
514	A	91.7	Very high	91.4	Very high	25 Å²	25	85.3 Å²	85.3	21%	0.207	44%	0.438	C	S	.	.	H	α-helix	trans	-71.4	-41.5	176.8	0	0	0	0	0	111.2	L510 S511 L518 K556	L510-A514 WeakPolarHBondContact O-CB 3.42Å; L510-A514 PolarHBondContact O-N 2.92Å; S511-A514 PolarHBondContact O-N 3.46Å; A514-L518 WeakPolarHBondContact O-CG 3.27Å; A514-L518 PolarHBondContact O-N 2.93Å; A514-K556 HydrophobicContact CB-CB 3.93Å; A514-K556 HydrophobicContact CB-CG 4.05Å
515	E	92.7	Very high	91.5	Very high	56 Å²	56	82.7 Å²	82.7	26%	0.262	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-49.8	173.9	-172.4	155.7	-136.6	0	0	111.9	S511 E517 L518 E519 K556	S511-E515 PolarHBondContact O-N 2.93Å; E515-E517 VanDerWaalsContact C-N 3.34Å; E515-E517 PolarHBondContact O-N 2.97Å; E515-L518 WeakPolarHBondContact O-CA 3.5Å; E515-L518 WeakPolarHBondContact O-CB 3.45Å; E515-L518 PolarHBondContact O-N 3.3Å; E515-E519 PolarHBondContact O-N 3.33Å; E515-K556 HydrophobicContact CB-CD 4.28Å; E515-K556 IonicContact OE1-NZ 2.71Å; E515-K556 PolarHBondContact OE1-NZ 3.04Å; E515-K556 WeakPolarHBondContact OE2-CE 3.28Å; E515-K556 IonicContact OE2-NZ 3.89Å; E515-K556 PolarHBondContact OE2-NZ 3.04Å
516	Y	94.5	Very high	91.8	Very high	120 Å²	120	78.6 Å²	78.6	47%	0.471	41%	0.408	S	S	.	.	H	α-helix	trans	-58	-39	177.8	174.5	-105.3	0	0	0	113.9	A512 L518 E519 K520	A512-Y516 WeakPolarHBondContact O-CB 3.46Å; A512-Y516 PolarHBondContact O-N 3.44Å; Y516-L518 VanDerWaalsContact C-N 3.29Å; Y516-L518 PolarHBondContact O-N 2.92Å; Y516-E519 PolarHBondContact O-N 2.88Å; Y516-K520 HydrophobicContact CE1-CD 4.15Å; Y516-K520 VanDerWaalsContact O-CB 3.26Å; Y516-K520 WeakPolarHBondContact O-CB 3.28Å; Y516-K520 PolarHBondContact O-N 2.97Å
517	E	93.3	Very high	92.1	Very high	94 Å²	94	75.3 Å²	75.3	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-70.5	-24.2	176.6	-71.1	-71.8	129.4	0	0	112.5	S513 E515 K520 H521	S513-E517 WeakPolarHBondContact O-CG 3.39Å; S513-E517 PolarHBondContact O-N 3.37Å; E515-E517 VanDerWaalsContact C-N 3.34Å; E515-E517 PolarHBondContact O-N 2.97Å; E517-K520 IonicContact OE1-NZ 2.68Å; E517-K520 PolarHBondContact OE1-NZ 3.43Å; E517-K520 IonicContact OE2-NZ 2.97Å; E517-K520 PolarHBondContact OE2-NZ 2.93Å; E517-H521 PolarHBondContact O-CD2 3.03Å; E517-H521 PolarHBondContact O-N 2.73Å
518	L	93.7	Very high	92.5	Very high	22 Å²	22	72.5 Å²	72.5	12%	0.115	38%	0.377	C	S	.	.	H	α-helix	trans	-77.1	-43.4	171.4	-63	168	0	0	0	111.8	A514 E515 Y516 H521 K556 V591	A514-L518 WeakPolarHBondContact O-CG 3.27Å; A514-L518 PolarHBondContact O-N 2.93Å; E515-L518 WeakPolarHBondContact O-CA 3.5Å; E515-L518 WeakPolarHBondContact O-CB 3.45Å; E515-L518 PolarHBondContact O-N 3.3Å; Y516-L518 VanDerWaalsContact C-N 3.29Å; Y516-L518 PolarHBondContact O-N 2.92Å; L518-H521 PolarHBondContact O-N 2.97Å; L518-K556 HydrophobicContact CD1-CB 4.2Å; L518-V591 HydrophobicContact CB-CG1 3.95Å
519	E	94.3	Very high	92.9	Very high	99 Å²	99	76.8 Å²	76.8	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-57.6	-48.3	173.4	-67.7	178.2	143.1	0	0	111	E515 Y516 H521 L522 V591	E515-E519 PolarHBondContact O-N 3.33Å; Y516-E519 PolarHBondContact O-N 2.88Å; E519-H521 PolarHBondContact O-N 2.69Å; E519-H521 VanDerWaalsContact O-N 3.16Å; E519-L522 VanDerWaalsContact O-CB 3.29Å; E519-L522 WeakPolarHBondContact O-CB 3.47Å; E519-L522 PolarHBondContact O-N 2.92Å; E519-V591 HydrophobicContact CG-CG1 3.97Å
520	K	94.3	Very high	93.2	Very high	60 Å²	60	72.7 Å²	72.7	26%	0.261	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-25.1	179.7	-169.8	171.7	93.7	-74.2	0	113.3	Y516 E517 L522 E523	Y516-K520 HydrophobicContact CE1-CD 4.15Å; Y516-K520 VanDerWaalsContact O-CB 3.26Å; Y516-K520 WeakPolarHBondContact O-CB 3.28Å; Y516-K520 PolarHBondContact O-N 2.97Å; E517-K520 IonicContact OE1-NZ 2.68Å; E517-K520 PolarHBondContact OE1-NZ 3.43Å; E517-K520 IonicContact OE2-NZ 2.97Å; E517-K520 PolarHBondContact OE2-NZ 2.93Å; K520-L522 PolarHBondContact O-N 2.84Å; K520-E523 PolarHBondContact O-N 3.24Å
521	H	89.4	Confident	93.6	Very high	97 Å²	97	72.1 Å²	72.1	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-70.6	-19.7	174.3	-81.1	-48.9	0	0	0	113.4	E517 L518 E519 M525	E517-H521 PolarHBondContact O-CD2 3.03Å; E517-H521 PolarHBondContact O-N 2.73Å; L518-H521 PolarHBondContact O-N 2.97Å; E519-H521 PolarHBondContact O-N 2.69Å; E519-H521 VanDerWaalsContact O-N 3.16Å; H521-M525 WeakPolarHBondContact O-CG 3.49Å
522	L	93.4	Very high	93.9	Very high	19 Å²	19	72.1 Å²	72.1	10%	0.099	37%	0.365	C	S	.	.	H	α-helix	trans	-74.4	-24.4	175.8	-60.8	175.1	0	0	0	112.9	E519 K520 D524 M525 M527 V583 V591 A614	E519-L522 VanDerWaalsContact O-CB 3.29Å; E519-L522 WeakPolarHBondContact O-CB 3.47Å; E519-L522 PolarHBondContact O-N 2.92Å; K520-L522 PolarHBondContact O-N 2.84Å; L522-D524 PolarHBondContact O-N 3.45Å; L522-M525 HydrophobicContact CD2-SD 4.04Å; L522-M525 PolarHBondContact O-N 2.97Å; L522-M527 HydrophobicContact CB-SD 4.42Å; L522-V583 HydrophobicContact CD1-CG1 3.8Å; L522-V583 HydrophobicContact CD1-CG2 4.07Å; L522-V583 HydrophobicContact CD2-CG2 3.76Å; L522-V591 HydrophobicContact CD1-CG2 3.74Å; L522-A614 HydrophobicContact CD2-CB 3.71Å
523	E	91.7	Very high	94.1	Very high	151 Å²	151	77.2 Å²	77.2	71%	0.706	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.3	179.3	-61.6	-178.8	-176.7	0	0	112.9	K520	K520-E523 PolarHBondContact O-N 3.24Å
524	D	89.4	Confident	94.2	Very high	128 Å²	128	76.3 Å²	76.3	68%	0.684	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-9.2	178.3	-77.4	-46.3	0	0	0	113.7	L522 K617	L522-D524 PolarHBondContact O-N 3.45Å; D524-K617 PolarHBondContact O-NZ 3.14Å
525	M	93.8	Very high	94.2	Very high	25 Å²	25	76.5 Å²	76.5	12%	0.123	36%	0.363	C	S	.	.	S	Bend	trans	-98.9	155.3	-172.6	-66	178.1	72.3	0	0	112.7	H521 L522 M527 Q581 A614 E616	H521-M525 WeakPolarHBondContact O-CG 3.49Å; L522-M525 HydrophobicContact CD2-SD 4.04Å; L522-M525 PolarHBondContact O-N 2.97Å; M525-M527 PolarHBondContact O-N 3.3Å; M525-Q581 HydrophobicContact CE-CB 4.21Å; M525-A614 HydrophobicContact CB-CB 4.05Å; M525-A614 HydrophobicContact CE-CB 3.79Å; M525-A614 HydrophobicContact SD-CB 4.23Å; M525-E616 HydrophobicContact CE-CG 4.1Å; M525-E616 HydrophobicContact CG-CG 4.5Å
526	D	95.2	Very high	93.9	Very high	82 Å²	82	81.1 Å²	81.1	44%	0.439	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	108.2	178	-61.8	-17.1	0	0	0	109	R615 K617	D526-R615 PolarHBondContact N-O 2.92Å; D526-R615 PolarHBondContact O-N 2.68Å; D526-K617 WeakPolarHBondContact OD1-CE 3.35Å; D526-K617 IonicContact OD1-NZ 3.11Å; D526-K617 PolarHBondContact OD1-NZ 2.68Å
527	M	96.3	Very high	93.6	Very high	101 Å²	101	82.9 Å²	82.9	50%	0.498	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	140.2	-178.7	-69.6	-177.6	66.1	0	0	112.8	L522 M525 V583 V612 I613 A614	L522-M527 HydrophobicContact CB-SD 4.42Å; M525-M527 PolarHBondContact O-N 3.3Å; M527-V583 HydrophobicContact CE-CG1 4.04Å; M527-V583 HydrophobicContact CE-CG2 4.47Å; M527-V612 HydrophobicContact CE-CG1 3.56Å; M527-I613 CarbonylContact C-O 3.37Å; M527-I613 VanDerWaalsContact CA-O 3.29Å; M527-I613 WeakPolarHBondContact CA-O 3.41Å; M527-A614 HydrophobicContact CG-CB 3.92Å
528	F	97.4	Very high	93.6	Very high	62 Å²	62	79.4 Å²	79.4	27%	0.272	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	151.6	178.2	59.5	-75.4	0	0	0	113.1	I530 I613 R615	F528-I530 HydrophobicContact CD2-CD1 4.07Å; F528-I530 HydrophobicContact CD2-CG1 3.88Å; F528-I530 HydrophobicContact CE2-CD1 3.56Å; F528-I530 HydrophobicContact CE2-CG1 3.91Å; F528-I530 HydrophobicContact CZ-CD1 4.42Å; F528-I613 HydrophobicContact CE1-CB 4.1Å; F528-I613 HydrophobicContact CE1-CG2 3.68Å; F528-I613 HydrophobicContact CE2-CB 4.26Å; F528-I613 HydrophobicContact CE2-CG2 4.32Å; F528-I613 HydrophobicContact CZ-CB 3.92Å; F528-I613 HydrophobicContact CZ-CG2 3.54Å; F528-I613 PolarHBondContact N-O 3.17Å; F528-I613 PolarHBondContact O-N 3.25Å; F528-R615 HydrophobicContact CE1-CB 3.98Å
529	E	97.7	Very high	93.7	Very high	140 Å²	140	79.1 Å²	79.1	65%	0.654	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	144.4	-178.2	-66.3	175.8	-160.6	0	0	112.1	H610 F611 V612	E529-H610 IonicContact OE2-CE1 3.19Å; E529-F611 CarbonylContact C-O 3.52Å; E529-F611 WeakPolarHBondContact CA-O 3.05Å; E529-V612 HydrophobicContact CG-CG2 4.3Å
530	I	97.1	Very high	93.7	Very high	1 Å²	1	75 Å²	75	1%	0.005	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	106.8	-177.5	-47	178.2	0	0	0	110.3	F528 F532 R575 I576 F611 I613	F528-I530 HydrophobicContact CD2-CD1 4.07Å; F528-I530 HydrophobicContact CD2-CG1 3.88Å; F528-I530 HydrophobicContact CE2-CD1 3.56Å; F528-I530 HydrophobicContact CE2-CG1 3.91Å; F528-I530 HydrophobicContact CZ-CD1 4.42Å; I530-F532 HydrophobicContact CG2-CD1 4.22Å; I530-R575 HydrophobicContact CD1-CB 4.29Å; I530-R575 VanDerWaalsContact CG2-CZ 3.49Å; I530-I576 HydrophobicContact CD1-CD1 4.44Å; I530-I576 HydrophobicContact CD1-CG1 3.58Å; I530-I576 HydrophobicContact CG2-CG1 4.43Å; I530-F611 HydrophobicContact CB-CB 4.23Å; I530-F611 PolarHBondContact N-O 3.22Å; I530-F611 PolarHBondContact O-N 3.15Å; I530-I613 HydrophobicContact CD1-CB 4.22Å; I530-I613 HydrophobicContact CD1-CG1 3.55Å; I530-I613 HydrophobicContact CG1-CG1 4.31Å
531	D	96.6	Very high	93.8	Very high	95 Å²	95	73.7 Å²	73.7	51%	0.508	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.3	162.8	-65	-29.3	0	0	0	110.2	R575 I609 H610	D531-R575 PolarHBondContact O-NH2 2.93Å; D531-I609 WeakPolarHBondContact CA-O 3.21Å; D531-H610 IonicContact OD1-CE1 3.55Å; D531-H610 IonicContact OD1-CG 3.86Å; D531-H610 IonicContact OD1-ND1 3.53Å; D531-H610 PolarHBondContact OD1-ND1 3.44Å
532	F	95.8	Very high	94.1	Very high	10 Å²	10	71.4 Å²	71.4	4%	0.044	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	164.6	172.1	75	-69	0	0	0	112.6	I530 L539 A569 A570 D573 I576 I609 F611	I530-F532 HydrophobicContact CG2-CD1 4.22Å; F532-L539 HydrophobicContact CZ-CD2 4.1Å; F532-A569 HydrophobicContact CD2-CB 4.44Å; F532-A569 HydrophobicContact CE2-CB 4.34Å; F532-A570 HydrophobicContact CE2-CB 4.25Å; F532-D573 HydrophobicContact CB-CB 4.49Å; F532-I576 HydrophobicContact CD1-CD1 4.11Å; F532-I576 HydrophobicContact CE1-CD1 3.62Å; F532-I576 HydrophobicContact CE2-CD1 4.18Å; F532-I576 HydrophobicContact CZ-CD1 3.64Å; F532-I609 HydrophobicContact CE1-CB 4.33Å; F532-I609 HydrophobicContact CZ-CD1 4.43Å; F532-I609 PolarHBondContact N-O 3.1Å; F532-I609 PolarHBondContact O-N 2.9Å; F532-F611 HydrophobicContact CE1-CD1 4.2Å; F532-F611 AromaticContact CE1-CD2 3.75Å; F532-F611 HydrophobicContact CE1-CD2 3.75Å; F532-F611 HydrophobicContact CE1-CE1 4.25Å; F532-F611 AromaticContact CE1-CE2 3.82Å; F532-F611 HydrophobicContact CE1-CE2 3.82Å; F532-F611 AromaticContact CE1-CG 3.97Å; F532-F611 HydrophobicContact CE1-CG 3.97Å; F532-F611 HydrophobicContact CE1-CZ 4.08Å; F532-F611 HydrophobicContact CZ-CD2 4.36Å; F532-F611 AromaticContact CZ-CE2 3.98Å; F532-F611 HydrophobicContact CZ-CE2 3.98Å; F532-F611 HydrophobicContact CZ-CZ 4.15Å
533	R	95.1	Very high	94.2	Very high	163 Å²	163	71.7 Å²	71.7	62%	0.615	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.1	-176.7	-165	-177.4	-174.6	164.2	2.3	111.2	G535 E607	R533-G535 PolarHBondContact O-N 3.42Å; R533-E607 CarbonylContact C-O 3.51Å; R533-E607 VanDerWaalsContact CA-O 3.29Å; R533-E607 WeakPolarHBondContact CA-O 3.38Å; R533-E607 HydrophobicContact CG-CG 3.87Å; R533-E607 VanDerWaalsContact CG-O 3.29Å; R533-E607 WeakPolarHBondContact CG-O 3.08Å; R533-E607 IonicContact CZ-OE1 3.19Å; R533-E607 IonicContact NE-OE1 2.92Å; R533-E607 PolarHBondContact NE-OE1 3.37Å; R533-E607 IonicContact NH2-OE1 2.66Å; R533-E607 PolarHBondContact NH2-OE1 3.2Å; R533-E607 IonicContact NH2-OE2 3.6Å
534	K	94.4	Very high	94.4	Very high	52 Å²	52	65.5 Å²	65.5	23%	0.226	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-59.7	130.7	173.5	-160.4	161.8	178.2	166.3	0	110.1	Q603 T605 G606 E607 I609	K534-Q603 PolarHBondContact NZ-O 3Å; K534-T605 WeakPolarHBondContact CE-OG1 3.31Å; K534-T605 PolarHBondContact NZ-O 2.91Å; K534-T605 PolarHBondContact NZ-OG1 2.94Å; K534-G606 WeakPolarHBondContact CD-O 3.44Å; K534-E607 PolarHBondContact N-O 3.18Å; K534-I609 HydrophobicContact CB-CD1 3.92Å; K534-I609 HydrophobicContact CB-CG1 4.3Å; K534-I609 HydrophobicContact CD-CD1 4.1Å; K534-I609 HydrophobicContact CG-CD1 4.08Å
535	G	91.2	Very high	94.6	Very high	29 Å²	29	60.1 Å²	60.1	30%	0.299	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-78.7	166.2	176.6	0	0	0	0	0	112.2	R533 N537 G538	R533-G535 PolarHBondContact O-N 3.42Å; G535-N537 PolarHBondContact O-N 2.95Å; G535-G538 VanDerWaalsContact CA-O 3.3Å; G535-G538 WeakPolarHBondContact CA-O 3.26Å; G535-G538 PolarHBondContact N-O 2.83Å; G535-G538 WeakPolarHBondContact O-CA 3.44Å; G535-G538 PolarHBondContact O-N 2.7Å
536	V	88.3	Confident	94.5	Very high	153 Å²	153	60.5 Å²	60.5	93%	0.927	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.3	173.6	-67.4	0	0	0	0	113.1
537	N	87.9	Confident	94.2	Very high	157 Å²	157	58.6 Å²	58.6	84%	0.84	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	21	174.5	-60.6	-5.6	0	0	0	112	G535	G535-N537 PolarHBondContact O-N 2.95Å
538	G	92.4	Very high	93.5	Very high	21 Å²	21	58.3 Å²	58.3	22%	0.216	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	80.1	-152.9	-172.6	0	0	0	0	0	113.5	G535	G535-G538 VanDerWaalsContact CA-O 3.3Å; G535-G538 WeakPolarHBondContact CA-O 3.26Å; G535-G538 PolarHBondContact N-O 2.83Å; G535-G538 WeakPolarHBondContact O-CA 3.44Å; G535-G538 PolarHBondContact O-N 2.7Å
539	L	95.7	Very high	92.8	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.089	35%	0.347	C	S	.	.			trans	-76.2	-28.5	-173.9	-60.9	86.8	0	0	0	112.9	F532 I541 A569 A570 L602 I609 F611	F532-L539 HydrophobicContact CZ-CD2 4.1Å; L539-I541 HydrophobicContact CB-CD1 4.41Å; L539-I541 HydrophobicContact CB-CG1 4.12Å; L539-I541 HydrophobicContact CD2-CD1 4.13Å; L539-A569 PolarHBondContact O-N 3.42Å; L539-A570 WeakPolarHBondContact O-CB 2.96Å; L539-A570 PolarHBondContact O-N 2.91Å; L539-L602 WeakPolarHBondContact CD1-O 3.43Å; L539-L602 HydrophobicContact CD2-CD2 4.04Å; L539-I609 HydrophobicContact CD1-CD1 4.33Å; L539-I609 HydrophobicContact CD2-CD1 3.61Å; L539-I609 HydrophobicContact CG-CD1 3.67Å; L539-F611 HydrophobicContact CD2-CE1 4.06Å; L539-F611 HydrophobicContact CD2-CZ 3.55Å
540	G	95.2	Very high	91.8	Very high	13 Å²	13	54.7 Å²	54.7	13%	0.134	32%	0.321	C	S	.	.			trans	73.7	32.7	-174.1	0	0	0	0	0	114.2	T565	G540-T565 WeakPolarHBondContact O-CB 3.42Å; G540-T565 PolarHBondContact O-N 2.96Å; G540-T565 PolarHBondContact O-OG1 3.3Å
541	I	96.3	Very high	90.4	Very high	32 Å²	32	59.3 Å²	59.3	16%	0.164	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.8	176	68.9	-178.4	0	0	0	110.8	L539 I543 L564 A570 I582 L602 F611	L539-I541 HydrophobicContact CB-CD1 4.41Å; L539-I541 HydrophobicContact CB-CG1 4.12Å; L539-I541 HydrophobicContact CD2-CD1 4.13Å; I541-I543 HydrophobicContact CD1-CG2 4.43Å; I541-L564 HydrophobicContact CG2-CD2 3.83Å; I541-A570 HydrophobicContact CG2-CB 3.36Å; I541-I582 HydrophobicContact CD1-CD1 3.92Å; I541-L602 HydrophobicContact CD1-CD1 4.47Å; I541-L602 HydrophobicContact CD1-CD2 4.26Å; I541-F611 HydrophobicContact CD1-CE2 4.15Å; I541-F611 HydrophobicContact CD1-CZ 4.08Å
542	S	95.9	Very high	89.1	Confident	48 Å²	48	58.3 Å²	58.3	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.5	166.9	-173.9	0	0	0	0	109.4	I561 K562 S563	S542-I561 CarbonylContact O-C 3.41Å; S542-I561 WeakPolarHBondContact O-CA 3.42Å; S542-K562 PolarHBondContact O-N 3.22Å; S542-S563 VanDerWaalsContact CB-OG 3.28Å; S542-S563 WeakPolarHBondContact CB-OG 3.46Å; S542-S563 PolarHBondContact N-O 3.26Å; S542-S563 PolarHBondContact O-N 3.29Å
543	I	95.9	Very high	88.1	Confident	25 Å²	25	60.8 Å²	60.8	13%	0.128	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	151.4	-177	60.3	157.7	0	0	0	112.9	I541 I559 F560 I582 Q595 A598 A599 L602	I541-I543 HydrophobicContact CD1-CG2 4.43Å; I543-I559 HydrophobicContact CB-CG2 4.02Å; I543-I559 HydrophobicContact CD1-CG2 3.87Å; I543-I559 HydrophobicContact CG2-CG2 4.09Å; I543-F560 CarbonylContact C-O 3.53Å; I543-F560 VanDerWaalsContact CA-O 3.27Å; I543-F560 WeakPolarHBondContact CA-O 3.47Å; I543-I582 HydrophobicContact CG2-CD1 3.9Å; I543-Q595 HydrophobicContact CD1-CG 4.22Å; I543-Q595 PolarHBondContact O-NE2 2.87Å; I543-A598 HydrophobicContact CD1-CB 4.08Å; I543-A599 HydrophobicContact CD1-CB 4.45Å; I543-L602 HydrophobicContact CD1-CD1 3.95Å; I543-L602 HydrophobicContact CG2-CD1 3.87Å
544	V	94.2	Very high	87.4	Confident	21 Å²	21	58.3 Å²	58.3	13%	0.127	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139	169	68	0	0	0	0	109.6	F560 K562 L628	V544-F560 HydrophobicContact CG1-CB 4.01Å; V544-F560 PolarHBondContact N-O 3.05Å; V544-F560 PolarHBondContact O-N 3.22Å; V544-K562 HydrophobicContact CB-CB 4.34Å; V544-K562 HydrophobicContact CG1-CB 4.44Å; V544-L628 HydrophobicContact CB-CD2 4.44Å; V544-L628 HydrophobicContact CG1-CD1 4Å; V544-L628 HydrophobicContact CG1-CD2 3.99Å; V544-L628 HydrophobicContact CG1-CG 4.25Å
545	G	94.2	Very high	87.1	Confident	15 Å²	15	59.5 Å²	59.5	16%	0.155	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.9	166.8	0	0	0	0	0	111.5	Q595	G545-Q595 VanDerWaalsContact N-OE1 3.16Å
546	S	91.8	Very high	87.2	Confident	34 Å²	34	59.3 Å²	59.3	24%	0.238	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.3	169.9	-158.6	0	0	0	0	110.3	S558	S546-S558 PolarHBondContact N-O 3.47Å; S546-S558 PolarHBondContact O-N 3.39Å
547	G	89.3	Confident	87.5	Confident	42 Å²	42	52.6 Å²	52.6	43%	0.433	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-140.1	-172.8	0	0	0	0	0	112.3	K556	G547-K556 WeakPolarHBondContact CA-O 3.14Å
548	V	81.7	Confident	87.9	Confident	94 Å²	94	45.3 Å²	45.3	57%	0.57	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.9	-174.4	178.9	0	0	0	0	110.8	K556	V548-K556 PolarHBondContact N-O 3.13Å; V548-K556 PolarHBondContact O-N 3.12Å; V548-K556 VanDerWaalsContact O-N 3.07Å
549	D	81.5	Confident	88.1	Confident	110 Å²	110	44.3 Å²	44.3	59%	0.588	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.3	165.9	-49.5	-63.3	0	0	0	109.4	Q555	D549-Q555 PolarHBondContact OD1-NE2 3.03Å; D549-Q555 VanDerWaalsContact OD1-NE2 3.09Å
550	T	77.1	Confident	88.2	Confident	17 Å²	17	44.2 Å²	44.2	10%	0.104	28%	0.284	C	S	.	.			trans	-77.2	166.6	178.5	66.7	0	0	0	0	111.4	S552 G553 E554 K556	T550-S552 PolarHBondContact O-N 3.28Å; T550-S552 PolarHBondContact OG1-OG 2.98Å; T550-G553 PolarHBondContact O-N 3.25Å; T550-E554 WeakPolarHBondContact CB-O 3.26Å; T550-E554 WeakPolarHBondContact CG2-O 3.37Å; T550-E554 PolarHBondContact N-O 3.16Å; T550-E554 PolarHBondContact OG1-N 3.09Å; T550-E554 PolarHBondContact OG1-O 3.46Å; T550-K556 HydrophobicContact CG2-CB 4.42Å; T550-K556 HydrophobicContact CG2-CG 3.76Å
551	S	68.2	Low	88.2	Confident	98 Å²	98	43.6 Å²	43.6	69%	0.685	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.6	179.6	44	0	0	0	0	115.2	L510	L510-S551 WeakPolarHBondContact CD1-OG 3.22Å
552	S	70.1	Confident	88.1	Confident	74 Å²	74	44.2 Å²	44.2	52%	0.517	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.3	170.2	56	0	0	0	0	112.8	T550 E554	T550-S552 PolarHBondContact O-N 3.28Å; T550-S552 PolarHBondContact OG1-OG 2.98Å; S552-E554 WeakPolarHBondContact OG-CG 3.39Å; S552-E554 PolarHBondContact OG-N 3.28Å
553	G	74.1	Confident	88.1	Confident	61 Å²	61	44.2 Å²	44.2	63%	0.629	28%	0.279	S	S	*	.	S	Bend	trans	91.4	-1.7	-169	0	0	0	0	0	113.7	T550	T550-G553 PolarHBondContact O-N 3.25Å
554	E	80	Confident	88.1	Confident	112 Å²	112	45 Å²	45	52%	0.523	28%	0.283	S	S	.	.			trans	-73.8	139.4	171.9	-63.4	176.4	159.3	0	0	110.7	S511 T550 S552	S511-E554 PolarHBondContact OG-OE2 3.42Å; T550-E554 WeakPolarHBondContact CB-O 3.26Å; T550-E554 WeakPolarHBondContact CG2-O 3.37Å; T550-E554 PolarHBondContact N-O 3.16Å; T550-E554 PolarHBondContact OG1-N 3.09Å; T550-E554 PolarHBondContact OG1-O 3.46Å; S552-E554 WeakPolarHBondContact OG-CG 3.39Å; S552-E554 PolarHBondContact OG-N 3.28Å
555	Q	88.3	Confident	88.1	Confident	76 Å²	76	47.7 Å²	47.7	36%	0.355	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.9	178.7	-53	-168.2	-55.5	0	0	110.2	D549 L557 V593	D549-Q555 PolarHBondContact OD1-NE2 3.03Å; D549-Q555 VanDerWaalsContact OD1-NE2 3.09Å; Q555-L557 HydrophobicContact CB-CD1 3.98Å; Q555-L557 HydrophobicContact CB-CD2 4.22Å; Q555-L557 HydrophobicContact CB-CG 3.9Å; Q555-V593 CarbonylContact O-C 3.55Å
556	K	93.8	Very high	88.1	Confident	26 Å²	26	51.7 Å²	51.7	11%	0.113	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	101.8	170.1	-70	-60.7	-170.6	173.4	0	108.3	S511 A514 E515 L518 G547 V548 T550 G592	S511-K556 WeakPolarHBondContact OG-CE 3.36Å; A514-K556 HydrophobicContact CB-CB 3.93Å; A514-K556 HydrophobicContact CB-CG 4.05Å; E515-K556 HydrophobicContact CB-CD 4.28Å; E515-K556 IonicContact OE1-NZ 2.71Å; E515-K556 PolarHBondContact OE1-NZ 3.04Å; E515-K556 WeakPolarHBondContact OE2-CE 3.28Å; E515-K556 IonicContact OE2-NZ 3.89Å; E515-K556 PolarHBondContact OE2-NZ 3.04Å; L518-K556 HydrophobicContact CD1-CB 4.2Å; G547-K556 WeakPolarHBondContact CA-O 3.14Å; V548-K556 PolarHBondContact N-O 3.13Å; V548-K556 PolarHBondContact O-N 3.12Å; V548-K556 VanDerWaalsContact O-N 3.07Å; T550-K556 HydrophobicContact CG2-CB 4.42Å; T550-K556 HydrophobicContact CG2-CG 3.76Å; K556-G592 WeakPolarHBondContact CD-O 3.27Å; K556-G592 WeakPolarHBondContact CE-O 3.28Å; K556-G592 PolarHBondContact NZ-O 3.37Å
557	L	94.9	Very high	88.2	Confident	11 Å²	11	53.4 Å²	53.4	6%	0.058	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.8	-172.8	-45.6	173.7	0	0	0	111.6	Q555 I559 G592 V593 Q595	Q555-L557 HydrophobicContact CB-CD1 3.98Å; Q555-L557 HydrophobicContact CB-CD2 4.22Å; Q555-L557 HydrophobicContact CB-CG 3.9Å; L557-I559 HydrophobicContact CB-CD1 4.39Å; L557-G592 PolarHBondContact O-N 2.96Å; L557-V593 VanDerWaalsContact CB-O 3.31Å; L557-V593 WeakPolarHBondContact CB-O 3.19Å; L557-V593 PolarHBondContact N-O 3.1Å; L557-V593 PolarHBondContact O-N 3.43Å; L557-Q595 HydrophobicContact CD1-CB 4.08Å
558	S	95.6	Very high	88.4	Confident	5 Å²	5	51.9 Å²	51.9	4%	0.035	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.9	154.4	-78.3	0	0	0	0	109.3	S546 F560 Q581	S546-S558 PolarHBondContact N-O 3.47Å; S546-S558 PolarHBondContact O-N 3.39Å; S558-F560 WeakPolarHBondContact O-CD2 3.49Å; S558-Q581 PolarHBondContact OG-NE2 3.08Å; S558-Q581 VanDerWaalsContact OG-NE2 3.15Å; S558-Q581 PolarHBondContact OG-OE1 2.9Å
559	I	97	Very high	89	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.6	-174.6	-55.8	-61.8	0	0	0	110.1	I543 L557 Q581 I582 L590 V593 A598	I543-I559 HydrophobicContact CB-CG2 4.02Å; I543-I559 HydrophobicContact CD1-CG2 3.87Å; I543-I559 HydrophobicContact CG2-CG2 4.09Å; L557-I559 HydrophobicContact CB-CD1 4.39Å; I559-Q581 WeakPolarHBondContact O-CA 3.38Å; I559-Q581 WeakPolarHBondContact O-CG 3.49Å; I559-I582 PolarHBondContact O-N 3Å; I559-L590 HydrophobicContact CG1-CB 4.27Å; I559-L590 WeakPolarHBondContact CG1-O 3.29Å; I559-V593 HydrophobicContact CD1-CG2 4.33Å; I559-V593 HydrophobicContact CG1-CG2 4.09Å; I559-A598 HydrophobicContact CD1-CB 3.67Å; I559-A598 HydrophobicContact CG1-CB 3.67Å; I559-A598 HydrophobicContact CG2-CB 4.14Å
560	F	96.3	Very high	89.7	Confident	15 Å²	15	43.1 Å²	43.1	7%	0.066	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	153.9	-177	-59	-88.8	0	0	0	112.3	I543 V544 S558 K562 D580 Q581 I624	I543-F560 CarbonylContact C-O 3.53Å; I543-F560 VanDerWaalsContact CA-O 3.27Å; I543-F560 WeakPolarHBondContact CA-O 3.47Å; V544-F560 HydrophobicContact CG1-CB 4.01Å; V544-F560 PolarHBondContact N-O 3.05Å; V544-F560 PolarHBondContact O-N 3.22Å; S558-F560 WeakPolarHBondContact O-CD2 3.49Å; F560-K562 PolarHBondContact O-N 3.5Å; F560-D580 CarbonylContact C-O 3.56Å; F560-D580 VanDerWaalsContact CA-O 3.28Å; F560-D580 WeakPolarHBondContact CA-O 3.41Å; F560-Q581 HydrophobicContact CD1-CB 3.72Å; F560-Q581 HydrophobicContact CD1-CG 4.07Å; F560-Q581 HydrophobicContact CE1-CB 3.57Å; F560-Q581 HydrophobicContact CE1-CG 3.81Å; F560-Q581 HydrophobicContact CZ-CB 4.39Å; F560-Q581 HydrophobicContact CZ-CG 4.15Å; F560-I624 HydrophobicContact CB-CG2 4.06Å; F560-I624 HydrophobicContact CD1-CB 4.44Å; F560-I624 HydrophobicContact CD1-CD1 4.5Å; F560-I624 HydrophobicContact CD1-CG1 4Å; F560-I624 HydrophobicContact CD1-CG2 3.98Å; F560-I624 HydrophobicContact CD2-CD1 3.68Å; F560-I624 HydrophobicContact CD2-CG1 4.09Å; F560-I624 HydrophobicContact CD2-CG2 4.37Å; F560-I624 HydrophobicContact CE1-CD1 4.3Å; F560-I624 HydrophobicContact CE1-CG1 3.72Å; F560-I624 HydrophobicContact CE2-CD1 3.43Å; F560-I624 VanDerWaalsContact CE2-CD1 3.43Å; F560-I624 HydrophobicContact CE2-CG1 3.82Å; F560-I624 HydrophobicContact CG-CD1 4.21Å; F560-I624 HydrophobicContact CG-CG1 4.18Å; F560-I624 HydrophobicContact CG-CG2 3.88Å; F560-I624 HydrophobicContact CZ-CD1 3.78Å; F560-I624 HydrophobicContact CZ-CG1 3.63Å
561	I	96.3	Very high	90.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111.9	175.4	-60.7	-176.5	0	0	0	109.9	S542 L564 I576 Y579 D580 I582	S542-I561 CarbonylContact O-C 3.41Å; S542-I561 WeakPolarHBondContact O-CA 3.42Å; I561-L564 HydrophobicContact CG2-CD2 3.88Å; I561-I576 HydrophobicContact CD1-CG2 3.24Å; I561-Y579 PolarHBondContact O-N 3Å; I561-D580 HydrophobicContact CD1-CB 4.18Å; I561-D580 HydrophobicContact CG1-CB 4.5Å; I561-D580 PolarHBondContact N-O 2.99Å; I561-I582 HydrophobicContact CD1-CD1 4.44Å; I561-I582 HydrophobicContact CD1-CG1 4.35Å; I561-I582 HydrophobicContact CG1-CD1 4.12Å; I561-I582 HydrophobicContact CG1-CG1 4.1Å
562	K	94.7	Very high	91.9	Very high	44 Å²	44	45.5 Å²	45.5	19%	0.191	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-41.6	173.8	170.2	165.6	-177.1	-172.9	0	111.6	S542 V544 F560 V578 L628 E635	S542-K562 PolarHBondContact O-N 3.22Å; V544-K562 HydrophobicContact CB-CB 4.34Å; V544-K562 HydrophobicContact CG1-CB 4.44Å; F560-K562 PolarHBondContact O-N 3.5Å; K562-V578 WeakPolarHBondContact O-CG1 3.37Å; K562-L628 HydrophobicContact CB-CD2 3.93Å; K562-L628 HydrophobicContact CD-CD2 3.95Å; K562-L628 HydrophobicContact CG-CD2 3.71Å; K562-E635 IonicContact NZ-OE1 2.67Å; K562-E635 PolarHBondContact NZ-OE1 2.97Å; K562-E635 IonicContact NZ-OE2 2.73Å; K562-E635 PolarHBondContact NZ-OE2 3.07Å
563	S	94.8	Very high	93.1	Very high	48 Å²	48	44.3 Å²	44.3	34%	0.336	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	160.3	179.5	61.6	0	0	0	0	112.7	S542	S542-S563 VanDerWaalsContact CB-OG 3.28Å; S542-S563 WeakPolarHBondContact CB-OG 3.46Å; S542-S563 PolarHBondContact N-O 3.26Å; S542-S563 PolarHBondContact O-N 3.29Å
564	L	95.8	Very high	94	Very high	42 Å²	42	43.7 Å²	43.7	22%	0.22	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.2	168.6	-57	179.1	0	0	0	109.2	I541 I561 A570 E571 I576 V578	I541-L564 HydrophobicContact CG2-CD2 3.83Å; I561-L564 HydrophobicContact CG2-CD2 3.88Å; L564-A570 HydrophobicContact CD2-CB 4.17Å; L564-E571 HydrophobicContact CB-CB 4.45Å; L564-I576 HydrophobicContact CD2-CG2 4.16Å; L564-V578 HydrophobicContact CG-CG2 4.18Å
565	T	95.7	Very high	94.8	Very high	77 Å²	77	43.5 Å²	43.5	47%	0.472	28%	0.275	S	S	.	.			trans	-90.1	127	175.4	-54.6	0	0	0	0	109.2	G540 G567 G568	G540-T565 WeakPolarHBondContact O-CB 3.42Å; G540-T565 PolarHBondContact O-N 2.96Å; G540-T565 PolarHBondContact O-OG1 3.3Å; T565-G567 PolarHBondContact O-N 3.41Å; T565-G568 WeakPolarHBondContact O-CA 3.49Å; T565-G568 PolarHBondContact O-N 3.1Å
566	S	93.8	Very high	95.2	Very high	100 Å²	100	40 Å²	40	70%	0.699	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	132	-177.7	-63.7	0	0	0	0	113.7	G568 E571	S566-G568 PolarHBondContact O-N 3.35Å; S566-E571 VanDerWaalsContact CA-OE1 3.27Å; S566-E571 WeakPolarHBondContact CA-OE1 3.31Å; S566-E571 VanDerWaalsContact CA-OE2 3.28Å; S566-E571 WeakPolarHBondContact CA-OE2 3.49Å; S566-E571 WeakPolarHBondContact CB-OE1 3.35Å; S566-E571 PolarHBondContact OG-OE1 2.84Å
567	G	92.4	Very high	95.3	Very high	70 Å²	70	42.9 Å²	42.9	72%	0.722	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	6.6	-166.2	0	0	0	0	0	114.7	T565 E571	T565-G567 PolarHBondContact O-N 3.41Å; G567-E571 PolarHBondContact N-OE2 2.96Å
568	G	94.1	Very high	95.3	Very high	10 Å²	10	44.6 Å²	44.6	10%	0.103	28%	0.283	C	S	.	.			trans	-75.6	162.5	175.5	0	0	0	0	0	112.9	T565 S566 A570 E571 A572	T565-G568 WeakPolarHBondContact O-CA 3.49Å; T565-G568 PolarHBondContact O-N 3.1Å; S566-G568 PolarHBondContact O-N 3.35Å; G568-A570 PolarHBondContact O-N 3.46Å; G568-E571 PolarHBondContact O-N 3.48Å; G568-A572 WeakPolarHBondContact O-CB 3.49Å; G568-A572 PolarHBondContact O-N 2.7Å
569	A	95.5	Very high	95.2	Very high	19 Å²	19	47 Å²	47	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-41.4	-174.3	0	0	0	0	0	113.3	F532 L539 A572 D573	F532-A569 HydrophobicContact CD2-CB 4.44Å; F532-A569 HydrophobicContact CE2-CB 4.34Å; L539-A569 PolarHBondContact O-N 3.42Å; A569-A572 PolarHBondContact O-N 2.86Å; A569-D573 WeakPolarHBondContact O-CB 3.36Å; A569-D573 PolarHBondContact O-N 3.09Å
570	A	95.9	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-35.9	176.8	0	0	0	0	0	113.6	F532 L539 I541 L564 G568 D573 G574 I576	F532-A570 HydrophobicContact CE2-CB 4.25Å; L539-A570 WeakPolarHBondContact O-CB 2.96Å; L539-A570 PolarHBondContact O-N 2.91Å; I541-A570 HydrophobicContact CG2-CB 3.36Å; L564-A570 HydrophobicContact CD2-CB 4.17Å; G568-A570 PolarHBondContact O-N 3.46Å; A570-D573 PolarHBondContact O-N 3.02Å; A570-G574 PolarHBondContact O-N 2.8Å; A570-G574 VanDerWaalsContact O-N 3.09Å; A570-I576 HydrophobicContact CB-CB 4.35Å; A570-I576 HydrophobicContact CB-CD1 3.94Å; A570-I576 HydrophobicContact CB-CG2 4.37Å
571	E	95.6	Very high	95.2	Very high	81 Å²	81	46.4 Å²	46.4	38%	0.379	29%	0.29	S	S	.	.	H	α-helix	trans	-70	-39.8	174.8	-166.4	-164	-112.1	0	0	111	L564 S566 G567 G568 D573 G574	L564-E571 HydrophobicContact CB-CB 4.45Å; S566-E571 VanDerWaalsContact CA-OE1 3.27Å; S566-E571 WeakPolarHBondContact CA-OE1 3.31Å; S566-E571 VanDerWaalsContact CA-OE2 3.28Å; S566-E571 WeakPolarHBondContact CA-OE2 3.49Å; S566-E571 WeakPolarHBondContact CB-OE1 3.35Å; S566-E571 PolarHBondContact OG-OE1 2.84Å; G567-E571 PolarHBondContact N-OE2 2.96Å; G568-E571 PolarHBondContact O-N 3.48Å; E571-D573 VanDerWaalsContact C-N 3.28Å; E571-D573 PolarHBondContact O-N 3.18Å; E571-G574 PolarHBondContact O-N 3.03Å
572	A	94.7	Very high	95.3	Very high	85 Å²	85	46.4 Å²	46.4	70%	0.702	29%	0.29	S	S	*	.	H	α-helix	trans	-68	-25.8	176.9	0	0	0	0	0	113.5	G568 A569	G568-A572 WeakPolarHBondContact O-CB 3.49Å; G568-A572 PolarHBondContact O-N 2.7Å; A569-A572 PolarHBondContact O-N 2.86Å
573	D	94.9	Very high	95.4	Very high	49 Å²	49	45 Å²	45	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-77.6	-39.1	171.4	-173.2	-89	0	0	0	112.5	F532 A569 A570 E571 R575	F532-D573 HydrophobicContact CB-CB 4.49Å; A569-D573 WeakPolarHBondContact O-CB 3.36Å; A569-D573 PolarHBondContact O-N 3.09Å; A570-D573 PolarHBondContact O-N 3.02Å; E571-D573 VanDerWaalsContact C-N 3.28Å; E571-D573 PolarHBondContact O-N 3.18Å; D573-R575 PolarHBondContact O-N 3.26Å; D573-R575 VanDerWaalsContact O-N 3.1Å; D573-R575 WeakPolarHBondContact OD1-CB 3.31Å; D573-R575 WeakPolarHBondContact OD1-CG 3.44Å; D573-R575 IonicContact OD1-CZ 3.51Å; D573-R575 PolarHBondContact OD1-N 3.32Å; D573-R575 IonicContact OD1-NE 3.48Å; D573-R575 PolarHBondContact OD1-NE 2.97Å; D573-R575 IonicContact OD1-NH2 2.69Å; D573-R575 PolarHBondContact OD1-NH2 3.27Å; D573-R575 IonicContact OD2-CZ 2.75Å; D573-R575 IonicContact OD2-NE 3.37Å; D573-R575 PolarHBondContact OD2-NE 3.36Å; D573-R575 IonicContact OD2-NH2 3.47Å; D573-R575 PolarHBondContact OD2-NH2 3.36Å
574	G	94.7	Very high	95.5	Very high	48 Å²	48	46 Å²	46	50%	0.495	28%	0.284	S	S	.	.			trans	73.5	-6.4	170.4	0	0	0	0	0	116.5	A570 E571	A570-G574 PolarHBondContact O-N 2.8Å; A570-G574 VanDerWaalsContact O-N 3.09Å; E571-G574 PolarHBondContact O-N 3.03Å
575	R	96.1	Very high	95.6	Very high	107 Å²	107	44 Å²	44	40%	0.404	27%	0.273	S	S	.	.	S	Bend	trans	-76.2	-35.5	172.6	-65.7	176.7	-77.1	172.3	-5.6	112.2	I530 D531 D573 R615	I530-R575 HydrophobicContact CD1-CB 4.29Å; I530-R575 VanDerWaalsContact CG2-CZ 3.49Å; D531-R575 PolarHBondContact O-NH2 2.93Å; D573-R575 PolarHBondContact O-N 3.26Å; D573-R575 VanDerWaalsContact O-N 3.1Å; D573-R575 WeakPolarHBondContact OD1-CB 3.31Å; D573-R575 WeakPolarHBondContact OD1-CG 3.44Å; D573-R575 IonicContact OD1-CZ 3.51Å; D573-R575 PolarHBondContact OD1-N 3.32Å; D573-R575 IonicContact OD1-NE 3.48Å; D573-R575 PolarHBondContact OD1-NE 2.97Å; D573-R575 IonicContact OD1-NH2 2.69Å; D573-R575 PolarHBondContact OD1-NH2 3.27Å; D573-R575 IonicContact OD2-CZ 2.75Å; D573-R575 IonicContact OD2-NE 3.37Å; D573-R575 PolarHBondContact OD2-NE 3.36Å; D573-R575 IonicContact OD2-NH2 3.47Å; D573-R575 PolarHBondContact OD2-NH2 3.36Å; R575-R615 PolarHBondContact O-NH2 3.04Å
576	I	96.3	Very high	95.7	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	27%	0.266	C	S	.	.			trans	-77.1	136.7	178.2	-59.5	174	0	0	0	109.5	I530 F532 I561 L564 A570 F611	I530-I576 HydrophobicContact CD1-CD1 4.44Å; I530-I576 HydrophobicContact CD1-CG1 3.58Å; I530-I576 HydrophobicContact CG2-CG1 4.43Å; F532-I576 HydrophobicContact CD1-CD1 4.11Å; F532-I576 HydrophobicContact CE1-CD1 3.62Å; F532-I576 HydrophobicContact CE2-CD1 4.18Å; F532-I576 HydrophobicContact CZ-CD1 3.64Å; I561-I576 HydrophobicContact CD1-CG2 3.24Å; L564-I576 HydrophobicContact CD2-CG2 4.16Å; A570-I576 HydrophobicContact CB-CB 4.35Å; A570-I576 HydrophobicContact CB-CD1 3.94Å; A570-I576 HydrophobicContact CB-CG2 4.37Å; I576-F611 HydrophobicContact CD1-CD2 4Å; I576-F611 HydrophobicContact CD1-CE2 4.14Å
577	Q	95.3	Very high	95.7	Very high	87 Å²	87	40.7 Å²	40.7	41%	0.407	26%	0.256	S	S	.	.			trans	-132.3	163.6	-176.8	-64.9	179.2	5	0	0	111.8	D580	Q577-D580 PolarHBondContact N-OD2 3.25Å; Q577-D580 WeakPolarHBondContact O-CB 3.49Å; Q577-D580 PolarHBondContact O-N 2.96Å
578	V	95	Very high	95.9	Very high	47 Å²	47	42.6 Å²	42.6	29%	0.285	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	145.1	170.1	-176.9	0	0	0	0	109.1	K562 L564 D580	K562-V578 WeakPolarHBondContact O-CG1 3.37Å; L564-V578 HydrophobicContact CG-CG2 4.18Å; V578-D580 VanDerWaalsContact C-N 3.26Å; V578-D580 PolarHBondContact O-N 3.49Å
579	Y	94.6	Very high	96	Very high	54 Å²	54	45 Å²	45	21%	0.212	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	-1.4	-172.6	-39.1	-52.9	0	0	0	116.4	I561 I624 A625 L628	I561-Y579 PolarHBondContact O-N 3Å; Y579-I624 HydrophobicContact CD1-CG2 4.3Å; Y579-A625 HydrophobicContact CD1-CB 4.03Å; Y579-A625 HydrophobicContact CD2-CB 3.81Å; Y579-A625 HydrophobicContact CE1-CB 3.94Å; Y579-A625 HydrophobicContact CE2-CB 3.69Å; Y579-A625 HydrophobicContact CG-CB 3.97Å; Y579-L628 HydrophobicContact CD1-CB 4.45Å; Y579-L628 HydrophobicContact CD1-CD1 3.61Å; Y579-L628 HydrophobicContact CE1-CB 3.85Å; Y579-L628 HydrophobicContact CE1-CD1 3.76Å; Y579-L628 HydrophobicContact CE1-CG 4.47Å
580	D	96.2	Very high	96.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.254	C	S	.	.			trans	-61.1	140.6	167.9	-77.2	-10.3	0	0	0	111.2	F560 I561 Q577 V578 I613 R615	F560-D580 CarbonylContact C-O 3.56Å; F560-D580 VanDerWaalsContact CA-O 3.28Å; F560-D580 WeakPolarHBondContact CA-O 3.41Å; I561-D580 HydrophobicContact CD1-CB 4.18Å; I561-D580 HydrophobicContact CG1-CB 4.5Å; I561-D580 PolarHBondContact N-O 2.99Å; Q577-D580 PolarHBondContact N-OD2 3.25Å; Q577-D580 WeakPolarHBondContact O-CB 3.49Å; Q577-D580 PolarHBondContact O-N 2.96Å; V578-D580 VanDerWaalsContact C-N 3.26Å; V578-D580 PolarHBondContact O-N 3.49Å; D580-I613 HydrophobicContact CB-CG2 3.73Å; D580-R615 VanDerWaalsContact CG-NH2 3.3Å; D580-R615 IonicContact OD1-CZ 3.72Å; D580-R615 VanDerWaalsContact OD1-CZ 3.3Å; D580-R615 IonicContact OD1-NE 2.69Å; D580-R615 PolarHBondContact OD1-NE 3.08Å; D580-R615 IonicContact OD1-NH2 2.73Å; D580-R615 PolarHBondContact OD1-NH2 2.96Å; D580-R615 IonicContact OD2-CZ 2.77Å; D580-R615 IonicContact OD2-NE 3.06Å; D580-R615 IonicContact OD2-NH2 3.3Å; D580-R615 PolarHBondContact OD2-NH2 3.27Å
581	Q	96.6	Very high	96.1	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.014	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.9	167.6	-166.2	179.1	-46.1	0	0	110.1	M525 S558 I559 F560 I613 A614	M525-Q581 HydrophobicContact CE-CB 4.21Å; S558-Q581 PolarHBondContact OG-NE2 3.08Å; S558-Q581 VanDerWaalsContact OG-NE2 3.15Å; S558-Q581 PolarHBondContact OG-OE1 2.9Å; I559-Q581 WeakPolarHBondContact O-CA 3.38Å; I559-Q581 WeakPolarHBondContact O-CG 3.49Å; F560-Q581 HydrophobicContact CD1-CB 3.72Å; F560-Q581 HydrophobicContact CD1-CG 4.07Å; F560-Q581 HydrophobicContact CE1-CB 3.57Å; F560-Q581 HydrophobicContact CE1-CG 3.81Å; F560-Q581 HydrophobicContact CZ-CB 4.39Å; F560-Q581 HydrophobicContact CZ-CG 4.15Å; Q581-I613 WeakPolarHBondContact O-CA 3.42Å; Q581-A614 HydrophobicContact CB-CB 4.39Å; Q581-A614 PolarHBondContact N-O 2.74Å; Q581-A614 PolarHBondContact O-N 2.64Å
582	I	97.8	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	111.9	169.3	-46.3	178.6	0	0	0	107.5	I541 I543 I559 I561 V585 L590 L602 F611 I613	I541-I582 HydrophobicContact CD1-CD1 3.92Å; I543-I582 HydrophobicContact CG2-CD1 3.9Å; I559-I582 PolarHBondContact O-N 3Å; I561-I582 HydrophobicContact CD1-CD1 4.44Å; I561-I582 HydrophobicContact CD1-CG1 4.35Å; I561-I582 HydrophobicContact CG1-CD1 4.12Å; I561-I582 HydrophobicContact CG1-CG1 4.1Å; I582-V585 HydrophobicContact CG2-CG2 3.47Å; I582-V585 VanDerWaalsContact CG2-CG2 3.47Å; I582-L590 HydrophobicContact CB-CD1 4.49Å; I582-L590 HydrophobicContact CG2-CD1 3.95Å; I582-L602 HydrophobicContact CD1-CD1 4.23Å; I582-L602 HydrophobicContact CD1-CD2 4.35Å; I582-F611 HydrophobicContact CD1-CE2 4.35Å; I582-I613 HydrophobicContact CB-CD1 4.26Å; I582-I613 HydrophobicContact CG1-CD1 4.04Å; I582-I613 HydrophobicContact CG2-CD1 4.25Å
583	V	97.8	Very high	96.1	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.079	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-43.5	-178.3	179.6	0	0	0	0	110.8	L522 M527 L590 V591 V612 A614	L522-V583 HydrophobicContact CD1-CG1 3.8Å; L522-V583 HydrophobicContact CD1-CG2 4.07Å; L522-V583 HydrophobicContact CD2-CG2 3.76Å; M527-V583 HydrophobicContact CE-CG1 4.04Å; M527-V583 HydrophobicContact CE-CG2 4.47Å; V583-L590 PolarHBondContact O-N 3.26Å; V583-V591 HydrophobicContact CG1-CG2 3.85Å; V583-V612 HydrophobicContact CB-CB 4.37Å; V583-V612 HydrophobicContact CB-CG1 4.22Å; V583-V612 WeakPolarHBondContact CB-O 3.43Å; V583-V612 PolarHBondContact N-O 2.81Å; V583-A614 HydrophobicContact CG2-CB 3.62Å
584	Q	97.7	Very high	96.1	Very high	69 Å²	69	37.2 Å²	37.2	32%	0.322	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.8	-177.1	-156.5	178.9	11.7	0	0	111.1	G587 H588 F611 V612	Q584-G587 PolarHBondContact NE2-O 3.07Å; Q584-H588 CarbonylContact C-O 3.55Å; Q584-H588 VanDerWaalsContact CA-O 3.25Å; Q584-H588 WeakPolarHBondContact CA-O 3.46Å; Q584-H588 VanDerWaalsContact CG-O 3.27Å; Q584-H588 WeakPolarHBondContact CG-O 3.34Å; Q584-F611 WeakPolarHBondContact O-CA 3.48Å; Q584-V612 HydrophobicContact CB-CB 3.74Å; Q584-V612 HydrophobicContact CB-CG2 3.76Å; Q584-V612 PolarHBondContact N-O 2.86Å; Q584-V612 PolarHBondContact O-N 3.3Å
585	V	97.8	Very high	96.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121	178	177.5	0	0	0	0	109.7	I582 G587 H588 L590 V601 L602 T605 I609 H610 F611	I582-V585 HydrophobicContact CG2-CG2 3.47Å; I582-V585 VanDerWaalsContact CG2-CG2 3.47Å; V585-G587 PolarHBondContact O-N 3.31Å; V585-H588 PolarHBondContact N-O 2.99Å; V585-H588 WeakPolarHBondContact O-CB 3.38Å; V585-H588 PolarHBondContact O-N 3.28Å; V585-L590 HydrophobicContact CB-CD1 4.34Å; V585-L590 HydrophobicContact CG2-CD1 3.54Å; V585-L590 HydrophobicContact CG2-CG 4.27Å; V585-V601 HydrophobicContact CB-CG1 3.97Å; V585-V601 HydrophobicContact CG1-CG1 4.02Å; V585-L602 HydrophobicContact CG1-CD2 4.37Å; V585-L602 HydrophobicContact CG2-CD2 3.94Å; V585-T605 HydrophobicContact CG1-CG2 3.37Å; V585-I609 HydrophobicContact CG1-CG2 4.12Å; V585-H610 WeakPolarHBondContact CA-O 3.17Å; V585-F611 HydrophobicContact CB-CD1 4.3Å; V585-F611 HydrophobicContact CB-CE1 4.23Å; V585-F611 HydrophobicContact CG1-CD1 4.08Å; V585-F611 HydrophobicContact CG1-CE1 3.76Å; V585-F611 HydrophobicContact CG2-CD1 3.76Å; V585-F611 HydrophobicContact CG2-CE1 3.57Å; V585-F611 HydrophobicContact CG2-CZ 4.35Å
586	D	95.8	Very high	96.1	Very high	62 Å²	62	40 Å²	40	33%	0.332	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	30.2	178.9	-63.1	-17	0	0	0	113.3	T605 G606 I609 H610	D586-T605 WeakPolarHBondContact OD2-CA 3.05Å; D586-T605 WeakPolarHBondContact OD2-CG2 3.37Å; D586-G606 PolarHBondContact OD2-N 3.43Å; D586-I609 WeakPolarHBondContact OD1-CA 3.26Å; D586-I609 WeakPolarHBondContact OD1-CG2 3.4Å; D586-H610 PolarHBondContact N-O 3.45Å; D586-H610 PolarHBondContact OD1-N 2.63Å
587	G	94.9	Very high	96	Very high	47 Å²	47	44 Å²	44	49%	0.485	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-16.9	-176.5	0	0	0	0	0	115.5	Q584 V585	Q584-G587 PolarHBondContact NE2-O 3.07Å; V585-G587 PolarHBondContact O-N 3.31Å
588	H	96.6	Very high	96.1	Very high	109 Å²	109	39.9 Å²	39.9	51%	0.505	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.6	178.2	-60.5	-74	0	0	0	112	Q584 V585 V601	Q584-H588 CarbonylContact C-O 3.55Å; Q584-H588 VanDerWaalsContact CA-O 3.25Å; Q584-H588 WeakPolarHBondContact CA-O 3.46Å; Q584-H588 VanDerWaalsContact CG-O 3.27Å; Q584-H588 WeakPolarHBondContact CG-O 3.34Å; V585-H588 PolarHBondContact N-O 2.99Å; V585-H588 WeakPolarHBondContact O-CB 3.38Å; V585-H588 PolarHBondContact O-N 3.28Å; H588-V601 HydrophobicContact CB-CG1 4.12Å
589	S	96.8	Very high	96.2	Very high	61 Å²	61	39 Å²	39	43%	0.427	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	138.2	170.1	-177.9	0	0	0	0	111	V591	S589-V591 PolarHBondContact OG-N 3.46Å
590	L	97.4	Very high	96.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.			trans	-115.1	18.1	171.6	-60.4	-172.2	0	0	0	112.2	I559 I582 V583 V585 V593 F597 A598 V601	I559-L590 HydrophobicContact CG1-CB 4.27Å; I559-L590 WeakPolarHBondContact CG1-O 3.29Å; I582-L590 HydrophobicContact CB-CD1 4.49Å; I582-L590 HydrophobicContact CG2-CD1 3.95Å; V583-L590 PolarHBondContact O-N 3.26Å; V585-L590 HydrophobicContact CB-CD1 4.34Å; V585-L590 HydrophobicContact CG2-CD1 3.54Å; V585-L590 HydrophobicContact CG2-CG 4.27Å; L590-V593 HydrophobicContact CB-CG2 4.29Å; L590-V593 HydrophobicContact CD2-CG2 4.3Å; L590-V593 WeakPolarHBondContact O-CG2 3.44Å; L590-F597 HydrophobicContact CD2-CD1 4.3Å; L590-F597 HydrophobicContact CD2-CE1 4.21Å; L590-A598 HydrophobicContact CD1-CB 4.22Å; L590-A598 HydrophobicContact CD2-CB 4.15Å; L590-V601 HydrophobicContact CD2-CB 4.09Å; L590-V601 HydrophobicContact CD2-CG1 4.2Å; L590-V601 HydrophobicContact CD2-CG2 4.11Å
591	V	96	Very high	96.3	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.048	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	134.3	169	-169.3	0	0	0	0	108.5	L518 E519 L522 V583 S589 V593	L518-V591 HydrophobicContact CB-CG1 3.95Å; E519-V591 HydrophobicContact CG-CG1 3.97Å; L522-V591 HydrophobicContact CD1-CG2 3.74Å; V583-V591 HydrophobicContact CG1-CG2 3.85Å; S589-V591 PolarHBondContact OG-N 3.46Å; V591-V593 VanDerWaalsContact C-N 3.34Å; V591-V593 PolarHBondContact O-N 3.07Å
592	G	95.1	Very high	96.3	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	30.1	175.6	0	0	0	0	0	114	K556 L557	K556-G592 WeakPolarHBondContact CD-O 3.27Å; K556-G592 WeakPolarHBondContact CE-O 3.28Å; K556-G592 PolarHBondContact NZ-O 3.37Å; L557-G592 PolarHBondContact O-N 2.96Å
593	V	94.8	Very high	96.2	Very high	22 Å²	22	48.7 Å²	48.7	13%	0.133	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-115.4	167.3	179.1	-54.8	0	0	0	0	112	Q555 L557 I559 L590 V591 F597 A598	Q555-V593 CarbonylContact O-C 3.55Å; L557-V593 VanDerWaalsContact CB-O 3.31Å; L557-V593 WeakPolarHBondContact CB-O 3.19Å; L557-V593 PolarHBondContact N-O 3.1Å; L557-V593 PolarHBondContact O-N 3.43Å; I559-V593 HydrophobicContact CD1-CG2 4.33Å; I559-V593 HydrophobicContact CG1-CG2 4.09Å; L590-V593 HydrophobicContact CB-CG2 4.29Å; L590-V593 HydrophobicContact CD2-CG2 4.3Å; L590-V593 WeakPolarHBondContact O-CG2 3.44Å; V591-V593 VanDerWaalsContact C-N 3.34Å; V591-V593 PolarHBondContact O-N 3.07Å; V593-F597 HydrophobicContact CB-CD1 3.76Å; V593-F597 HydrophobicContact CB-CE1 4.47Å; V593-F597 HydrophobicContact CG1-CD1 3.82Å; V593-F597 HydrophobicContact CG1-CE1 4.03Å; V593-F597 HydrophobicContact CG2-CD1 4.07Å; V593-A598 HydrophobicContact CG2-CB 4.11Å
594	S	94.7	Very high	96	Very high	39 Å²	39	54.7 Å²	54.7	27%	0.273	29%	0.293	S	S	.	.			trans	-77.6	152.3	170.2	73.7	0	0	0	0	111.6	Q596 F597 A598	S594-Q596 PolarHBondContact O-N 3.44Å; S594-F597 PolarHBondContact O-N 2.91Å; S594-F597 VanDerWaalsContact O-N 3.15Å; S594-F597 WeakPolarHBondContact OG-CB 3.38Å; S594-F597 PolarHBondContact OG-N 3.23Å; S594-A598 PolarHBondContact O-N 3.06Å; S594-A598 VanDerWaalsContact O-N 3.08Å
595	Q	95	Very high	95.9	Very high	73 Å²	73	51.9 Å²	51.9	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-30	179.1	-172.6	173.6	-12.5	0	0	112	I543 G545 L557 A599	I543-Q595 HydrophobicContact CD1-CG 4.22Å; I543-Q595 PolarHBondContact O-NE2 2.87Å; G545-Q595 VanDerWaalsContact N-OE1 3.16Å; L557-Q595 HydrophobicContact CD1-CB 4.08Å; Q595-A599 WeakPolarHBondContact O-CB 3.48Å; Q595-A599 PolarHBondContact O-N 3.16Å
596	Q	95	Very high	95.6	Very high	140 Å²	140	53.7 Å²	53.7	65%	0.654	30%	0.299	S	S	*	.	H	α-helix	trans	-68.3	-42.1	174.6	-176	176.3	-7.1	0	0	112.3	S594 A599 Q600	S594-Q596 PolarHBondContact O-N 3.44Å; Q596-A599 PolarHBondContact O-N 3.03Å; Q596-Q600 WeakPolarHBondContact O-CG 3.37Å; Q596-Q600 PolarHBondContact O-N 3.1Å
597	F	95.7	Very high	95.5	Very high	87 Å²	87	56.5 Å²	56.5	38%	0.382	31%	0.31	S	S	.	.	H	α-helix	trans	-63.2	-46.6	175.6	178.1	-95.5	0	0	0	110.9	L590 V593 S594 A599 Q600 V601	L590-F597 HydrophobicContact CD2-CD1 4.3Å; L590-F597 HydrophobicContact CD2-CE1 4.21Å; V593-F597 HydrophobicContact CB-CD1 3.76Å; V593-F597 HydrophobicContact CB-CE1 4.47Å; V593-F597 HydrophobicContact CG1-CD1 3.82Å; V593-F597 HydrophobicContact CG1-CE1 4.03Å; V593-F597 HydrophobicContact CG2-CD1 4.07Å; S594-F597 PolarHBondContact O-N 2.91Å; S594-F597 VanDerWaalsContact O-N 3.15Å; S594-F597 WeakPolarHBondContact OG-CB 3.38Å; S594-F597 PolarHBondContact OG-N 3.23Å; F597-A599 VanDerWaalsContact C-N 3.31Å; F597-A599 PolarHBondContact O-N 3.06Å; F597-Q600 WeakPolarHBondContact O-CB 3.37Å; F597-Q600 PolarHBondContact O-N 3.04Å; F597-Q600 VanDerWaalsContact O-N 3.07Å; F597-V601 HydrophobicContact CD1-CG2 4.12Å; F597-V601 HydrophobicContact CE1-CG2 3.68Å; F597-V601 HydrophobicContact CE2-CG2 4.36Å; F597-V601 HydrophobicContact CZ-CG2 3.82Å; F597-V601 PolarHBondContact O-N 3.49Å
598	A	97.3	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-42.2	175.4	0	0	0	0	0	112.5	I543 I559 L590 V593 S594 Q600 V601 L602	I543-A598 HydrophobicContact CD1-CB 4.08Å; I559-A598 HydrophobicContact CD1-CB 3.67Å; I559-A598 HydrophobicContact CG1-CB 3.67Å; I559-A598 HydrophobicContact CG2-CB 4.14Å; L590-A598 HydrophobicContact CD1-CB 4.22Å; L590-A598 HydrophobicContact CD2-CB 4.15Å; V593-A598 HydrophobicContact CG2-CB 4.11Å; S594-A598 PolarHBondContact O-N 3.06Å; S594-A598 VanDerWaalsContact O-N 3.08Å; A598-Q600 VanDerWaalsContact C-N 3.33Å; A598-Q600 PolarHBondContact O-N 3.14Å; A598-V601 PolarHBondContact O-N 3.01Å; A598-L602 WeakPolarHBondContact O-CB 3.41Å; A598-L602 VanDerWaalsContact O-CG 3.27Å; A598-L602 WeakPolarHBondContact O-CG 3.49Å; A598-L602 PolarHBondContact O-N 3.43Å
599	A	96.5	Very high	95.5	Very high	29 Å²	29	54.8 Å²	54.8	24%	0.24	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-35.9	174.9	0	0	0	0	0	112.8	I543 Q595 Q596 F597 Q603	I543-A599 HydrophobicContact CD1-CB 4.45Å; Q595-A599 WeakPolarHBondContact O-CB 3.48Å; Q595-A599 PolarHBondContact O-N 3.16Å; Q596-A599 PolarHBondContact O-N 3.03Å; F597-A599 VanDerWaalsContact C-N 3.31Å; F597-A599 PolarHBondContact O-N 3.06Å; A599-Q603 WeakPolarHBondContact O-CB 3.36Å; A599-Q603 VanDerWaalsContact O-CG 3.23Å; A599-Q603 WeakPolarHBondContact O-CG 3.37Å; A599-Q603 PolarHBondContact O-N 3.07Å; A599-Q603 PolarHBondContact O-NE2 3.17Å
600	Q	96.7	Very high	95.6	Very high	97 Å²	97	54.5 Å²	54.5	45%	0.453	28%	0.284	S	S	.	.	H	α-helix	trans	-69.2	-46	175.8	-75	175.3	-26.9	0	0	112.1	Q596 F597 A598 L602 Q603 N604	Q596-Q600 WeakPolarHBondContact O-CG 3.37Å; Q596-Q600 PolarHBondContact O-N 3.1Å; F597-Q600 WeakPolarHBondContact O-CB 3.37Å; F597-Q600 PolarHBondContact O-N 3.04Å; F597-Q600 VanDerWaalsContact O-N 3.07Å; A598-Q600 VanDerWaalsContact C-N 3.33Å; A598-Q600 PolarHBondContact O-N 3.14Å; Q600-L602 PolarHBondContact O-N 2.89Å; Q600-Q603 PolarHBondContact O-N 2.85Å; Q600-N604 WeakPolarHBondContact O-CB 3.28Å; Q600-N604 VanDerWaalsContact O-CG 3.22Å; Q600-N604 PolarHBondContact O-N 3Å; Q600-N604 PolarHBondContact O-ND2 3.44Å
601	V	97.1	Very high	95.6	Very high	18 Å²	18	54.5 Å²	54.5	11%	0.109	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-50.3	174.8	174.3	0	0	0	0	110.1	V585 H588 L590 F597 A598 Q603 N604 T605	V585-V601 HydrophobicContact CB-CG1 3.97Å; V585-V601 HydrophobicContact CG1-CG1 4.02Å; H588-V601 HydrophobicContact CB-CG1 4.12Å; L590-V601 HydrophobicContact CD2-CB 4.09Å; L590-V601 HydrophobicContact CD2-CG1 4.2Å; L590-V601 HydrophobicContact CD2-CG2 4.11Å; F597-V601 HydrophobicContact CD1-CG2 4.12Å; F597-V601 HydrophobicContact CE1-CG2 3.68Å; F597-V601 HydrophobicContact CE2-CG2 4.36Å; F597-V601 HydrophobicContact CZ-CG2 3.82Å; F597-V601 PolarHBondContact O-N 3.49Å; A598-V601 PolarHBondContact O-N 3.01Å; V601-Q603 VanDerWaalsContact C-N 3.32Å; V601-Q603 PolarHBondContact O-N 3.43Å; V601-N604 PolarHBondContact O-N 3.02Å; V601-N604 VanDerWaalsContact O-N 3.13Å; V601-T605 PolarHBondContact O-N 3.12Å
602	L	96.5	Very high	95.7	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-37.3	178.5	-72.9	168.6	0	0	0	113.1	L539 I541 I543 I582 V585 A598 Q600 T605 F611	L539-L602 WeakPolarHBondContact CD1-O 3.43Å; L539-L602 HydrophobicContact CD2-CD2 4.04Å; I541-L602 HydrophobicContact CD1-CD1 4.47Å; I541-L602 HydrophobicContact CD1-CD2 4.26Å; I543-L602 HydrophobicContact CD1-CD1 3.95Å; I543-L602 HydrophobicContact CG2-CD1 3.87Å; I582-L602 HydrophobicContact CD1-CD1 4.23Å; I582-L602 HydrophobicContact CD1-CD2 4.35Å; V585-L602 HydrophobicContact CG1-CD2 4.37Å; V585-L602 HydrophobicContact CG2-CD2 3.94Å; A598-L602 WeakPolarHBondContact O-CB 3.41Å; A598-L602 VanDerWaalsContact O-CG 3.27Å; A598-L602 WeakPolarHBondContact O-CG 3.49Å; A598-L602 PolarHBondContact O-N 3.43Å; Q600-L602 PolarHBondContact O-N 2.89Å; L602-T605 WeakPolarHBondContact O-CG2 3.47Å; L602-T605 PolarHBondContact O-OG1 3.31Å; L602-F611 HydrophobicContact CD2-CE1 3.82Å; L602-F611 HydrophobicContact CD2-CZ 3.56Å
603	Q	94.6	Very high	95.8	Very high	135 Å²	135	54.6 Å²	54.6	63%	0.631	28%	0.284	S	S	*	.	H	α-helix	trans	-66.7	-41.3	174.8	-79.3	166.5	70.5	0	0	112.3	K534 A599 Q600 V601 T605	K534-Q603 PolarHBondContact NZ-O 3Å; A599-Q603 WeakPolarHBondContact O-CB 3.36Å; A599-Q603 VanDerWaalsContact O-CG 3.23Å; A599-Q603 WeakPolarHBondContact O-CG 3.37Å; A599-Q603 PolarHBondContact O-N 3.07Å; A599-Q603 PolarHBondContact O-NE2 3.17Å; Q600-Q603 PolarHBondContact O-N 2.85Å; V601-Q603 VanDerWaalsContact C-N 3.32Å; V601-Q603 PolarHBondContact O-N 3.43Å; Q603-T605 VanDerWaalsContact C-N 3.31Å; Q603-T605 PolarHBondContact O-N 3.39Å
604	N	94.5	Very high	95.9	Very high	138 Å²	138	53.5 Å²	53.5	74%	0.738	28%	0.278	S	S	*	.	H	α-helix	trans	-79.4	-6.3	-175	-66.8	-17.6	0	0	0	114.7	Q600 V601	Q600-N604 WeakPolarHBondContact O-CB 3.28Å; Q600-N604 VanDerWaalsContact O-CG 3.22Å; Q600-N604 PolarHBondContact O-N 3Å; Q600-N604 PolarHBondContact O-ND2 3.44Å; V601-N604 PolarHBondContact O-N 3.02Å; V601-N604 VanDerWaalsContact O-N 3.13Å
605	T	95	Very high	95.9	Very high	11 Å²	11	54 Å²	54	7%	0.067	27%	0.274	C	S	.	.			trans	-49.4	151.2	176.2	48.6	0	0	0	0	114.5	K534 V585 D586 V601 L602 Q603 I609	K534-T605 WeakPolarHBondContact CE-OG1 3.31Å; K534-T605 PolarHBondContact NZ-O 2.91Å; K534-T605 PolarHBondContact NZ-OG1 2.94Å; V585-T605 HydrophobicContact CG1-CG2 3.37Å; D586-T605 WeakPolarHBondContact OD2-CA 3.05Å; D586-T605 WeakPolarHBondContact OD2-CG2 3.37Å; V601-T605 PolarHBondContact O-N 3.12Å; L602-T605 WeakPolarHBondContact O-CG2 3.47Å; L602-T605 PolarHBondContact O-OG1 3.31Å; Q603-T605 VanDerWaalsContact C-N 3.31Å; Q603-T605 PolarHBondContact O-N 3.39Å; T605-I609 HydrophobicContact CG2-CD1 4.35Å; T605-I609 HydrophobicContact CG2-CG2 3.63Å
606	G	92.1	Very high	95.8	Very high	37 Å²	37	53.7 Å²	53.7	38%	0.381	27%	0.273	S	S	.	.			trans	-70.9	-169.3	179.8	0	0	0	0	0	115.3	K534 D586	K534-G606 WeakPolarHBondContact CD-O 3.44Å; D586-G606 PolarHBondContact OD2-N 3.43Å
607	E	93.4	Very high	95.5	Very high	121 Å²	121	53.2 Å²	53.2	57%	0.565	27%	0.268	S	S	*	.	S	Bend	trans	-72.1	-41.1	170.8	172	165	-128.4	0	0	111.8	R533 K534	R533-E607 CarbonylContact C-O 3.51Å; R533-E607 VanDerWaalsContact CA-O 3.29Å; R533-E607 WeakPolarHBondContact CA-O 3.38Å; R533-E607 HydrophobicContact CG-CG 3.87Å; R533-E607 VanDerWaalsContact CG-O 3.29Å; R533-E607 WeakPolarHBondContact CG-O 3.08Å; R533-E607 IonicContact CZ-OE1 3.19Å; R533-E607 IonicContact NE-OE1 2.92Å; R533-E607 PolarHBondContact NE-OE1 3.37Å; R533-E607 IonicContact NH2-OE1 2.66Å; R533-E607 PolarHBondContact NH2-OE1 3.2Å; R533-E607 IonicContact NH2-OE2 3.6Å; K534-E607 PolarHBondContact N-O 3.18Å
608	I	95.4	Very high	95	Very high	120 Å²	120	54.2 Å²	54.2	62%	0.615	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.1	166.1	-58.4	174.2	0	0	0	106
609	I	96.4	Very high	94.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.9	-176.5	-41.7	179.8	0	0	0	108.2	D531 F532 K534 L539 V585 D586 T605 F611	D531-I609 WeakPolarHBondContact CA-O 3.21Å; F532-I609 HydrophobicContact CE1-CB 4.33Å; F532-I609 HydrophobicContact CZ-CD1 4.43Å; F532-I609 PolarHBondContact N-O 3.1Å; F532-I609 PolarHBondContact O-N 2.9Å; K534-I609 HydrophobicContact CB-CD1 3.92Å; K534-I609 HydrophobicContact CB-CG1 4.3Å; K534-I609 HydrophobicContact CD-CD1 4.1Å; K534-I609 HydrophobicContact CG-CD1 4.08Å; L539-I609 HydrophobicContact CD1-CD1 4.33Å; L539-I609 HydrophobicContact CD2-CD1 3.61Å; L539-I609 HydrophobicContact CG-CD1 3.67Å; V585-I609 HydrophobicContact CG1-CG2 4.12Å; D586-I609 WeakPolarHBondContact OD1-CA 3.26Å; D586-I609 WeakPolarHBondContact OD1-CG2 3.4Å; T605-I609 HydrophobicContact CG2-CD1 4.35Å; T605-I609 HydrophobicContact CG2-CG2 3.63Å; I609-F611 HydrophobicContact CG2-CD1 3.67Å; I609-F611 HydrophobicContact CG2-CE1 3.53Å
610	H	97.5	Very high	93.3	Very high	55 Å²	55	59.1 Å²	59.1	26%	0.255	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	111	175.5	-178.6	76.2	0	0	0	109.7	E529 D531 V585 D586	E529-H610 IonicContact OE2-CE1 3.19Å; D531-H610 IonicContact OD1-CE1 3.55Å; D531-H610 IonicContact OD1-CG 3.86Å; D531-H610 IonicContact OD1-ND1 3.53Å; D531-H610 PolarHBondContact OD1-ND1 3.44Å; V585-H610 WeakPolarHBondContact CA-O 3.17Å; D586-H610 PolarHBondContact N-O 3.45Å; D586-H610 PolarHBondContact OD1-N 2.63Å
611	F	97.9	Very high	92.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.1	176.4	-85.8	13.7	0	0	0	111.3	E529 I530 F532 L539 I541 I576 I582 Q584 V585 L602 I609 I613	E529-F611 CarbonylContact C-O 3.52Å; E529-F611 WeakPolarHBondContact CA-O 3.05Å; I530-F611 HydrophobicContact CB-CB 4.23Å; I530-F611 PolarHBondContact N-O 3.22Å; I530-F611 PolarHBondContact O-N 3.15Å; F532-F611 HydrophobicContact CE1-CD1 4.2Å; F532-F611 AromaticContact CE1-CD2 3.75Å; F532-F611 HydrophobicContact CE1-CD2 3.75Å; F532-F611 HydrophobicContact CE1-CE1 4.25Å; F532-F611 AromaticContact CE1-CE2 3.82Å; F532-F611 HydrophobicContact CE1-CE2 3.82Å; F532-F611 AromaticContact CE1-CG 3.97Å; F532-F611 HydrophobicContact CE1-CG 3.97Å; F532-F611 HydrophobicContact CE1-CZ 4.08Å; F532-F611 HydrophobicContact CZ-CD2 4.36Å; F532-F611 AromaticContact CZ-CE2 3.98Å; F532-F611 HydrophobicContact CZ-CE2 3.98Å; F532-F611 HydrophobicContact CZ-CZ 4.15Å; L539-F611 HydrophobicContact CD2-CE1 4.06Å; L539-F611 HydrophobicContact CD2-CZ 3.55Å; I541-F611 HydrophobicContact CD1-CE2 4.15Å; I541-F611 HydrophobicContact CD1-CZ 4.08Å; I576-F611 HydrophobicContact CD1-CD2 4Å; I576-F611 HydrophobicContact CD1-CE2 4.14Å; I582-F611 HydrophobicContact CD1-CE2 4.35Å; Q584-F611 WeakPolarHBondContact O-CA 3.48Å; V585-F611 HydrophobicContact CB-CD1 4.3Å; V585-F611 HydrophobicContact CB-CE1 4.23Å; V585-F611 HydrophobicContact CG1-CD1 4.08Å; V585-F611 HydrophobicContact CG1-CE1 3.76Å; V585-F611 HydrophobicContact CG2-CD1 3.76Å; V585-F611 HydrophobicContact CG2-CE1 3.57Å; V585-F611 HydrophobicContact CG2-CZ 4.35Å; L602-F611 HydrophobicContact CD2-CE1 3.82Å; L602-F611 HydrophobicContact CD2-CZ 3.56Å; I609-F611 HydrophobicContact CG2-CD1 3.67Å; I609-F611 HydrophobicContact CG2-CE1 3.53Å; F611-I613 HydrophobicContact CB-CD1 4.29Å; F611-I613 HydrophobicContact CB-CG1 4.28Å; F611-I613 HydrophobicContact CD2-CD1 3.81Å; F611-I613 HydrophobicContact CD2-CG1 4.36Å; F611-I613 HydrophobicContact CG-CD1 4.41Å
612	V	98.2	Very high	92	Very high	12 Å²	12	58.7 Å²	58.7	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.4	156.2	-175.3	0	0	0	0	107.7	M527 E529 V583 Q584	M527-V612 HydrophobicContact CE-CG1 3.56Å; E529-V612 HydrophobicContact CG-CG2 4.3Å; V583-V612 HydrophobicContact CB-CB 4.37Å; V583-V612 HydrophobicContact CB-CG1 4.22Å; V583-V612 WeakPolarHBondContact CB-O 3.43Å; V583-V612 PolarHBondContact N-O 2.81Å; Q584-V612 HydrophobicContact CB-CB 3.74Å; Q584-V612 HydrophobicContact CB-CG2 3.76Å; Q584-V612 PolarHBondContact N-O 2.86Å; Q584-V612 PolarHBondContact O-N 3.3Å
613	I	97.8	Very high	91.4	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.8	178.8	-64	-53.8	0	0	0	109.8	M527 F528 I530 D580 Q581 I582 F611	M527-I613 CarbonylContact C-O 3.37Å; M527-I613 VanDerWaalsContact CA-O 3.29Å; M527-I613 WeakPolarHBondContact CA-O 3.41Å; F528-I613 HydrophobicContact CE1-CB 4.1Å; F528-I613 HydrophobicContact CE1-CG2 3.68Å; F528-I613 HydrophobicContact CE2-CB 4.26Å; F528-I613 HydrophobicContact CE2-CG2 4.32Å; F528-I613 HydrophobicContact CZ-CB 3.92Å; F528-I613 HydrophobicContact CZ-CG2 3.54Å; F528-I613 PolarHBondContact N-O 3.17Å; F528-I613 PolarHBondContact O-N 3.25Å; I530-I613 HydrophobicContact CD1-CB 4.22Å; I530-I613 HydrophobicContact CD1-CG1 3.55Å; I530-I613 HydrophobicContact CG1-CG1 4.31Å; D580-I613 HydrophobicContact CB-CG2 3.73Å; Q581-I613 WeakPolarHBondContact O-CA 3.42Å; I582-I613 HydrophobicContact CB-CD1 4.26Å; I582-I613 HydrophobicContact CG1-CD1 4.04Å; I582-I613 HydrophobicContact CG2-CD1 4.25Å; F611-I613 HydrophobicContact CB-CD1 4.29Å; F611-I613 HydrophobicContact CB-CG1 4.28Å; F611-I613 HydrophobicContact CD2-CD1 3.81Å; F611-I613 HydrophobicContact CD2-CG1 4.36Å; F611-I613 HydrophobicContact CG-CD1 4.41Å
614	A	97.1	Very high	91.1	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.8	165.1	0	0	0	0	0	110.3	L522 M525 M527 Q581 V583	L522-A614 HydrophobicContact CD2-CB 3.71Å; M525-A614 HydrophobicContact CB-CB 4.05Å; M525-A614 HydrophobicContact CE-CB 3.79Å; M525-A614 HydrophobicContact SD-CB 4.23Å; M527-A614 HydrophobicContact CG-CB 3.92Å; Q581-A614 HydrophobicContact CB-CB 4.39Å; Q581-A614 PolarHBondContact N-O 2.74Å; Q581-A614 PolarHBondContact O-N 2.64Å; V583-A614 HydrophobicContact CG2-CB 3.62Å
615	R	95.1	Very high	90.7	Very high	49 Å²	49	54.5 Å²	54.5	19%	0.185	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135	179.8	-176.8	173.7	-70	158.6	1.7	110.9	D526 F528 R575 D580 P619	D526-R615 PolarHBondContact N-O 2.92Å; D526-R615 PolarHBondContact O-N 2.68Å; F528-R615 HydrophobicContact CE1-CB 3.98Å; R575-R615 PolarHBondContact O-NH2 3.04Å; D580-R615 VanDerWaalsContact CG-NH2 3.3Å; D580-R615 IonicContact OD1-CZ 3.72Å; D580-R615 VanDerWaalsContact OD1-CZ 3.3Å; D580-R615 IonicContact OD1-NE 2.69Å; D580-R615 PolarHBondContact OD1-NE 3.08Å; D580-R615 IonicContact OD1-NH2 2.73Å; D580-R615 PolarHBondContact OD1-NH2 2.96Å; D580-R615 IonicContact OD2-CZ 2.77Å; D580-R615 IonicContact OD2-NE 3.06Å; D580-R615 IonicContact OD2-NH2 3.3Å; D580-R615 PolarHBondContact OD2-NH2 3.27Å; R615-P619 HydrophobicContact CG-CG 3.98Å
616	E	92.6	Very high	90.4	Very high	67 Å²	67	59.2 Å²	59.2	31%	0.313	30%	0.296	S	S	.	.			trans	-68.1	145.8	169	-77.6	-167.7	-144.2	0	0	110.1	M525 D618 P619 S622	M525-E616 HydrophobicContact CE-CG 4.1Å; M525-E616 HydrophobicContact CG-CG 4.5Å; E616-D618 PolarHBondContact O-N 3.38Å; E616-P619 VanDerWaalsContact O-CD 3.22Å; E616-P619 WeakPolarHBondContact O-CD 3.44Å; E616-P619 WeakPolarHBondContact O-CG 3.38Å; E616-S622 WeakPolarHBondContact OE1-CB 3.18Å; E616-S622 WeakPolarHBondContact OE2-CA 3.48Å; E616-S622 WeakPolarHBondContact OE2-CB 3.41Å
617	K	87.3	Confident	90.1	Very high	130 Å²	130	59.8 Å²	59.8	57%	0.565	29%	0.289	S	S	*	.	S	Bend	trans	-63.6	-25.5	-177.1	-70.5	166.7	172.8	62.5	0	114	D524 D526	D524-K617 PolarHBondContact O-NZ 3.14Å; D526-K617 WeakPolarHBondContact OD1-CE 3.35Å; D526-K617 IonicContact OD1-NZ 3.11Å; D526-K617 PolarHBondContact OD1-NZ 2.68Å
618	D	86.9	Confident	89.7	Confident	107 Å²	107	54.1 Å²	54.1	57%	0.572	26%	0.263	S	S	*	.	S	Bend	trans	-124.8	72.6	173.7	-78.2	-62.3	0	0	0	111.4	E616 P620 N621 S622	E616-D618 PolarHBondContact O-N 3.38Å; D618-P620 VanDerWaalsContact C-CD 3.45Å; D618-N621 HydrophobicContact CB-CB 4.16Å; D618-N621 PolarHBondContact O-N 3.27Å; D618-S622 PolarHBondContact O-N 3.05Å; D618-S622 VanDerWaalsContact O-N 3.13Å
619	P	79.2	Confident	89.3	Confident	33 Å²	33	51.2 Å²	51.2	21%	0.214	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-49.6	-44.2	-172.8	-26	33.9	0	0	0	116.2	R615 E616 N621 S622 A625	R615-P619 HydrophobicContact CG-CG 3.98Å; E616-P619 VanDerWaalsContact O-CD 3.22Å; E616-P619 WeakPolarHBondContact O-CD 3.44Å; E616-P619 WeakPolarHBondContact O-CG 3.38Å; P619-N621 VanDerWaalsContact C-N 3.3Å; P619-N621 PolarHBondContact O-N 2.9Å; P619-S622 VanDerWaalsContact O-CB 3.24Å; P619-S622 WeakPolarHBondContact O-CB 3.35Å; P619-S622 PolarHBondContact O-N 3.22Å; P619-S622 PolarHBondContact O-OG 3.38Å; P619-A625 WeakPolarHBondContact O-CB 3.42Å
620	P	77.6	Confident	88.6	Confident	99 Å²	99	56.7 Å²	56.7	64%	0.643	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-75	-15.9	-179	31	-36.3	0	0	0	114	D618	D618-P620 VanDerWaalsContact C-CD 3.45Å
621	N	81.6	Confident	87.8	Confident	102 Å²	102	58.6 Å²	58.6	55%	0.545	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-96.8	-5.1	174.2	-72	-50.3	0	0	0	112.8	D618 P619 K626	D618-N621 HydrophobicContact CB-CB 4.16Å; D618-N621 PolarHBondContact O-N 3.27Å; P619-N621 VanDerWaalsContact C-N 3.3Å; P619-N621 PolarHBondContact O-N 2.9Å; N621-K626 WeakPolarHBondContact O-CE 3.36Å; N621-K626 PolarHBondContact O-NZ 2.99Å
622	S	86.1	Confident	86.9	Confident	4 Å²	4	62.2 Å²	62.2	3%	0.028	30%	0.301	C	S	.	.	S	Bend	trans	-53.7	158.1	-178.4	65.5	0	0	0	0	113.1	E616 D618 P619 I624 A625 K626	E616-S622 WeakPolarHBondContact OE1-CB 3.18Å; E616-S622 WeakPolarHBondContact OE2-CA 3.48Å; E616-S622 WeakPolarHBondContact OE2-CB 3.41Å; D618-S622 PolarHBondContact O-N 3.05Å; D618-S622 VanDerWaalsContact O-N 3.13Å; P619-S622 VanDerWaalsContact O-CB 3.24Å; P619-S622 WeakPolarHBondContact O-CB 3.35Å; P619-S622 PolarHBondContact O-N 3.22Å; P619-S622 PolarHBondContact O-OG 3.38Å; S622-I624 PolarHBondContact O-N 3.48Å; S622-A625 WeakPolarHBondContact OG-CB 3.18Å; S622-A625 PolarHBondContact OG-N 3.35Å; S622-K626 PolarHBondContact O-N 3.42Å
623	R	83.6	Confident	85.9	Confident	182 Å²	182	67.3 Å²	67.3	69%	0.687	32%	0.324	S	S	*	.	H	α-helix	trans	-63.1	-35.7	173.3	-178.6	177.6	172.3	-158.9	-6.4	111	I627	R623-I627 HydrophobicContact CG-CD1 4.03Å; R623-I627 WeakPolarHBondContact O-CD1 3.22Å; R623-I627 WeakPolarHBondContact O-CG1 3.18Å; R623-I627 PolarHBondContact O-N 2.96Å
624	I	87.4	Confident	84.8	Confident	13 Å²	13	73.6 Å²	73.6	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-72.6	-40.8	-178.6	-69.1	-65.6	0	0	0	112.1	F560 Y579 S622 K626 I627 L628	F560-I624 HydrophobicContact CB-CG2 4.06Å; F560-I624 HydrophobicContact CD1-CB 4.44Å; F560-I624 HydrophobicContact CD1-CD1 4.5Å; F560-I624 HydrophobicContact CD1-CG1 4Å; F560-I624 HydrophobicContact CD1-CG2 3.98Å; F560-I624 HydrophobicContact CD2-CD1 3.68Å; F560-I624 HydrophobicContact CD2-CG1 4.09Å; F560-I624 HydrophobicContact CD2-CG2 4.37Å; F560-I624 HydrophobicContact CE1-CD1 4.3Å; F560-I624 HydrophobicContact CE1-CG1 3.72Å; F560-I624 HydrophobicContact CE2-CD1 3.43Å; F560-I624 VanDerWaalsContact CE2-CD1 3.43Å; F560-I624 HydrophobicContact CE2-CG1 3.82Å; F560-I624 HydrophobicContact CG-CD1 4.21Å; F560-I624 HydrophobicContact CG-CG1 4.18Å; F560-I624 HydrophobicContact CG-CG2 3.88Å; F560-I624 HydrophobicContact CZ-CD1 3.78Å; F560-I624 HydrophobicContact CZ-CG1 3.63Å; Y579-I624 HydrophobicContact CD1-CG2 4.3Å; S622-I624 PolarHBondContact O-N 3.48Å; I624-K626 VanDerWaalsContact C-N 3.27Å; I624-K626 PolarHBondContact O-N 3.21Å; I624-I627 PolarHBondContact O-N 3.42Å; I624-L628 HydrophobicContact CG2-CD1 3.81Å; I624-L628 WeakPolarHBondContact O-CB 3.44Å; I624-L628 PolarHBondContact O-N 2.92Å
625	A	87.5	Confident	83.8	Confident	3 Å²	3	77.8 Å²	77.8	3%	0.025	37%	0.373	C	S	.	.	H	α-helix	trans	-59.4	-38.6	175.7	0	0	0	0	0	112.3	Y579 P619 S622 T629	Y579-A625 HydrophobicContact CD1-CB 4.03Å; Y579-A625 HydrophobicContact CD2-CB 3.81Å; Y579-A625 HydrophobicContact CE1-CB 3.94Å; Y579-A625 HydrophobicContact CE2-CB 3.69Å; Y579-A625 HydrophobicContact CG-CB 3.97Å; P619-A625 WeakPolarHBondContact O-CB 3.42Å; S622-A625 WeakPolarHBondContact OG-CB 3.18Å; S622-A625 PolarHBondContact OG-N 3.35Å; A625-T629 VanDerWaalsContact O-CB 3.26Å; A625-T629 WeakPolarHBondContact O-CB 3.47Å; A625-T629 PolarHBondContact O-N 3.3Å; A625-T629 PolarHBondContact O-OG1 3.44Å
626	K	87.4	Confident	83	Confident	109 Å²	109	79.7 Å²	79.7	47%	0.474	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-53.5	175.4	-70.8	159.8	-178.6	151.1	0	111.6	N621 S622 I624 L628 T629 E630	N621-K626 WeakPolarHBondContact O-CE 3.36Å; N621-K626 PolarHBondContact O-NZ 2.99Å; S622-K626 PolarHBondContact O-N 3.42Å; I624-K626 VanDerWaalsContact C-N 3.27Å; I624-K626 PolarHBondContact O-N 3.21Å; K626-L628 VanDerWaalsContact C-N 3.27Å; K626-L628 PolarHBondContact O-N 2.59Å; K626-T629 PolarHBondContact O-N 3.22Å; K626-T629 VanDerWaalsContact O-N 3.16Å; K626-E630 WeakPolarHBondContact O-CB 3.43Å; K626-E630 VanDerWaalsContact O-CG 3.31Å; K626-E630 WeakPolarHBondContact O-CG 3.32Å; K626-E630 PolarHBondContact O-N 3.1Å
627	I	85.8	Confident	82.3	Confident	49 Å²	49	82 Å²	82	25%	0.251	40%	0.397	S	S	.	.	H	α-helix	trans	-58.1	-39.2	179.1	-66.5	165.3	0	0	0	111.8	R623 I624 K631	R623-I627 HydrophobicContact CG-CD1 4.03Å; R623-I627 WeakPolarHBondContact O-CD1 3.22Å; R623-I627 WeakPolarHBondContact O-CG1 3.18Å; R623-I627 PolarHBondContact O-N 2.96Å; I624-I627 PolarHBondContact O-N 3.42Å; I627-K631 WeakPolarHBondContact O-CB 3.39Å; I627-K631 WeakPolarHBondContact O-CG 3.28Å; I627-K631 PolarHBondContact O-N 2.87Å; I627-K631 VanDerWaalsContact O-N 3.12Å
628	L	86.1	Confident	81.4	Confident	3 Å²	3	83 Å²	83	2%	0.016	40%	0.404	C	S	.	.	H	α-helix	trans	-73.7	-38.7	177.6	-86.5	166.2	0	0	0	112.9	V544 K562 Y579 I624 K626 K631 Q632	V544-L628 HydrophobicContact CB-CD2 4.44Å; V544-L628 HydrophobicContact CG1-CD1 4Å; V544-L628 HydrophobicContact CG1-CD2 3.99Å; V544-L628 HydrophobicContact CG1-CG 4.25Å; K562-L628 HydrophobicContact CB-CD2 3.93Å; K562-L628 HydrophobicContact CD-CD2 3.95Å; K562-L628 HydrophobicContact CG-CD2 3.71Å; Y579-L628 HydrophobicContact CD1-CB 4.45Å; Y579-L628 HydrophobicContact CD1-CD1 3.61Å; Y579-L628 HydrophobicContact CE1-CB 3.85Å; Y579-L628 HydrophobicContact CE1-CD1 3.76Å; Y579-L628 HydrophobicContact CE1-CG 4.47Å; I624-L628 HydrophobicContact CG2-CD1 3.81Å; I624-L628 WeakPolarHBondContact O-CB 3.44Å; I624-L628 PolarHBondContact O-N 2.92Å; K626-L628 VanDerWaalsContact C-N 3.27Å; K626-L628 PolarHBondContact O-N 2.59Å; L628-K631 PolarHBondContact O-N 2.87Å; L628-Q632 WeakPolarHBondContact O-CG 3.45Å; L628-Q632 PolarHBondContact O-N 3.24Å
629	T	86.2	Confident	80.6	Confident	58 Å²	58	82.9 Å²	82.9	36%	0.356	40%	0.404	S	S	.	.	H	α-helix	trans	-65.3	-42	175.5	-57.6	0	0	0	0	111.2	A625 K626 Q632 Q633	A625-T629 VanDerWaalsContact O-CB 3.26Å; A625-T629 WeakPolarHBondContact O-CB 3.47Å; A625-T629 PolarHBondContact O-N 3.3Å; A625-T629 PolarHBondContact O-OG1 3.44Å; K626-T629 PolarHBondContact O-N 3.22Å; K626-T629 VanDerWaalsContact O-N 3.16Å; T629-Q632 PolarHBondContact O-N 2.98Å; T629-Q633 WeakPolarHBondContact O-CG 3.49Å; T629-Q633 PolarHBondContact O-N 3.21Å
630	E	82.4	Confident	80.3	Confident	115 Å²	115	86.2 Å²	86.2	54%	0.537	42%	0.42	S	S	.	.	H	α-helix	trans	-59.5	-50.7	174.2	-72.9	164.4	179.8	0	0	110.6	K626 Q632 Q633 E634	K626-E630 WeakPolarHBondContact O-CB 3.43Å; K626-E630 VanDerWaalsContact O-CG 3.31Å; K626-E630 WeakPolarHBondContact O-CG 3.32Å; K626-E630 PolarHBondContact O-N 3.1Å; E630-Q632 VanDerWaalsContact C-N 3.34Å; E630-Q632 PolarHBondContact O-N 2.85Å; E630-Q633 PolarHBondContact O-N 3.42Å; E630-Q633 VanDerWaalsContact O-N 3.13Å; E630-E634 PolarHBondContact O-N 3.47Å
631	K	79.5	Confident	79.7	Confident	96 Å²	96	86.1 Å²	86.1	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-36.4	176.9	-76.8	-174	173.4	-165.7	0	114	I627 L628 E634 E635	I627-K631 WeakPolarHBondContact O-CB 3.39Å; I627-K631 WeakPolarHBondContact O-CG 3.28Å; I627-K631 PolarHBondContact O-N 2.87Å; I627-K631 VanDerWaalsContact O-N 3.12Å; L628-K631 PolarHBondContact O-N 2.87Å; K631-E634 PolarHBondContact O-N 3.01Å; K631-E635 WeakPolarHBondContact O-CB 3.46Å; K631-E635 VanDerWaalsContact O-CG 3.29Å; K631-E635 WeakPolarHBondContact O-CG 3.4Å; K631-E635 PolarHBondContact O-N 2.96Å
632	Q	78.9	Confident	78.6	Confident	75 Å²	75	83.1 Å²	83.1	35%	0.35	40%	0.402	S	S	.	.	H	α-helix	trans	-67.8	-36.3	174.8	-76.8	-174.1	-107.6	0	0	112.1	L628 T629 E630 E635 D636	L628-Q632 WeakPolarHBondContact O-CG 3.45Å; L628-Q632 PolarHBondContact O-N 3.24Å; T629-Q632 PolarHBondContact O-N 2.98Å; E630-Q632 VanDerWaalsContact C-N 3.34Å; E630-Q632 PolarHBondContact O-N 2.85Å; Q632-E635 PolarHBondContact O-N 2.95Å; Q632-D636 WeakPolarHBondContact O-CB 3.15Å; Q632-D636 VanDerWaalsContact O-CG 3.31Å; Q632-D636 PolarHBondContact O-N 2.88Å
633	Q	78	Confident	77.4	Confident	119 Å²	119	89.4 Å²	89.4	56%	0.556	43%	0.431	S	S	*	.	H	α-helix	trans	-66.4	-37.6	174.5	-71.5	173	16.1	0	0	111.9	T629 E630 E637	T629-Q633 WeakPolarHBondContact O-CG 3.49Å; T629-Q633 PolarHBondContact O-N 3.21Å; E630-Q633 PolarHBondContact O-N 3.42Å; E630-Q633 VanDerWaalsContact O-N 3.13Å; Q633-E637 VanDerWaalsContact O-CB 3.27Å; Q633-E637 WeakPolarHBondContact O-CB 3.45Å; Q633-E637 PolarHBondContact O-N 3.27Å
634	E	75.1	Confident	76.2	Confident	132 Å²	132	87.8 Å²	87.8	62%	0.617	43%	0.432	S	S	*	.	H	α-helix	trans	-63.9	-48.3	172.3	-67.6	178.1	153.6	0	0	111.6	E630 K631 D636 E637 E638	E630-E634 PolarHBondContact O-N 3.47Å; K631-E634 PolarHBondContact O-N 3.01Å; E634-D636 PolarHBondContact O-N 3.25Å; E634-E637 PolarHBondContact O-N 2.92Å; E634-E638 PolarHBondContact O-N 3.49Å; E634-E638 VanDerWaalsContact O-N 3.1Å
635	E	75	Confident	74.8	Confident	88 Å²	88	93.8 Å²	93.8	41%	0.411	46%	0.457	S	S	.	.	H	α-helix	trans	-58.1	-46	175.7	-73.1	168.5	-160	0	0	111.8	K562 K631 Q632 N639	K562-E635 IonicContact NZ-OE1 2.67Å; K562-E635 PolarHBondContact NZ-OE1 2.97Å; K562-E635 IonicContact NZ-OE2 2.73Å; K562-E635 PolarHBondContact NZ-OE2 3.07Å; K631-E635 WeakPolarHBondContact O-CB 3.46Å; K631-E635 VanDerWaalsContact O-CG 3.29Å; K631-E635 WeakPolarHBondContact O-CG 3.4Å; K631-E635 PolarHBondContact O-N 2.96Å; Q632-E635 PolarHBondContact O-N 2.95Å; E635-N639 PolarHBondContact O-N 3.29Å; E635-N639 PolarHBondContact O-ND2 3.08Å
636	D	79.6	Confident	73.4	Confident	90 Å²	90	96.2 Å²	96.2	48%	0.481	48%	0.477	S	S	.	.	H	α-helix	trans	-68.7	-38.1	178.6	-74.4	-24.8	0	0	0	112.5	Q632 E634 N639 N640	Q632-D636 WeakPolarHBondContact O-CB 3.15Å; Q632-D636 VanDerWaalsContact O-CG 3.31Å; Q632-D636 PolarHBondContact O-N 2.88Å; E634-D636 PolarHBondContact O-N 3.25Å; D636-N639 PolarHBondContact O-N 3.42Å; D636-N640 PolarHBondContact O-N 3.35Å; D636-N640 PolarHBondContact O-ND2 2.97Å
637	E	76.7	Confident	72.2	Confident	114 Å²	114	94.9 Å²	94.9	53%	0.533	48%	0.478	S	S	.	.	H	α-helix	trans	-66.5	-37.2	177.6	-93.3	-155.7	-148.1	0	0	112.8	Q633 E634 K641	Q633-E637 VanDerWaalsContact O-CB 3.27Å; Q633-E637 WeakPolarHBondContact O-CB 3.45Å; Q633-E637 PolarHBondContact O-N 3.27Å; E634-E637 PolarHBondContact O-N 2.92Å; E637-K641 WeakPolarHBondContact O-CD 3.41Å; E637-K641 WeakPolarHBondContact O-CE 3.48Å; E637-K641 WeakPolarHBondContact O-CG 3.31Å; E637-K641 PolarHBondContact O-N 3.26Å; E637-K641 WeakPolarHBondContact OE2-CE 3.26Å; E637-K641 IonicContact OE2-NZ 2.68Å; E637-K641 PolarHBondContact OE2-NZ 3.45Å
638	E	68.1	Low	71	Confident	152 Å²	152	98.2 Å²	98.2	71%	0.71	49%	0.493	S	S	*	.	H	α-helix	trans	-69.8	-41.9	175	-67.9	-153.6	141.3	0	0	111.9	E634 K641 G642	E634-E638 PolarHBondContact O-N 3.49Å; E634-E638 VanDerWaalsContact O-N 3.1Å; E638-K641 PolarHBondContact O-N 3.43Å; E638-G642 PolarHBondContact O-N 3.02Å
639	N	71	Confident	69.5	Low	105 Å²	105	105.4 Å²	105.4	56%	0.561	52%	0.524	S	S	*	.	H	α-helix	trans	-59.6	-48.2	176.4	-75.3	-40.9	0	0	0	112	E635 D636 K641 G642 E643	E635-N639 PolarHBondContact O-N 3.29Å; E635-N639 PolarHBondContact O-ND2 3.08Å; D636-N639 PolarHBondContact O-N 3.42Å; N639-K641 VanDerWaalsContact C-N 3.32Å; N639-K641 PolarHBondContact O-N 2.84Å; N639-G642 WeakPolarHBondContact O-CA 3.49Å; N639-G642 PolarHBondContact O-N 2.84Å; N639-E643 PolarHBondContact O-N 3.48Å
640	N	72	Confident	68	Low	103 Å²	103	109 Å²	109	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-60	-39.9	177	-81.8	-87.2	0	0	0	112.3	D636 G642 E643 E644	D636-N640 PolarHBondContact O-N 3.35Å; D636-N640 PolarHBondContact O-ND2 2.97Å; N640-G642 PolarHBondContact O-N 2.83Å; N640-E643 PolarHBondContact O-N 3.34Å; N640-E644 WeakPolarHBondContact O-CB 3.37Å; N640-E644 PolarHBondContact O-N 3.13Å
641	K	66	Low	66.7	Low	96 Å²	96	108.9 Å²	108.9	42%	0.417	54%	0.539	S	S	.	.	H	α-helix	trans	-70.9	-14.1	175.3	-67.7	162.7	-161.4	158	0	113.4	E637 E638 N639 K645	E637-K641 WeakPolarHBondContact O-CD 3.41Å; E637-K641 WeakPolarHBondContact O-CE 3.48Å; E637-K641 WeakPolarHBondContact O-CG 3.31Å; E637-K641 PolarHBondContact O-N 3.26Å; E637-K641 WeakPolarHBondContact OE2-CE 3.26Å; E637-K641 IonicContact OE2-NZ 2.68Å; E637-K641 PolarHBondContact OE2-NZ 3.45Å; E638-K641 PolarHBondContact O-N 3.43Å; N639-K641 VanDerWaalsContact C-N 3.32Å; N639-K641 PolarHBondContact O-N 2.84Å; K641-K645 VanDerWaalsContact O-CD 3.28Å; K641-K645 WeakPolarHBondContact O-CD 3.13Å; K641-K645 WeakPolarHBondContact O-CE 3.13Å; K641-K645 WeakPolarHBondContact O-CG 3.47Å; K641-K645 PolarHBondContact O-NZ 3Å
642	G	59.2	Low	65.3	Low	39 Å²	39	111.2 Å²	111.2	40%	0.402	55%	0.549	S	S	.	.	H	α-helix	trans	-81.5	-52.5	168.2	0	0	0	0	0	111.7	E638 N639 N640 E644 K645 A646	E638-G642 PolarHBondContact O-N 3.02Å; N639-G642 WeakPolarHBondContact O-CA 3.49Å; N639-G642 PolarHBondContact O-N 2.84Å; N640-G642 PolarHBondContact O-N 2.83Å; G642-E644 PolarHBondContact O-N 3.21Å; G642-K645 PolarHBondContact O-N 3.36Å; G642-A646 PolarHBondContact O-N 2.77Å; G642-A646 VanDerWaalsContact O-N 3.08Å
643	E	59.5	Low	63.6	Low	136 Å²	136	118 Å²	118	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-62.7	-41.7	-179	-67.8	-163.6	155.4	0	0	112.9	N639 N640 K645 A646 V647	N639-E643 PolarHBondContact O-N 3.48Å; N640-E643 PolarHBondContact O-N 3.34Å; E643-K645 VanDerWaalsContact C-N 3.25Å; E643-K645 PolarHBondContact O-N 2.85Å; E643-A646 WeakPolarHBondContact O-CA 3.34Å; E643-A646 WeakPolarHBondContact O-CB 3.48Å; E643-A646 PolarHBondContact O-N 3.22Å; E643-V647 WeakPolarHBondContact O-CG2 3.47Å; E643-V647 PolarHBondContact O-N 3.32Å
644	E	59.4	Low	61.7	Low	149 Å²	149	118.6 Å²	118.6	70%	0.696	58%	0.579	S	S	*	*	H	α-helix	trans	-58.4	-38.7	177.4	-170.6	175.7	-146.7	0	0	111.7	N640 G642 E648	N640-E644 WeakPolarHBondContact O-CB 3.37Å; N640-E644 PolarHBondContact O-N 3.13Å; G642-E644 PolarHBondContact O-N 3.21Å; E644-E648 PolarHBondContact O-N 2.95Å
645	K	57.3	Low	59.8	Low	138 Å²	138	118.7 Å²	118.7	60%	0.6	58%	0.583	S	S	*	*	H	α-helix	trans	-75.5	-23.3	175.8	-67	173.9	-169.5	144	0	113.6	K641 G642 E643 K649	K641-K645 VanDerWaalsContact O-CD 3.28Å; K641-K645 WeakPolarHBondContact O-CD 3.13Å; K641-K645 WeakPolarHBondContact O-CE 3.13Å; K641-K645 WeakPolarHBondContact O-CG 3.47Å; K641-K645 PolarHBondContact O-NZ 3Å; G642-K645 PolarHBondContact O-N 3.36Å; E643-K645 VanDerWaalsContact C-N 3.25Å; E643-K645 PolarHBondContact O-N 2.85Å; K645-K649 PolarHBondContact O-N 3.12Å
646	A	58.8	Low	57.9	Low	54 Å²	54	121.8 Å²	121.8	45%	0.446	60%	0.603	S	S	.	*	H	α-helix	trans	-74.2	-46.7	171.8	0	0	0	0	0	110.4	G642 E643 E648 K649 E650	G642-A646 PolarHBondContact O-N 2.77Å; G642-A646 VanDerWaalsContact O-N 3.08Å; E643-A646 WeakPolarHBondContact O-CA 3.34Å; E643-A646 WeakPolarHBondContact O-CB 3.48Å; E643-A646 PolarHBondContact O-N 3.22Å; A646-E648 PolarHBondContact O-N 3.37Å; A646-K649 WeakPolarHBondContact O-CB 3.43Å; A646-K649 PolarHBondContact O-N 3.44Å; A646-E650 PolarHBondContact O-N 3.18Å
647	V	62.7	Low	55.8	Low	81 Å²	81	122.9 Å²	122.9	49%	0.491	62%	0.618	S	S	.	*	H	α-helix	trans	-62.9	-40.5	177.1	175.5	0	0	0	0	111.2	E643 K649 E650 L651	E643-V647 WeakPolarHBondContact O-CG2 3.47Å; E643-V647 PolarHBondContact O-N 3.32Å; V647-K649 PolarHBondContact O-N 3.33Å; V647-E650 PolarHBondContact O-N 3.02Å; V647-L651 HydrophobicContact CG1-CD1 3.97Å; V647-L651 HydrophobicContact CG1-CG 4.4Å; V647-L651 WeakPolarHBondContact O-CG 3.43Å; V647-L651 PolarHBondContact O-N 3.2Å
648	E	58.6	Low	53.5	Low	120 Å²	120	121.9 Å²	121.9	56%	0.561	62%	0.623	S	S	*	*	H	α-helix	trans	-63.4	-28.9	174.5	-152.9	-149.8	149	0	0	112.6	E644 A646 K652	E644-E648 PolarHBondContact O-N 2.95Å; A646-E648 PolarHBondContact O-N 3.37Å; E648-K652 WeakPolarHBondContact O-CB 3.27Å; E648-K652 IonicContact OE1-NZ 2.91Å
649	K	55	Low	51.9	Low	154 Å²	154	121.3 Å²	121.3	67%	0.67	63%	0.625	S	S	*	*	H	α-helix	trans	-72.5	-46.6	172.4	-81.7	177.4	175.7	176.1	0	112.2	K645 A646 V647 L651 K652 W653	K645-K649 PolarHBondContact O-N 3.12Å; A646-K649 WeakPolarHBondContact O-CB 3.43Å; A646-K649 PolarHBondContact O-N 3.44Å; V647-K649 PolarHBondContact O-N 3.33Å; K649-L651 PolarHBondContact O-N 2.92Å; K649-K652 WeakPolarHBondContact O-CA 3.38Å; K649-K652 VanDerWaalsContact O-CB 3.28Å; K649-K652 WeakPolarHBondContact O-CB 3.39Å; K649-K652 PolarHBondContact O-N 3.46Å; K649-W653 PolarHBondContact O-N 2.9Å; K649-W653 VanDerWaalsContact O-N 3.14Å
650	E	54.4	Low	50	Low	132 Å²	132	123.3 Å²	123.3	62%	0.617	63%	0.629	S	S	*	*	H	α-helix	trans	-63.8	-42.4	-178.3	-67.7	-158.8	143.3	0	0	112.4	A646 V647 K652 W653 N654	A646-E650 PolarHBondContact O-N 3.18Å; V647-E650 PolarHBondContact O-N 3.02Å; E650-K652 PolarHBondContact O-N 2.96Å; E650-K652 VanDerWaalsContact O-N 3.16Å; E650-W653 PolarHBondContact O-N 2.97Å; E650-W653 VanDerWaalsContact O-N 3.1Å; E650-N654 PolarHBondContact O-N 3.42Å; E650-N654 PolarHBondContact O-ND2 3.44Å
651	L	55.8	Low	47.7	Very low	113 Å²	113	127 Å²	127	59%	0.592	64%	0.636	S	S	*	*	H	α-helix	trans	-60.5	-24.3	174	-68.9	172.4	0	0	0	112.8	V647 K649 N655	V647-L651 HydrophobicContact CG1-CD1 3.97Å; V647-L651 HydrophobicContact CG1-CG 4.4Å; V647-L651 WeakPolarHBondContact O-CG 3.43Å; V647-L651 PolarHBondContact O-N 3.2Å; K649-L651 PolarHBondContact O-N 2.92Å; L651-N655 PolarHBondContact O-ND2 2.7Å
652	K	51.1	Low	45.8	Very low	145 Å²	145	129.1 Å²	129.1	63%	0.63	65%	0.647	S	S	*	*	H	α-helix	trans	-84.2	-25.9	177.4	-136.7	160.3	-165.7	153.8	0	113.2	E648 K649 E650	E648-K652 WeakPolarHBondContact O-CB 3.27Å; E648-K652 IonicContact OE1-NZ 2.91Å; K649-K652 WeakPolarHBondContact O-CA 3.38Å; K649-K652 VanDerWaalsContact O-CB 3.28Å; K649-K652 WeakPolarHBondContact O-CB 3.39Å; K649-K652 PolarHBondContact O-N 3.46Å; E650-K652 PolarHBondContact O-N 2.96Å; E650-K652 VanDerWaalsContact O-N 3.16Å
653	W	41.6	Very low	44.1	Very low	219 Å²	219	134.5 Å²	134.5	83%	0.83	66%	0.662	S	S	*	*	H	α-helix	trans	-84.2	-36.3	175.2	-86.2	23.4	0	0	0	112.7	K649 E650 N655 N656	K649-W653 PolarHBondContact O-N 2.9Å; K649-W653 VanDerWaalsContact O-N 3.14Å; E650-W653 PolarHBondContact O-N 2.97Å; E650-W653 VanDerWaalsContact O-N 3.1Å; W653-N655 PolarHBondContact O-N 2.9Å; W653-N656 PolarHBondContact O-N 3.46Å
654	N	38.2	Very low	42.3	Very low	131 Å²	131	133.5 Å²	133.5	70%	0.701	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	8.5	-175.2	-75.2	-28	0	0	0	116.1	E650	E650-N654 PolarHBondContact O-N 3.42Å; E650-N654 PolarHBondContact O-ND2 3.44Å
655	N	36.5	Very low	40.6	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-0.9	179.5	-80.3	-71.7	0	0	0	115	L651 W653	L651-N655 PolarHBondContact O-ND2 2.7Å; W653-N655 PolarHBondContact O-N 2.9Å
656	N	35.2	Very low	39.1	Very low	153 Å²	153	131.2 Å²	131.2	82%	0.818	68%	0.677	S	S	*	*	S	Bend	trans	-116	85.6	176.3	-81.2	-26.1	0	0	0	112.8	W653	W653-N656 PolarHBondContact O-N 3.46Å
657	S	33.8	Very low	37.4	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	70%	0.696	S	S	*	*			trans	-4.3	119.1	165.8	-176.2	0	0	0	0	120.4
658	S	30.1	Very low	35.6	Very low	92 Å²	92	139 Å²	139	64%	0.643	71%	0.708	S	S	*	*				32.1	121.5	129.9	-157.8	0	0	0	0	120.5
659	D	33.6	Very low	34.1	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	72%	0.715	S	S	*	*				-171.9	114.2	101.7	-101.5	1.5	0	0	0	116.6
660	K	30.3	Very low	32.6	Very low	147 Å²	147	137.3 Å²	137.3	64%	0.639	72%	0.715	S	S	*	*				67.4	130.2	126.4	-119.6	173.4	176.5	-161.4	0	125
661	Y	24	Very low	31.3	Very low	181 Å²	181	138.2 Å²	138.2	71%	0.71	72%	0.724	S	S	*	*			trans	78.5	153.1	157.8	-57	-65	0	0	0	119.9
662	Q	26.1	Very low	30	Very low	140 Å²	140	138.7 Å²	138.7	65%	0.654	73%	0.733	S	S	*	*			cis	-179.7	128.6	-49.2	164.5	165.1	7.2	0	0	111.2
663	E	23.3	Very low	29	Very low	152 Å²	152	137.9 Å²	137.9	71%	0.71	74%	0.74	S	S	*	*			trans	56.1	159.3	161.5	-81.9	174.5	102.8	0	0	119.7
664	V	23.2	Very low	28.3	Very low	114 Å²	114	134.7 Å²	134.7	69%	0.691	74%	0.74	S	S	*	*			cis	-152.9	152.6	8.4	-117.7	0	0	0	0	112
665	V	23.5	Very low	28	Very low	137 Å²	137	136.5 Å²	136.5	83%	0.83	75%	0.749	S	S	*	*			trans	64.4	131.5	142	178.3	0	0	0	0	123.6
666	S	24.2	Very low	27.6	Very low	103 Å²	103	135.5 Å²	135.5	72%	0.72	75%	0.752	S	S	*	*			trans	-58.9	168.8	178.7	-29.8	0	0	0	0	121.1
667	T	25.1	Very low	27.3	Very low	139 Å²	139	132.4 Å²	132.4	85%	0.853	76%	0.756	S	S	*	*				-167.2	165.7	125.9	10.3	0	0	0	0	114.2
668	Q	24.7	Very low	27.1	Very low	158 Å²	158	130.5 Å²	130.5	74%	0.738	75%	0.754	S	S	*	*			trans	-49.2	166.9	175.9	-103.9	77.4	0.4	0	0	115.7
669	T	25.7	Very low	27.3	Very low	116 Å²	116	132.2 Å²	132.2	71%	0.712	76%	0.756	S	S	*	*			cis	-151.5	133.3	43.5	51.6	0	0	0	0	111.1
670	D	23.2	Very low	28.1	Very low	123 Å²	123	130.3 Å²	130.3	66%	0.658	75%	0.754	S	S	*	*				107	144.8	75.2	-68.2	-25.6	0	0	0	113.8
671	N	27.5	Very low	28.9	Very low	152 Å²	152	127.4 Å²	127.4	81%	0.813	75%	0.748	S	S	*	*			trans	66.2	104.2	165.3	-61.9	-27.2	0	0	0	121.1
672	P	28.7	Very low	29.8	Very low	122 Å²	122	125.3 Å²	125.3	79%	0.792	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-78.5	148.9	153.8	34	-32.7	0	0	0	111.5
673	V	30.8	Very low	31.2	Very low	128 Å²	128	121.9 Å²	121.9	78%	0.776	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-88.3	120.1	179.8	178.7	0	0	0	0	110.9	L675	V673-L675 HydrophobicContact CG1-CG 4.36Å
674	N	27.1	Very low	32.8	Very low	153 Å²	153	119.5 Å²	119.5	82%	0.818	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-68.5	131.1	166.2	-74.8	-36.5	0	0	0	110.5
675	L	32.4	Very low	34.2	Very low	169 Å²	169	120.6 Å²	120.6	89%	0.885	73%	0.73	S	S	*	*			trans	-127.9	103.7	163.1	-72	178.3	0	0	0	109.6	V673	V673-L675 HydrophobicContact CG1-CG 4.36Å
676	S	27.7	Very low	36	Very low	113 Å²	113	119.1 Å²	119.1	79%	0.79	72%	0.717	S	S	*	*			trans	-101.3	130.8	176.3	55.6	0	0	0	0	110.9
677	G	28	Very low	38	Very low	87 Å²	87	120 Å²	120	90%	0.897	71%	0.714	S	S	*	*			trans	75.4	109.7	161	0	0	0	0	0	116.2
678	G	29.2	Very low	39.9	Very low	73 Å²	73	117.6 Å²	117.6	75%	0.753	69%	0.694	S	S	*	*			trans	169.3	141.1	172.5	0	0	0	0	0	110.2
679	D	35.9	Very low	41.6	Very low	128 Å²	128	111.9 Å²	111.9	68%	0.684	67%	0.674	S	S	*	*			trans	-57	139.1	-169.7	-71.7	-47.1	0	0	0	113.6	T681 E682	D679-T681 PolarHBondContact O-N 3.43Å; D679-E682 PolarHBondContact O-N 3.32Å
680	S	49.1	Very low	43.6	Very low	101 Å²	101	110 Å²	110	71%	0.706	66%	0.662	S	S	*	*	H	α-helix	trans	-58	-20.6	-177.9	54.4	0	0	0	0	114.1	L684	S680-L684 WeakPolarHBondContact O-CB 3.34Å; S680-L684 PolarHBondContact O-N 3.26Å
681	T	47.2	Very low	45.2	Very low	86 Å²	86	106.9 Å²	106.9	53%	0.528	65%	0.654	S	S	.	*	H	α-helix	trans	-70.1	-36.3	176.7	51.2	0	0	0	0	113.2	D679 H685	D679-T681 PolarHBondContact O-N 3.43Å; T681-H685 WeakPolarHBondContact O-CB 3.39Å; T681-H685 PolarHBondContact O-CD2 2.98Å; T681-H685 PolarHBondContact O-N 2.97Å
682	E	43.2	Very low	46.8	Very low	137 Å²	137	103.8 Å²	103.8	64%	0.64	64%	0.64	S	S	*	*	H	α-helix	trans	-76.5	-35	177.7	-68.5	-154.9	149.2	0	0	112.1	D679 H685 N686	D679-E682 PolarHBondContact O-N 3.32Å; E682-H685 PolarHBondContact O-N 3.47Å; E682-N686 WeakPolarHBondContact O-CB 3.47Å; E682-N686 PolarHBondContact O-N 2.9Å; E682-N686 PolarHBondContact O-ND2 2.91Å
683	A	56	Low	48.2	Very low	68 Å²	68	104.6 Å²	104.6	56%	0.562	63%	0.627	S	S	*	*	H	α-helix	trans	-60.3	-46.2	172	0	0	0	0	0	111.1	N686 L687	A683-N686 PolarHBondContact O-N 3.04Å; A683-L687 WeakPolarHBondContact O-CB 3.18Å; A683-L687 PolarHBondContact O-N 3.13Å
684	L	55.4	Low	49.8	Very low	103 Å²	103	101.4 Å²	101.4	54%	0.539	61%	0.611	S	S	.	*	H	α-helix	trans	-61.3	-47.4	175.4	-168.4	81.3	0	0	0	111.9	S680 N686 L687 I688	S680-L684 WeakPolarHBondContact O-CB 3.34Å; S680-L684 PolarHBondContact O-N 3.26Å; L684-N686 PolarHBondContact O-N 3.44Å; L684-L687 PolarHBondContact O-N 3.43Å; L684-I688 HydrophobicContact CD2-CD1 4.27Å; L684-I688 HydrophobicContact CG-CD1 3.92Å; L684-I688 VanDerWaalsContact O-CG1 3.31Å; L684-I688 WeakPolarHBondContact O-CG1 3.39Å; L684-I688 PolarHBondContact O-N 2.91Å
685	H	52.6	Low	51.1	Low	137 Å²	137	99.6 Å²	99.6	63%	0.634	60%	0.601	S	S	*	*	H	α-helix	trans	-61.6	-40.6	179.1	-99.2	-75.4	0	0	0	112.7	T681 E682 A689	T681-H685 WeakPolarHBondContact O-CB 3.39Å; T681-H685 PolarHBondContact O-CD2 2.98Å; T681-H685 PolarHBondContact O-N 2.97Å; E682-H685 PolarHBondContact O-N 3.47Å; H685-A689 VanDerWaalsContact O-CB 3.26Å; H685-A689 WeakPolarHBondContact O-CB 3.23Å; H685-A689 PolarHBondContact O-N 3.47Å
686	N	61.5	Low	52	Low	105 Å²	105	99.4 Å²	99.4	56%	0.561	59%	0.593	S	S	*	*	H	α-helix	trans	-68.5	-40.8	176.7	-78.3	-57.4	0	0	0	112.2	E682 A683 L684 A689 V690	E682-N686 WeakPolarHBondContact O-CB 3.47Å; E682-N686 PolarHBondContact O-N 2.9Å; E682-N686 PolarHBondContact O-ND2 2.91Å; A683-N686 PolarHBondContact O-N 3.04Å; L684-N686 PolarHBondContact O-N 3.44Å; N686-A689 PolarHBondContact O-N 2.83Å; N686-V690 WeakPolarHBondContact O-CG2 3.32Å; N686-V690 PolarHBondContact O-N 2.84Å
687	L	67.5	Low	52.9	Low	123 Å²	123	99.2 Å²	99.2	64%	0.644	58%	0.579	S	S	*	*	H	α-helix	trans	-61.4	-45.7	175.6	-173.2	67	0	0	0	111.6	A683 L684 A689 V690 A691	A683-L687 WeakPolarHBondContact O-CB 3.18Å; A683-L687 PolarHBondContact O-N 3.13Å; L684-L687 PolarHBondContact O-N 3.43Å; L687-A689 VanDerWaalsContact C-N 3.35Å; L687-A689 PolarHBondContact O-N 2.83Å; L687-V690 PolarHBondContact O-N 3.28Å; L687-A691 WeakPolarHBondContact O-CB 3.41Å; L687-A691 PolarHBondContact O-N 2.84Å
688	I	65	Low	53.7	Low	88 Å²	88	98.5 Å²	98.5	45%	0.451	57%	0.565	S	S	.	*	H	α-helix	trans	-62.4	-41.9	174.8	-68.3	168.1	0	0	0	110.8	L684 V690 A691 T692	L684-I688 HydrophobicContact CD2-CD1 4.27Å; L684-I688 HydrophobicContact CG-CD1 3.92Å; L684-I688 VanDerWaalsContact O-CG1 3.31Å; L684-I688 WeakPolarHBondContact O-CG1 3.39Å; L684-I688 PolarHBondContact O-N 2.91Å; I688-V690 VanDerWaalsContact C-N 3.34Å; I688-V690 PolarHBondContact O-N 3.19Å; I688-A691 PolarHBondContact O-N 3.16Å; I688-T692 VanDerWaalsContact O-CB 3.32Å; I688-T692 WeakPolarHBondContact O-CB 3.49Å; I688-T692 PolarHBondContact O-N 3.34Å; I688-T692 PolarHBondContact O-OG1 3.37Å
689	A	60.6	Low	54.4	Low	37 Å²	37	103.1 Å²	103.1	31%	0.306	56%	0.564	S	S	.	*	H	α-helix	trans	-65.5	-34.6	179.1	0	0	0	0	0	113	H685 N686 L687 R693	H685-A689 VanDerWaalsContact O-CB 3.26Å; H685-A689 WeakPolarHBondContact O-CB 3.23Å; H685-A689 PolarHBondContact O-N 3.47Å; N686-A689 PolarHBondContact O-N 2.83Å; L687-A689 VanDerWaalsContact C-N 3.35Å; L687-A689 PolarHBondContact O-N 2.83Å; A689-R693 PolarHBondContact O-N 3.21Å
690	V	66.1	Low	54.5	Low	76 Å²	76	104.5 Å²	104.5	46%	0.461	57%	0.567	S	S	.	*	H	α-helix	trans	-69.3	-52.5	172.4	170.3	0	0	0	0	110.7	N686 L687 I688 T692 R693 S694	N686-V690 WeakPolarHBondContact O-CG2 3.32Å; N686-V690 PolarHBondContact O-N 2.84Å; L687-V690 PolarHBondContact O-N 3.28Å; I688-V690 VanDerWaalsContact C-N 3.34Å; I688-V690 PolarHBondContact O-N 3.19Å; V690-T692 VanDerWaalsContact C-N 3.28Å; V690-T692 PolarHBondContact O-N 3.49Å; V690-R693 WeakPolarHBondContact O-CA 3.24Å; V690-R693 WeakPolarHBondContact O-CB 3.47Å; V690-R693 PolarHBondContact O-N 3.47Å; V690-S694 PolarHBondContact O-N 3.34Å; V690-S694 PolarHBondContact O-OG 3.47Å
691	A	56.7	Low	53.6	Low	59 Å²	59	110.5 Å²	110.5	49%	0.488	57%	0.574	S	S	.	*	H	α-helix	trans	-57.5	-40.1	179.6	0	0	0	0	0	112.6	L687 I688 R693 S694 L695	L687-A691 WeakPolarHBondContact O-CB 3.41Å; L687-A691 PolarHBondContact O-N 2.84Å; I688-A691 PolarHBondContact O-N 3.16Å; A691-R693 VanDerWaalsContact C-N 3.31Å; A691-R693 PolarHBondContact O-N 2.8Å; A691-S694 PolarHBondContact O-N 2.93Å; A691-L695 WeakPolarHBondContact O-CB 3.39Å; A691-L695 PolarHBondContact O-N 2.84Å
692	T	61.3	Low	53	Low	86 Å²	86	114 Å²	114	53%	0.528	59%	0.59	S	S	.	*	H	α-helix	trans	-66	-31.9	176.2	-52.2	0	0	0	0	112.3	I688 V690 K696	I688-T692 VanDerWaalsContact O-CB 3.32Å; I688-T692 WeakPolarHBondContact O-CB 3.49Å; I688-T692 PolarHBondContact O-N 3.34Å; I688-T692 PolarHBondContact O-OG1 3.37Å; V690-T692 VanDerWaalsContact C-N 3.28Å; V690-T692 PolarHBondContact O-N 3.49Å; T692-K696 WeakPolarHBondContact O-CB 3.45Å; T692-K696 PolarHBondContact O-N 3.42Å
693	R	57.9	Low	52.5	Low	139 Å²	139	116.4 Å²	116.4	53%	0.525	60%	0.598	S	S	.	*	H	α-helix	trans	-70.5	-50.8	175.9	-131.9	174.8	-71.5	131.2	-1.1	110.8	A689 V690 A691 L695 K696 E697	A689-R693 PolarHBondContact O-N 3.21Å; V690-R693 WeakPolarHBondContact O-CA 3.24Å; V690-R693 WeakPolarHBondContact O-CB 3.47Å; V690-R693 PolarHBondContact O-N 3.47Å; A691-R693 VanDerWaalsContact C-N 3.31Å; A691-R693 PolarHBondContact O-N 2.8Å; R693-L695 VanDerWaalsContact C-N 3.3Å; R693-L695 PolarHBondContact O-N 3.47Å; R693-K696 WeakPolarHBondContact O-CA 3.36Å; R693-K696 WeakPolarHBondContact O-CB 3.38Å; R693-K696 PolarHBondContact O-N 3.04Å; R693-E697 WeakPolarHBondContact CG-OE1 3.46Å; R693-E697 WeakPolarHBondContact O-CG 3.45Å; R693-E697 PolarHBondContact O-N 2.96Å
694	S	64.4	Low	51.5	Low	62 Å²	62	120 Å²	120	43%	0.434	61%	0.607	S	S	.	*	H	α-helix	trans	-60.8	-36.5	177.3	-55.3	0	0	0	0	112.9	V690 A691 K696 E697 A698	V690-S694 PolarHBondContact O-N 3.34Å; V690-S694 PolarHBondContact O-OG 3.47Å; A691-S694 PolarHBondContact O-N 2.93Å; S694-K696 VanDerWaalsContact C-N 3.29Å; S694-K696 PolarHBondContact O-N 2.85Å; S694-E697 PolarHBondContact O-N 3.23Å; S694-A698 VanDerWaalsContact O-CB 3.24Å; S694-A698 WeakPolarHBondContact O-CB 3.43Å; S694-A698 PolarHBondContact O-N 3.47Å
695	L	54.4	Low	50.9	Low	115 Å²	115	122 Å²	122	60%	0.602	62%	0.619	S	S	*	*	H	α-helix	trans	-68.4	-27	174.4	-166.3	71.9	0	0	0	113	A691 R693	A691-L695 WeakPolarHBondContact O-CB 3.39Å; A691-L695 PolarHBondContact O-N 2.84Å; R693-L695 VanDerWaalsContact C-N 3.3Å; R693-L695 PolarHBondContact O-N 3.47Å
696	K	51.3	Low	50.3	Low	164 Å²	164	122.3 Å²	122.3	71%	0.713	63%	0.625	S	S	*	*	H	α-helix	trans	-80.2	-40.4	175.9	-166.2	175.2	-177.3	-178.8	0	111.4	T692 R693 S694 K699	T692-K696 WeakPolarHBondContact O-CB 3.45Å; T692-K696 PolarHBondContact O-N 3.42Å; R693-K696 WeakPolarHBondContact O-CA 3.36Å; R693-K696 WeakPolarHBondContact O-CB 3.38Å; R693-K696 PolarHBondContact O-N 3.04Å; S694-K696 VanDerWaalsContact C-N 3.29Å; S694-K696 PolarHBondContact O-N 2.85Å; K696-K699 PolarHBondContact O-N 3.34Å; K696-K699 VanDerWaalsContact O-N 3.17Å
697	E	47.3	Very low	49.1	Very low	110 Å²	110	124.3 Å²	124.3	51%	0.514	64%	0.636	S	S	.	*	H	α-helix	trans	-62.2	-43.2	173	-71.1	151.7	-162.2	0	0	111.1	R693 S694 K699 Q700	R693-E697 WeakPolarHBondContact CG-OE1 3.46Å; R693-E697 WeakPolarHBondContact O-CG 3.45Å; R693-E697 PolarHBondContact O-N 2.96Å; S694-E697 PolarHBondContact O-N 3.23Å; E697-K699 PolarHBondContact O-N 3.12Å; E697-K699 VanDerWaalsContact O-N 3.13Å; E697-Q700 WeakPolarHBondContact O-CB 3.29Å; E697-Q700 PolarHBondContact O-N 2.85Å
698	A	45.1	Very low	47.7	Very low	72 Å²	72	124.7 Å²	124.7	60%	0.595	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-10.1	174.4	0	0	0	0	0	114.9	S694	S694-A698 VanDerWaalsContact O-CB 3.24Å; S694-A698 WeakPolarHBondContact O-CB 3.43Å; S694-A698 PolarHBondContact O-N 3.47Å
699	K	43.6	Very low	46.4	Very low	169 Å²	169	128.6 Å²	128.6	74%	0.735	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-0.2	172.9	-78	-174.2	174.3	-175.3	0	113.9	K696 E697	K696-K699 PolarHBondContact O-N 3.34Å; K696-K699 VanDerWaalsContact O-N 3.17Å; E697-K699 PolarHBondContact O-N 3.12Å; E697-K699 VanDerWaalsContact O-N 3.13Å
700	Q	38.5	Very low	45.1	Very low	158 Å²	158	133.5 Å²	133.5	74%	0.738	68%	0.682	S	S	*	*	S	Bend	trans	-91	-8.3	178.7	-161.8	56	67.8	0	0	113.2	E697	E697-Q700 WeakPolarHBondContact O-CB 3.29Å; E697-Q700 PolarHBondContact O-N 2.85Å
701	W	30.2	Very low	43.7	Very low	226 Å²	226	138.6 Å²	138.6	86%	0.856	70%	0.7	S	S	*	*			trans	-107.7	74.6	179.3	-70.1	71.4	0	0	0	111
702	N	34.6	Very low	42.6	Very low	160 Å²	160	144 Å²	144	86%	0.856	72%	0.715	S	S	*	*			trans	-168.3	68.3	166.8	-100.1	-50.5	0	0	0	109.9
703	K	31.5	Very low	41.3	Very low	188 Å²	188	147.3 Å²	147.3	82%	0.817	73%	0.73	S	S	*	*			trans	-160.4	159.7	163.5	-119.5	-174.3	178.6	-164.8	0	108.6
704	D	36.2	Very low	40	Very low	142 Å²	142	144.3 Å²	144.3	76%	0.759	74%	0.735	S	S	*	*			trans	71.8	127.6	-176.9	-39	-24.7	0	0	0	109.5
705	D	42.9	Very low	38.5	Very low	146 Å²	146	149.6 Å²	149.6	78%	0.781	76%	0.756	S	S	*	*			cis	-142.6	178.2	20.1	-69.1	-65.7	0	0	0	114.1
706	D	40	Very low	37.2	Very low	144 Å²	144	148.1 Å²	148.1	77%	0.77	76%	0.761	S	S	*	*			trans	73	77.4	153.8	-60.1	-19.2	0	0	0	122.2
707	D	36.9	Very low	36.4	Very low	147 Å²	147	148.3 Å²	148.3	79%	0.786	77%	0.768	S	S	*	*				48.2	155	104.9	-65.8	-7.6	0	0	0	125.7
708	D	36.9	Very low	35.6	Very low	131 Å²	131	150.4 Å²	150.4	70%	0.701	78%	0.783	S	S	*	*			trans	62.3	110.8	158	-64.2	-8.5	0	0	0	122.2
709	N	37	Very low	34.9	Very low	169 Å²	169	155 Å²	155	90%	0.904	79%	0.792	S	S	*	*				-159.5	126	121.4	-104.6	-98.1	0	0	0	109.2
710	D	34.7	Very low	34.4	Very low	141 Å²	141	152.2 Å²	152.2	75%	0.754	79%	0.794	S	S	*	*			trans	-68.3	174.1	177.5	-53.8	-84.2	0	0	0	112.2
711	E	35.7	Very low	34.3	Very low	183 Å²	183	149.4 Å²	149.4	86%	0.855	79%	0.791	S	S	*	*			cis	-163.2	179.4	39.8	-159	164	-167.2	0	0	113.1
712	E	34.8	Very low	34.4	Very low	171 Å²	171	145.3 Å²	145.3	80%	0.799	79%	0.785	S	S	*	*			trans	-46.7	164.6	-171.6	-63.7	-166	147.7	0	0	117.3
713	D	32.9	Very low	34.2	Very low	157 Å²	157	145 Å²	145	84%	0.84	78%	0.783	S	S	*	*				-163.7	175.9	51	-157.6	-11	0	0	0	114
714	A	31.7	Very low	34	Very low	76 Å²	76	141.4 Å²	141.4	63%	0.628	78%	0.781	S	S	*	*			trans	-96.5	168.9	-154.3	0	0	0	0	0	117
715	I	31.9	Very low	33.4	Very low	172 Å²	172	141.4 Å²	141.4	88%	0.882	78%	0.781	S	S	*	*				-175.8	140.6	114.4	-91.6	156.7	0	0	0	109.9
716	A	27.1	Very low	32.6	Very low	85 Å²	85	141.5 Å²	141.5	70%	0.702	78%	0.778	S	S	*	*			trans	-88.8	168.3	-178.2	0	0	0	0	0	113.6
717	I	35	Very low	32	Very low	168 Å²	168	142.6 Å²	142.6	86%	0.862	78%	0.779	S	S	*	*			trans	-158.6	119.2	139.4	-108	155	0	0	0	112.8
718	D	31.3	Very low	31.4	Very low	153 Å²	153	144 Å²	144	82%	0.818	77%	0.774	S	S	*	*			trans	68.1	145.2	149.1	-137.3	4.2	0	0	0	123.5
719	E	29.7	Very low	31	Very low	170 Å²	170	145.2 Å²	145.2	79%	0.794	78%	0.78	S	S	*	*			trans	-98.2	173.5	174.9	-59.6	-177.6	150.4	0	0	109.4
720	S	32.6	Very low	30.4	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	77%	0.769	S	S	*	*				162.9	178.4	72.7	49.9	0	0	0	0	110.9
721	S	35.7	Very low	30	Very low	99 Å²	99	141.2 Å²	141.2	69%	0.692	76%	0.762	S	S	*	*			trans	82.3	96	-177.2	-158.8	0	0	0	0	114.1
722	I	33.2	Very low	29.6	Very low	140 Å²	140	139.1 Å²	139.1	72%	0.718	76%	0.757	S	S	*	*				71.1	127	67.9	-59	162.9	0	0	0	109.8
723	D	29.7	Very low	29.3	Very low	153 Å²	153	137 Å²	137	82%	0.818	75%	0.751	S	S	*	*			cis	-135.3	176.1	32.7	-138.1	-30.8	0	0	0	116.2
724	C	28.2	Very low	29.2	Very low	114 Å²	114	135.2 Å²	135.2	77%	0.77	74%	0.741	S	S	*	*			trans	-107	169.4	-156.8	-69	0	0	0	0	118.3
725	D	23.6	Very low	29.1	Very low	142 Å²	142	138 Å²	138	76%	0.759	75%	0.746	S	S	*	*			trans	-60.6	175.6	167.6	-68.1	-71.2	0	0	0	116.6
726	M	25.5	Very low	29.1	Very low	147 Å²	147	136.8 Å²	136.8	72%	0.724	74%	0.741	S	S	*	*			trans	75.6	162.9	151.6	-89.9	-172.6	-69.7	0	0	117.5	Y728	M726-Y728 HydrophobicContact CG-CD2 4.25Å; M726-Y728 HydrophobicContact CG-CE2 4.19Å; M726-Y728 HydrophobicContact SD-CD2 3.99Å; M726-Y728 HydrophobicContact SD-CE2 3.67Å
727	E	27.7	Very low	29.4	Very low	168 Å²	168	137.2 Å²	137.2	79%	0.785	75%	0.745	S	S	*	*			cis	-141.7	153.7	20.8	-142.6	174.7	-173.2	0	0	114.2
728	Y	24.2	Very low	29.2	Very low	175 Å²	175	137.8 Å²	137.8	69%	0.686	75%	0.749	S	S	*	*			trans	-5.3	160.8	147.4	-66.6	-106	0	0	0	120.3	M726	M726-Y728 HydrophobicContact CG-CD2 4.25Å; M726-Y728 HydrophobicContact CG-CE2 4.19Å; M726-Y728 HydrophobicContact SD-CD2 3.99Å; M726-Y728 HydrophobicContact SD-CE2 3.67Å
729	L	29.3	Very low	29.1	Very low	158 Å²	158	138.3 Å²	138.3	83%	0.827	75%	0.752	S	S	*	*				-161.7	178.4	50.3	-72.2	160.9	0	0	0	110.9
730	N	24.2	Very low	29.3	Very low	124 Å²	124	135.8 Å²	135.8	66%	0.663	75%	0.753	S	S	*	*			cis	-178.5	164.2	-40.5	-168.6	6	0	0	0	108.7
731	V	26.9	Very low	29.2	Very low	102 Å²	102	135.9 Å²	135.9	62%	0.618	75%	0.754	S	S	*	*			trans	75.5	95.8	160.9	-167.3	0	0	0	0	120.3
732	N	26.1	Very low	29.2	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	76%	0.755	S	S	*	*				62.7	158.9	129	-55.2	6.3	0	0	0	120.6
733	N	28.5	Very low	29	Very low	127 Å²	127	137.9 Å²	137.9	68%	0.679	76%	0.763	S	S	*	*			cis	-157.4	163.5	21.4	-145.1	6.9	0	0	0	115.1
734	N	31.2	Very low	28.9	Very low	118 Å²	118	136.3 Å²	136.3	63%	0.631	75%	0.754	S	S	*	*			trans	75.2	122.3	159.7	-55.8	-17.4	0	0	0	120.9
735	N	30.1	Very low	29	Very low	136 Å²	136	136.7 Å²	136.7	73%	0.727	76%	0.758	S	S	*	*			trans	59.2	129	132.8	-58.2	24.5	0	0	0	118.8
736	D	30.9	Very low	29.3	Very low	145 Å²	145	137.8 Å²	137.8	78%	0.775	76%	0.763	S	S	*	*			cis	-152.3	176.7	19.4	-83.6	-49.7	0	0	0	111.4
737	A	34.2	Very low	29.4	Very low	95 Å²	95	140 Å²	140	79%	0.785	77%	0.769	S	S	*	*			trans	60.8	94.1	166.8	0	0	0	0	0	117.7	D739	A737-D739 PolarHBondContact O-N 2.95Å; A737-D739 VanDerWaalsContact O-N 3.08Å
738	N	30.6	Very low	29.6	Very low	179 Å²	179	139.1 Å²	139.1	96%	0.957	77%	0.765	S	S	*	*			trans	-75.3	90.6	170.5	-73.8	-25.7	0	0	0	112
739	D	29.3	Very low	29.9	Very low	165 Å²	165	139.6 Å²	139.6	88%	0.882	77%	0.773	S	S	*	*			trans	-87.8	131.7	162.1	-127.9	-26	0	0	0	109.8	A737	A737-D739 PolarHBondContact O-N 2.95Å; A737-D739 VanDerWaalsContact O-N 3.08Å
740	S	34	Very low	29.8	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	78%	0.777	S	S	*	*			trans	-96.8	134	-171.8	70	0	0	0	0	113.4
741	S	30	Very low	29.9	Very low	111 Å²	111	147.6 Å²	147.6	78%	0.776	79%	0.789	S	S	*	*			trans	-144.4	165	165.3	76.5	0	0	0	0	109.5
742	P	36.4	Very low	29.9	Very low	110 Å²	110	152.7 Å²	152.7	71%	0.714	80%	0.803	S	S	*	*			cis	-134.8	122.2	6.8	35.5	-15.5	0	0	0	115.4
743	I	28.2	Very low	29.9	Very low	171 Å²	171	151.9 Å²	151.9	88%	0.877	81%	0.808	S	S	*	*			trans	-127.5	72.9	157	-53.4	-178.3	0	0	0	108.6
744	N	27.7	Very low	29.9	Very low	119 Å²	119	151.7 Å²	151.7	64%	0.636	82%	0.817	S	S	*	*			trans	-154.3	47.6	-179.1	-114.8	-44.6	0	0	0	113
745	S	31.2	Very low	30	Very low	123 Å²	123	152 Å²	152	86%	0.86	83%	0.828	S	S	*	*	S	Bend	trans	-124.8	12.6	-178.1	-150.8	0	0	0	0	115
746	L	29.6	Very low	29.9	Very low	164 Å²	164	149.6 Å²	149.6	86%	0.859	84%	0.836	S	S	*	*	S	Bend	trans	-141.5	-4.3	-179.4	-156.8	58.6	0	0	0	115.6
747	F	28.2	Very low	29.9	Very low	194 Å²	194	146.3 Å²	146.3	85%	0.851	84%	0.836	S	S	*	*	S	Bend	trans	-125.1	24.4	-170	-112.1	-90.6	0	0	0	116
748	Q	30.9	Very low	29.7	Very low	149 Å²	149	149 Å²	149	70%	0.696	84%	0.837	S	S	*	*	S	Bend	trans	-112.1	2.2	176.9	-67.2	-163.6	10.8	0	0	115.7
749	Q	30.8	Very low	29.8	Very low	185 Å²	185	147.4 Å²	147.4	86%	0.864	83%	0.829	S	S	*	*	S	Bend	trans	-90.1	-1.9	-177.2	-70.9	-170.1	-2.2	0	0	115.9
750	F	26	Very low	29.8	Very low	206 Å²	206	145 Å²	145	90%	0.904	82%	0.82	S	S	*	*	S	Bend	trans	-125.3	9.9	-174.4	-84.5	-73.9	0	0	0	117.1
751	R	26.7	Very low	29.6	Very low	244 Å²	244	149.1 Å²	149.1	92%	0.921	82%	0.823	S	S	*	*			trans	-122.9	84	167.2	-76.1	-155.3	-171.4	-159.8	8.4	112.1
752	K	27.4	Very low	29.6	Very low	210 Å²	210	149.1 Å²	149.1	91%	0.913	82%	0.823	S	S	*	*			trans	-159.9	59.7	164.3	-129.2	171.7	-171.7	175.7	0	115.5
753	S	26.7	Very low	29.3	Very low	121 Å²	121	152 Å²	152	85%	0.846	83%	0.832	S	S	*	*			trans	-164.9	73.1	167.6	58	0	0	0	0	114
754	S	28.8	Very low	29.2	Very low	123 Å²	123	151 Å²	151	86%	0.86	83%	0.828	S	S	*	*			trans	179.9	103.8	141.3	-169.6	0	0	0	0	111.7
755	S	33.2	Very low	29	Very low	124 Å²	124	148.3 Å²	148.3	87%	0.867	83%	0.828	S	S	*	*			trans	-174.2	143.7	151.5	48.9	0	0	0	0	108.6
756	G	27.7	Very low	28.9	Very low	86 Å²	86	154 Å²	154	89%	0.887	83%	0.833	S	S	*	*			trans	-95.3	173.1	-173.8	0	0	0	0	0	114.6
757	G	31.3	Very low	28.6	Very low	76 Å²	76	151.4 Å²	151.4	78%	0.784	83%	0.828	S	S	*	*			trans	170.8	123.7	173.6	0	0	0	0	0	112.2
758	D	29.4	Very low	28.7	Very low	151 Å²	151	147.7 Å²	147.7	81%	0.807	82%	0.821	S	S	*	*			trans	-90.8	171.2	-169.1	-67	-69.1	0	0	0	115.7
759	N	33.3	Very low	28.4	Very low	146 Å²	146	147.3 Å²	147.3	78%	0.781	82%	0.824	S	S	*	*			trans	100.9	92	151.3	-64.8	-64.4	0	0	0	121.6
760	V	27.5	Very low	28.4	Very low	116 Å²	116	145.8 Å²	145.8	70%	0.703	82%	0.821	S	S	*	*				31.2	116	128.5	-142.2	0	0	0	0	119.9
761	K	31.4	Very low	28.5	Very low	202 Å²	202	141.8 Å²	141.8	88%	0.878	81%	0.809	S	S	*	*				-176.4	151.6	108.5	-96	156.5	-170.9	169.2	0	113.9
762	S	28.5	Very low	28.4	Very low	112 Å²	112	139.1 Å²	139.1	78%	0.783	80%	0.8	S	S	*	*			trans	-87.4	162.6	-170.5	-39.6	0	0	0	0	114
763	L	29.9	Very low	28.5	Very low	170 Å²	170	137.8 Å²	137.8	89%	0.89	80%	0.798	S	S	*	*				-164.3	158.1	129.5	-107.5	166.8	0	0	0	112.6
764	N	26.9	Very low	28.5	Very low	150 Å²	150	139.6 Å²	139.6	80%	0.802	79%	0.792	S	S	*	*			trans	-76.6	162.6	177.5	-52.8	-18.5	0	0	0	110.5
765	G	24.4	Very low	28.5	Very low	62 Å²	62	139.4 Å²	139.4	64%	0.639	79%	0.791	S	S	*	*			cis	116.7	125.8	6.1	0	0	0	0	0	112.5
766	Y	27.5	Very low	28.2	Very low	244 Å²	244	138.3 Å²	138.3	96%	0.957	78%	0.784	S	S	*	*			trans	-161.3	153.3	167.3	-99	-68.7	0	0	0	112.1
767	S	25.2	Very low	28.3	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	78%	0.782	S	S	*	*			trans	-93.3	-170.7	-179.6	-51.5	0	0	0	0	111.8
768	T	29.7	Very low	28.1	Very low	116 Å²	116	147.5 Å²	147.5	71%	0.712	79%	0.785	S	S	*	*			cis	-160.3	128	21.3	35.7	0	0	0	0	108.5
769	D	24.1	Very low	28.1	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	78%	0.784	S	S	*	*				90.3	164.7	100.6	-72	-58.9	0	0	0	118.4
770	L	30.3	Very low	27.8	Very low	154 Å²	154	143.4 Å²	143.4	81%	0.806	79%	0.785	S	S	*	*			trans	85.3	132.1	-179.8	-55.3	174.4	0	0	0	116.2
771	N	28.7	Very low	28.1	Very low	122 Å²	122	146.1 Å²	146.1	65%	0.652	80%	0.795	S	S	*	*			cis	-166	133.5	-12.3	-132.6	10.8	0	0	0	112.6
772	Y	25.4	Very low	28.2	Very low	187 Å²	187	147 Å²	147	73%	0.733	80%	0.799	S	S	*	*			trans	52.7	148.9	162.8	-72.5	-99.8	0	0	0	119.5	H774	Y772-H774 AromaticContact CD1-NE2 3.87Å; Y772-H774 AromaticContact CE1-NE2 3.67Å
773	Q	29	Very low	28.2	Very low	183 Å²	183	145.1 Å²	145.1	86%	0.855	80%	0.796	S	S	*	*			cis	-128.9	176.7	26.5	-72.3	-173.5	-16	0	0	115.4
774	H	25.6	Very low	28.5	Very low	158 Å²	158	142.6 Å²	142.6	73%	0.731	79%	0.788	S	S	*	*			trans	-54.3	159.9	171.8	-54.1	-84.2	0	0	0	113	Y772	Y772-H774 AromaticContact CD1-NE2 3.87Å; Y772-H774 AromaticContact CE1-NE2 3.67Å
775	S	29.2	Very low	28.9	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	78%	0.782	S	S	*	*			cis	-150	179.9	40.8	63.2	0	0	0	0	115.4
776	S	26.5	Very low	30	Very low	101 Å²	101	141.9 Å²	141.9	71%	0.706	79%	0.785	S	S	*	*			trans	-109.8	155.7	-179.1	169.9	0	0	0	0	111.1
777	P	31.8	Very low	30.4	Very low	130 Å²	130	133.6 Å²	133.6	84%	0.844	77%	0.767	S	S	*	*			trans	-120	156.2	135.6	35.8	-31.1	0	0	0	112.4
778	R	26.4	Very low	31	Very low	225 Å²	225	130.8 Å²	130.8	85%	0.849	75%	0.75	S	S	*	*			trans	-128.7	129.8	-176.4	-175.7	-178.8	-176.8	-175.2	1.8	109.1
779	S	28.3	Very low	31.8	Very low	113 Å²	113	128.2 Å²	128.2	79%	0.79	74%	0.737	S	S	*	*			trans	61.9	104.6	166.9	-57.4	0	0	0	0	119.4
780	A	28.7	Very low	32.8	Very low	97 Å²	97	123.8 Å²	123.8	80%	0.802	72%	0.716	S	S	*	*			trans	-160.8	150.4	139.7	0	0	0	0	0	112.1
781	L	33.7	Very low	33.7	Very low	173 Å²	173	124.7 Å²	124.7	91%	0.906	71%	0.708	S	S	*	*			trans	16.1	114	168.2	-87.8	60.2	0	0	0	120.2
782	K	32.6	Very low	34.6	Very low	222 Å²	222	127.6 Å²	127.6	97%	0.965	71%	0.71	S	S	*	*			trans	-100.3	93.9	163.9	-177	175.4	-177.7	176.5	0	109.4
783	G	27.8	Very low	35.5	Very low	71 Å²	71	124.5 Å²	124.5	73%	0.732	70%	0.697	S	S	*	*			trans	-166.5	9.6	-169.9	0	0	0	0	0	121.8
784	T	36.9	Very low	36.4	Very low	118 Å²	118	119.8 Å²	119.8	72%	0.724	68%	0.678	S	S	*	*			trans	-130.9	-16.1	-172.8	52.7	0	0	0	0	117.4	T786 A787	T784-T786 PolarHBondContact O-N 3.22Å; T784-A787 PolarHBondContact O-N 3.24Å
785	A	36.2	Very low	37.6	Very low	80 Å²	80	116.6 Å²	116.6	66%	0.661	66%	0.663	S	S	*	*	H	α-helix	trans	-60.2	-39.4	-168	0	0	0	0	0	114.9	S789	A785-S789 PolarHBondContact O-N 3.17Å
786	T	46.4	Very low	38.4	Very low	116 Å²	116	114 Å²	114	71%	0.712	65%	0.649	S	S	*	*	H	α-helix	trans	-68.8	-35.8	-175.8	-39.3	0	0	0	0	112.9	T784 T790	T784-T786 PolarHBondContact O-N 3.22Å; T786-T790 WeakPolarHBondContact O-CB 3.42Å; T786-T790 PolarHBondContact O-N 3.22Å; T786-T790 VanDerWaalsContact O-N 3.09Å; T786-T790 PolarHBondContact O-OG1 3.07Å; T786-T790 VanDerWaalsContact O-OG1 3.08Å
787	A	36.4	Very low	39.2	Very low	70 Å²	70	113.6 Å²	113.6	58%	0.579	64%	0.638	S	S	*	*	H	α-helix	trans	-69.3	-46.5	-178.5	0	0	0	0	0	111.4	T784 S789 T790 R791	T784-A787 PolarHBondContact O-N 3.24Å; A787-S789 PolarHBondContact O-N 3.21Å; A787-T790 PolarHBondContact O-N 3.3Å; A787-R791 WeakPolarHBondContact O-CB 3.42Å; A787-R791 PolarHBondContact O-N 3.19Å
788	A	38.5	Very low	39.8	Very low	49 Å²	49	110.9 Å²	110.9	41%	0.405	62%	0.615	S	S	.	*	H	α-helix	trans	-64.2	-38.5	178.1	0	0	0	0	0	112.8	R792	A788-R792 WeakPolarHBondContact O-CG 3.41Å; A788-R792 PolarHBondContact O-N 2.84Å
789	S	45.7	Very low	40.7	Very low	63 Å²	63	103.8 Å²	103.8	44%	0.441	59%	0.591	S	S	.	*	H	α-helix	trans	-62.9	-45.4	174.3	179.9	0	0	0	0	111.9	A785 A787 R793	A785-S789 PolarHBondContact O-N 3.17Å; A787-S789 PolarHBondContact O-N 3.21Å; S789-R793 PolarHBondContact O-N 3.13Å; S789-R793 VanDerWaalsContact O-N 3.14Å; S789-R793 PolarHBondContact OG-NH2 3.09Å
790	T	44.9	Very low	41.3	Very low	48 Å²	48	106.9 Å²	106.9	29%	0.294	59%	0.587	S	S	.	*	H	α-helix	trans	-72.1	-36.5	-179.3	-60.9	0	0	0	0	112.4	T786 A787 R793 N794	T786-T790 WeakPolarHBondContact O-CB 3.42Å; T786-T790 PolarHBondContact O-N 3.22Å; T786-T790 VanDerWaalsContact O-N 3.09Å; T786-T790 PolarHBondContact O-OG1 3.07Å; T786-T790 VanDerWaalsContact O-OG1 3.08Å; A787-T790 PolarHBondContact O-N 3.3Å; T790-R793 PolarHBondContact O-N 2.87Å; T790-R793 PolarHBondContact OG1-NH1 2.86Å; T790-N794 WeakPolarHBondContact O-CB 3.48Å; T790-N794 PolarHBondContact O-N 3.03Å; T790-N794 PolarHBondContact O-OD1 3.16Å
791	R	48.3	Very low	42.1	Very low	172 Å²	172	105 Å²	105	65%	0.649	56%	0.562	S	S	*	*	H	α-helix	trans	-58.5	-50.8	173.2	179.8	172	171.6	161.9	3	111.8	A787 R793 N794 E795	A787-R791 WeakPolarHBondContact O-CB 3.42Å; A787-R791 PolarHBondContact O-N 3.19Å; R791-R793 VanDerWaalsContact C-N 3.31Å; R791-R793 PolarHBondContact O-N 3.33Å; R791-N794 PolarHBondContact O-N 3.01Å; R791-E795 HydrophobicContact CG-CG 4.37Å; R791-E795 WeakPolarHBondContact CG-OE1 3.46Å; R791-E795 IonicContact CZ-OE1 2.64Å; R791-E795 IonicContact NE-OE1 3.56Å; R791-E795 PolarHBondContact NE-OE1 3.14Å; R791-E795 IonicContact NH2-OE1 3.12Å; R791-E795 PolarHBondContact NH2-OE1 2.85Å; R791-E795 VanDerWaalsContact NH2-OE1 3.15Å; R791-E795 WeakPolarHBondContact O-CB 3.5Å; R791-E795 WeakPolarHBondContact O-CG 3.46Å; R791-E795 PolarHBondContact O-N 3.21Å
792	R	48.7	Very low	42.6	Very low	183 Å²	183	103.5 Å²	103.5	69%	0.691	55%	0.545	S	S	*	.	H	α-helix	trans	-60.6	-38.3	176.8	-69.3	179.4	-168.2	160.4	3.5	112.8	A788 A796	A788-R792 WeakPolarHBondContact O-CG 3.41Å; A788-R792 PolarHBondContact O-N 2.84Å; R792-A796 WeakPolarHBondContact O-CB 3.48Å; R792-A796 PolarHBondContact O-N 3.06Å
793	R	45.2	Very low	43.1	Very low	122 Å²	122	98 Å²	98	46%	0.46	52%	0.523	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.1	-163.7	-171.8	-51.5	107.3	9.5	111.1	S789 T790 R791 A796 I797	S789-R793 PolarHBondContact O-N 3.13Å; S789-R793 VanDerWaalsContact O-N 3.14Å; S789-R793 PolarHBondContact OG-NH2 3.09Å; T790-R793 PolarHBondContact O-N 2.87Å; T790-R793 PolarHBondContact OG1-NH1 2.86Å; R791-R793 VanDerWaalsContact C-N 3.31Å; R791-R793 PolarHBondContact O-N 3.33Å; R793-A796 PolarHBondContact O-N 3.47Å; R793-I797 HydrophobicContact CG-CD1 4.23Å; R793-I797 WeakPolarHBondContact O-CD1 3.28Å; R793-I797 VanDerWaalsContact O-CG1 3.29Å; R793-I797 WeakPolarHBondContact O-CG1 3.44Å; R793-I797 PolarHBondContact O-N 3.06Å
794	N	46.7	Very low	43.8	Very low	85 Å²	85	97 Å²	97	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-70.5	-37.8	179.6	-65.3	6.8	0	0	0	111.7	T790 R791 I797 M798	T790-N794 WeakPolarHBondContact O-CB 3.48Å; T790-N794 PolarHBondContact O-N 3.03Å; T790-N794 PolarHBondContact O-OD1 3.16Å; R791-N794 PolarHBondContact O-N 3.01Å; N794-I797 PolarHBondContact O-N 3.24Å; N794-M798 WeakPolarHBondContact O-CB 3.48Å; N794-M798 VanDerWaalsContact O-CG 3.29Å; N794-M798 WeakPolarHBondContact O-CG 3.31Å; N794-M798 PolarHBondContact O-N 3.02Å
795	E	50.7	Low	44.1	Very low	91 Å²	91	93.7 Å²	93.7	43%	0.425	49%	0.487	S	S	.	.	H	α-helix	trans	-61.2	-44.4	172.6	-75.4	165.5	164.6	0	0	111	R791 M798 E799	R791-E795 HydrophobicContact CG-CG 4.37Å; R791-E795 WeakPolarHBondContact CG-OE1 3.46Å; R791-E795 IonicContact CZ-OE1 2.64Å; R791-E795 IonicContact NE-OE1 3.56Å; R791-E795 PolarHBondContact NE-OE1 3.14Å; R791-E795 IonicContact NH2-OE1 3.12Å; R791-E795 PolarHBondContact NH2-OE1 2.85Å; R791-E795 VanDerWaalsContact NH2-OE1 3.15Å; R791-E795 WeakPolarHBondContact O-CB 3.5Å; R791-E795 WeakPolarHBondContact O-CG 3.46Å; R791-E795 PolarHBondContact O-N 3.21Å; E795-M798 PolarHBondContact O-N 2.86Å; E795-E799 WeakPolarHBondContact O-CB 3.26Å; E795-E799 PolarHBondContact O-N 3.42Å
796	A	45.8	Very low	44.3	Very low	65 Å²	65	94.7 Å²	94.7	54%	0.537	48%	0.481	S	S	.	.	H	α-helix	trans	-64.6	-40.3	175.8	0	0	0	0	0	113.4	R792 R793 E799 Y800	R792-A796 WeakPolarHBondContact O-CB 3.48Å; R792-A796 PolarHBondContact O-N 3.06Å; R793-A796 PolarHBondContact O-N 3.47Å; A796-E799 PolarHBondContact O-N 3.09Å; A796-Y800 PolarHBondContact O-N 3.12Å
797	I	44.3	Very low	44.1	Very low	92 Å²	92	95.2 Å²	95.2	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-45.3	175.3	-69.7	163.3	0	0	0	110.7	R793 N794 E799 Y800 I801	R793-I797 HydrophobicContact CG-CD1 4.23Å; R793-I797 WeakPolarHBondContact O-CD1 3.28Å; R793-I797 VanDerWaalsContact O-CG1 3.29Å; R793-I797 WeakPolarHBondContact O-CG1 3.44Å; R793-I797 PolarHBondContact O-N 3.06Å; N794-I797 PolarHBondContact O-N 3.24Å; I797-E799 VanDerWaalsContact C-N 3.29Å; I797-E799 PolarHBondContact O-N 3.31Å; I797-Y800 PolarHBondContact O-N 3.08Å; I797-I801 HydrophobicContact CG2-CD1 3.93Å; I797-I801 VanDerWaalsContact O-CG1 3.31Å; I797-I801 WeakPolarHBondContact O-CG1 3.46Å; I797-I801 PolarHBondContact O-N 3.42Å
798	M	44.2	Very low	44.2	Very low	73 Å²	73	96.8 Å²	96.8	36%	0.36	47%	0.473	S	S	.	.	H	α-helix	trans	-63.9	-33.9	177.3	-75.1	-66.4	-64.2	0	0	112.5	N794 E795 I801 R802	N794-M798 WeakPolarHBondContact O-CB 3.48Å; N794-M798 VanDerWaalsContact O-CG 3.29Å; N794-M798 WeakPolarHBondContact O-CG 3.31Å; N794-M798 PolarHBondContact O-N 3.02Å; E795-M798 PolarHBondContact O-N 2.86Å; M798-I801 PolarHBondContact O-N 3.17Å; M798-R802 WeakPolarHBondContact O-CG 3.29Å; M798-R802 PolarHBondContact O-N 3.28Å
799	E	45	Very low	44.1	Very low	76 Å²	76	99.6 Å²	99.6	36%	0.355	48%	0.481	S	S	.	.	H	α-helix	trans	-74	-37.9	177.7	-165.7	53.3	-146.4	0	0	112.4	E795 A796 I797 I801 R802 Q803	E795-E799 WeakPolarHBondContact O-CB 3.26Å; E795-E799 PolarHBondContact O-N 3.42Å; A796-E799 PolarHBondContact O-N 3.09Å; I797-E799 VanDerWaalsContact C-N 3.29Å; I797-E799 PolarHBondContact O-N 3.31Å; E799-I801 VanDerWaalsContact C-N 3.32Å; E799-I801 PolarHBondContact O-N 3.27Å; E799-R802 PolarHBondContact O-N 3.14Å; E799-R802 WeakPolarHBondContact OE2-CD 3.38Å; E799-R802 IonicContact OE2-CZ 2.7Å; E799-R802 IonicContact OE2-NH1 2.83Å; E799-R802 PolarHBondContact OE2-NH1 3.42Å; E799-Q803 WeakPolarHBondContact O-CG 3.4Å; E799-Q803 PolarHBondContact O-N 3.09Å
800	Y	41.3	Very low	43.5	Very low	179 Å²	179	102.9 Å²	102.9	70%	0.702	49%	0.494	S	S	*	.	H	α-helix	trans	-59.4	-42.7	169.2	-175.6	-100.1	0	0	0	111.7	A796 I797 Q803 A804	A796-Y800 PolarHBondContact O-N 3.12Å; I797-Y800 PolarHBondContact O-N 3.08Å; Y800-Q803 PolarHBondContact O-N 3.08Å; Y800-A804 PolarHBondContact O-N 3.04Å
801	I	44.6	Very low	43	Very low	56 Å²	56	105.6 Å²	105.6	29%	0.287	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-39.7	175.1	-68	165.4	0	0	0	111.5	I797 M798 E799 A804 V805 L855	I797-I801 HydrophobicContact CG2-CD1 3.93Å; I797-I801 VanDerWaalsContact O-CG1 3.31Å; I797-I801 WeakPolarHBondContact O-CG1 3.46Å; I797-I801 PolarHBondContact O-N 3.42Å; M798-I801 PolarHBondContact O-N 3.17Å; E799-I801 VanDerWaalsContact C-N 3.32Å; E799-I801 PolarHBondContact O-N 3.27Å; I801-A804 PolarHBondContact O-N 2.93Å; I801-V805 WeakPolarHBondContact O-CG2 3.35Å; I801-V805 PolarHBondContact O-N 2.97Å; I801-V805 VanDerWaalsContact O-N 3.1Å; I801-L855 HydrophobicContact CG2-CD2 4.29Å
802	R	44.5	Very low	42	Very low	142 Å²	142	106.3 Å²	106.3	54%	0.536	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-45.4	173.8	-77.8	-169.8	-174.4	115	-0.2	112.2	M798 E799 A804 V805 L806	M798-R802 WeakPolarHBondContact O-CG 3.29Å; M798-R802 PolarHBondContact O-N 3.28Å; E799-R802 PolarHBondContact O-N 3.14Å; E799-R802 WeakPolarHBondContact OE2-CD 3.38Å; E799-R802 IonicContact OE2-CZ 2.7Å; E799-R802 IonicContact OE2-NH1 2.83Å; E799-R802 PolarHBondContact OE2-NH1 3.42Å; R802-A804 VanDerWaalsContact C-N 3.34Å; R802-A804 PolarHBondContact O-N 3.18Å; R802-V805 PolarHBondContact O-N 2.92Å; R802-L806 WeakPolarHBondContact O-CB 3.5Å; R802-L806 WeakPolarHBondContact O-CG 3.22Å; R802-L806 PolarHBondContact O-N 3.03Å
803	Q	44.2	Very low	41	Very low	108 Å²	108	103.8 Å²	103.8	51%	0.505	52%	0.52	S	S	.	.	H	α-helix	trans	-64.9	-39.6	179.9	-69.1	175.6	25.2	0	0	111.4	E799 Y800 V805 L806 I807	E799-Q803 WeakPolarHBondContact O-CG 3.4Å; E799-Q803 PolarHBondContact O-N 3.09Å; Y800-Q803 PolarHBondContact O-N 3.08Å; Q803-V805 PolarHBondContact O-N 3.39Å; Q803-L806 PolarHBondContact O-N 3.41Å; Q803-I807 WeakPolarHBondContact O-CD1 3.38Å; Q803-I807 VanDerWaalsContact O-CG1 3.29Å; Q803-I807 WeakPolarHBondContact O-CG1 3.21Å; Q803-I807 PolarHBondContact O-N 3.36Å; Q803-I807 VanDerWaalsContact O-N 3.16Å
804	A	41.5	Very low	40.1	Very low	49 Å²	49	103.6 Å²	103.6	41%	0.405	54%	0.535	S	S	.	.	H	α-helix	trans	-60.4	-41	173.4	0	0	0	0	0	113.1	Y800 I801 R802	Y800-A804 PolarHBondContact O-N 3.04Å; I801-A804 PolarHBondContact O-N 2.93Å; R802-A804 VanDerWaalsContact C-N 3.34Å; R802-A804 PolarHBondContact O-N 3.18Å
805	V	43.6	Very low	39.1	Very low	48 Å²	48	105.6 Å²	105.6	29%	0.291	55%	0.55	S	S	.	.	H	α-helix	trans	-71	-40.7	177	174.4	0	0	0	0	111.9	I801 R802 Q803 I807 Q808 D809	I801-V805 WeakPolarHBondContact O-CG2 3.35Å; I801-V805 PolarHBondContact O-N 2.97Å; I801-V805 VanDerWaalsContact O-N 3.1Å; R802-V805 PolarHBondContact O-N 2.92Å; Q803-V805 PolarHBondContact O-N 3.39Å; V805-I807 PolarHBondContact O-N 3.37Å; V805-Q808 WeakPolarHBondContact O-CB 3.49Å; V805-Q808 PolarHBondContact O-N 3.02Å; V805-D809 PolarHBondContact O-N 3.4Å; V805-D809 VanDerWaalsContact O-N 3.08Å
806	L	40.7	Very low	37.9	Very low	102 Å²	102	108.5 Å²	108.5	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-64	-23.4	177.4	-76.1	167.2	0	0	0	113.7	R802 Q803 N810	R802-L806 WeakPolarHBondContact O-CB 3.5Å; R802-L806 WeakPolarHBondContact O-CG 3.22Å; R802-L806 PolarHBondContact O-N 3.03Å; Q803-L806 PolarHBondContact O-N 3.41Å; L806-N810 PolarHBondContact O-ND2 2.96Å
807	I	40.7	Very low	37.2	Very low	126 Å²	126	113.7 Å²	113.7	65%	0.646	59%	0.586	S	S	*	*	H	α-helix	trans	-73.5	-31.3	172	-70.2	163.6	0	0	0	111.3	Q803 V805	Q803-I807 WeakPolarHBondContact O-CD1 3.38Å; Q803-I807 VanDerWaalsContact O-CG1 3.29Å; Q803-I807 WeakPolarHBondContact O-CG1 3.21Å; Q803-I807 PolarHBondContact O-N 3.36Å; Q803-I807 VanDerWaalsContact O-N 3.16Å; V805-I807 PolarHBondContact O-N 3.37Å
808	Q	40	Very low	36.4	Very low	104 Å²	104	116.4 Å²	116.4	49%	0.486	60%	0.6	S	S	.	*	H	α-helix	trans	-76.9	-45.3	176.4	-65.6	-177.3	-36.6	0	0	112.1	V805 N810 V811	V805-Q808 WeakPolarHBondContact O-CB 3.49Å; V805-Q808 PolarHBondContact O-N 3.02Å; Q808-N810 PolarHBondContact O-N 3.22Å; Q808-V811 PolarHBondContact O-N 3.46Å; Q808-V811 VanDerWaalsContact O-N 3.11Å
809	D	35.5	Very low	35.6	Very low	108 Å²	108	120.1 Å²	120.1	58%	0.578	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-5.5	-175.4	-68	-25.6	0	0	0	113.7	V805	V805-D809 PolarHBondContact O-N 3.4Å; V805-D809 VanDerWaalsContact O-N 3.08Å
810	N	34	Very low	35.1	Very low	131 Å²	131	126.5 Å²	126.5	70%	0.701	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	1.9	174.3	-81.5	-73	0	0	0	114.9	L806 Q808 H812	L806-N810 PolarHBondContact O-ND2 2.96Å; Q808-N810 PolarHBondContact O-N 3.22Å; N810-H812 VanDerWaalsContact C-N 3.29Å; N810-H812 PolarHBondContact O-N 3.45Å
811	V	33.1	Very low	34.4	Very low	105 Å²	105	123.7 Å²	123.7	64%	0.636	65%	0.649	S	S	*	*			trans	-83	75.3	175.6	-172.3	0	0	0	0	110.2	Q808 L813	Q808-V811 PolarHBondContact O-N 3.46Å; Q808-V811 VanDerWaalsContact O-N 3.11Å; V811-L813 HydrophobicContact CG1-CD1 4.48Å; V811-L813 PolarHBondContact O-N 2.94Å
812	H	28.3	Very low	33.8	Very low	187 Å²	187	127.3 Å²	127.3	87%	0.866	67%	0.67	S	S	*	*			trans	-73.5	109.4	168.7	-148.3	68.7	0	0	0	109	N810 P814	N810-H812 VanDerWaalsContact C-N 3.29Å; N810-H812 PolarHBondContact O-N 3.45Å; H812-P814 WeakPolarHBondContact O-CD 3.39Å
813	L	26.7	Very low	33	Very low	130 Å²	130	130.6 Å²	130.6	68%	0.681	68%	0.683	S	S	*	*			trans	-62.5	123.6	-175.9	-134.1	76.6	0	0	0	110.3	V811 T815	V811-L813 HydrophobicContact CG1-CD1 4.48Å; V811-L813 PolarHBondContact O-N 2.94Å; L813-T815 PolarHBondContact O-N 3.27Å
814	P	27.9	Very low	32.4	Very low	119 Å²	119	131.3 Å²	131.3	77%	0.773	70%	0.695	S	S	*	*			trans	-75.5	93	-178.9	29.4	-34	0	0	0	110.8	H812 N816	H812-P814 WeakPolarHBondContact O-CD 3.39Å; P814-N816 PolarHBondContact O-N 3.4Å
815	T	25.6	Very low	31.8	Very low	126 Å²	126	134.8 Å²	134.8	77%	0.773	71%	0.707	S	S	*	*			trans	-73.1	67.5	175	55	0	0	0	0	111.7	L813	L813-T815 PolarHBondContact O-N 3.27Å
816	N	25.1	Very low	31.3	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	73%	0.729	S	S	*	*			trans	-158.3	56.8	177.4	-99.6	-29	0	0	0	113.9	P814	P814-N816 PolarHBondContact O-N 3.4Å
817	L	30.1	Very low	30.8	Very low	175 Å²	175	141.7 Å²	141.7	92%	0.916	74%	0.744	S	S	*	*			trans	-134.2	65.1	162.3	-79	179.3	0	0	0	111.3
818	I	28.4	Very low	30.4	Very low	148 Å²	148	144.5 Å²	144.5	76%	0.759	76%	0.755	S	S	*	*			trans	-130.2	127.6	166.8	-67.8	179.4	0	0	0	108
819	N	27.2	Very low	30	Very low	151 Å²	151	147.7 Å²	147.7	81%	0.807	78%	0.775	S	S	*	*			trans	65.6	88.8	172.3	-57.4	-18.5	0	0	0	118.3
820	K	34.3	Very low	29.9	Very low	211 Å²	211	146.2 Å²	146.2	92%	0.917	77%	0.773	S	S	*	*				-157.4	154.5	116.4	-113.1	171.1	-178.5	-178.8	0	112.1
821	T	26.2	Very low	30.2	Very low	119 Å²	119	145.9 Å²	145.9	73%	0.73	77%	0.772	S	S	*	*			trans	-91.4	153.6	179.9	56.8	0	0	0	0	109.7
822	D	31.9	Very low	30.5	Very low	133 Å²	133	147.8 Å²	147.8	71%	0.711	78%	0.777	S	S	*	*				-163.4	159.2	78.7	-81.9	-23.4	0	0	0	113.8
823	Y	28.2	Very low	31.2	Very low	210 Å²	210	143 Å²	143	82%	0.824	76%	0.76	S	S	*	*			trans	-13.8	145.4	166.1	-58.1	-93.6	0	0	0	119.2
824	T	32.6	Very low	32	Very low	123 Å²	123	139.8 Å²	139.8	76%	0.755	75%	0.746	S	S	*	*			cis	-149.5	156.5	37.3	47.4	0	0	0	0	115.3
825	D	28.3	Very low	32.5	Very low	122 Å²	122	138.9 Å²	138.9	65%	0.652	74%	0.735	S	S	*	*			trans	31.6	116.9	148.1	-77.7	32.1	0	0	0	120
826	K	32.5	Very low	33.2	Very low	174 Å²	174	136.5 Å²	136.5	76%	0.757	72%	0.723	S	S	*	*				177.3	161.5	50.2	-113.6	164.1	-178.8	107	0	114
827	S	30.7	Very low	33.9	Very low	122 Å²	122	135 Å²	135	85%	0.853	71%	0.714	S	S	*	*			trans	76.6	148	158.8	76.8	0	0	0	0	119.5
828	Q	31.6	Very low	34.6	Very low	184 Å²	184	130.8 Å²	130.8	86%	0.86	69%	0.692	S	S	*	*			trans	-104.2	129.2	-176.8	-62.7	173	-38.9	0	0	110.5
829	N	31	Very low	35.6	Very low	171 Å²	171	128.5 Å²	128.5	91%	0.914	69%	0.686	S	S	*	*			trans	-174.2	68.6	160.8	-104.6	-22.4	0	0	0	111.4
830	S	35.2	Very low	36.7	Very low	78 Å²	78	125.3 Å²	125.3	55%	0.545	67%	0.671	S	S	.	*			trans	-152.8	28.2	-172	66.7	0	0	0	0	117.2
831	N	38.6	Very low	38	Very low	124 Å²	124	118.7 Å²	118.7	66%	0.663	65%	0.652	S	S	*	*	S	Bend	trans	-110.5	-26.6	176.1	-71.3	19.2	0	0	0	114.2	T834	N831-T834 PolarHBondContact O-OG1 3.1Å
832	I	40.1	Very low	39.3	Very low	145 Å²	145	122.4 Å²	122.4	74%	0.744	65%	0.653	S	S	*	*	H	α-helix	trans	-77.8	-34.2	179.7	-70.7	173.9	0	0	0	111.5	C836	I832-C836 PolarHBondContact O-N 3.43Å; I832-C836 PolarHBondContact O-SG 3.38Å
833	T	42.9	Very low	40.3	Very low	85 Å²	85	118.9 Å²	118.9	52%	0.521	64%	0.642	S	S	.	*	H	α-helix	trans	-70.5	-35.5	178.7	42.8	0	0	0	0	112.7	L837	T833-L837 VanDerWaalsContact O-CB 3.26Å; T833-L837 WeakPolarHBondContact O-CB 3.5Å; T833-L837 WeakPolarHBondContact O-CD1 3.45Å; T833-L837 WeakPolarHBondContact O-CG 3.49Å; T833-L837 PolarHBondContact O-N 2.97Å
834	T	43.5	Very low	41.6	Very low	63 Å²	63	113.1 Å²	113.1	39%	0.387	62%	0.624	S	S	.	*	H	α-helix	trans	-65.1	-43.7	-179.7	44	0	0	0	0	112.3	N831 L837 N838	N831-T834 PolarHBondContact O-OG1 3.1Å; T834-L837 PolarHBondContact O-N 3.24Å; T834-N838 WeakPolarHBondContact O-CB 3.29Å; T834-N838 PolarHBondContact O-N 3.08Å; T834-N838 PolarHBondContact O-ND2 3.45Å; T834-N838 VanDerWaalsContact O-ND2 3.12Å
835	D	37.8	Very low	42.8	Very low	100 Å²	100	109.6 Å²	109.6	54%	0.535	61%	0.608	S	S	.	*	H	α-helix	trans	-75.4	-39.2	-175.4	-64.2	-15.1	0	0	0	111.4	L837 N838 T839	D835-L837 VanDerWaalsContact C-N 3.35Å; D835-L837 PolarHBondContact O-N 3.5Å; D835-N838 PolarHBondContact O-N 2.93Å; D835-T839 PolarHBondContact O-N 3.11Å; D835-T839 PolarHBondContact O-OG1 2.98Å; D835-T839 VanDerWaalsContact O-OG1 3.1Å
836	C	40.2	Very low	44.2	Very low	76 Å²	76	107.1 Å²	107.1	51%	0.514	60%	0.6	S	S	.	*	H	α-helix	trans	-61.2	-42.4	172	-61.3	0	0	0	0	111.9	I832 V840	I832-C836 PolarHBondContact O-N 3.43Å; I832-C836 PolarHBondContact O-SG 3.38Å; C836-V840 WeakPolarHBondContact O-CB 3.36Å; C836-V840 VanDerWaalsContact O-CG2 3.31Å; C836-V840 WeakPolarHBondContact O-CG2 3.45Å; C836-V840 PolarHBondContact O-N 3.32Å; C836-V840 VanDerWaalsContact O-N 3.07Å
837	L	41.2	Very low	45.4	Very low	120 Å²	120	104.3 Å²	104.3	63%	0.628	59%	0.59	S	S	*	*	H	α-helix	trans	-67.4	-36.8	175.7	-74	169.8	0	0	0	112.2	T833 T834 D835 S841	T833-L837 VanDerWaalsContact O-CB 3.26Å; T833-L837 WeakPolarHBondContact O-CB 3.5Å; T833-L837 WeakPolarHBondContact O-CD1 3.45Å; T833-L837 WeakPolarHBondContact O-CG 3.49Å; T833-L837 PolarHBondContact O-N 2.97Å; T834-L837 PolarHBondContact O-N 3.24Å; D835-L837 VanDerWaalsContact C-N 3.35Å; D835-L837 PolarHBondContact O-N 3.5Å; L837-S841 WeakPolarHBondContact O-CB 3.43Å; L837-S841 PolarHBondContact O-N 3.16Å
838	N	44.6	Very low	47.1	Very low	87 Å²	87	103.3 Å²	103.3	47%	0.465	57%	0.574	S	S	.	*	H	α-helix	trans	-64.4	-49.7	175.2	-75.3	-30.8	0	0	0	111.3	T834 D835 V840 S841 W842	T834-N838 WeakPolarHBondContact O-CB 3.29Å; T834-N838 PolarHBondContact O-N 3.08Å; T834-N838 PolarHBondContact O-ND2 3.45Å; T834-N838 VanDerWaalsContact O-ND2 3.12Å; D835-N838 PolarHBondContact O-N 2.93Å; N838-V840 PolarHBondContact O-N 2.99Å; N838-S841 WeakPolarHBondContact O-CB 3.42Å; N838-S841 PolarHBondContact O-N 2.92Å; N838-W842 PolarHBondContact O-N 3.01Å
839	T	50.2	Low	48.8	Very low	101 Å²	101	99.4 Å²	99.4	62%	0.62	56%	0.556	S	S	*	*	H	α-helix	trans	-62.7	-42.6	-179.9	-54.7	0	0	0	0	111.9	D835 W842 A843	D835-T839 PolarHBondContact O-N 3.11Å; D835-T839 PolarHBondContact O-OG1 2.98Å; D835-T839 VanDerWaalsContact O-OG1 3.1Å; T839-W842 PolarHBondContact O-N 3.03Å; T839-A843 WeakPolarHBondContact O-CB 3.29Å; T839-A843 PolarHBondContact O-N 3.01Å
840	V	49.6	Very low	50.5	Low	83 Å²	83	95.4 Å²	95.4	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-67	-37.8	175.3	172.5	0	0	0	0	111.5	C836 N838 A843 L844	C836-V840 WeakPolarHBondContact O-CB 3.36Å; C836-V840 VanDerWaalsContact O-CG2 3.31Å; C836-V840 WeakPolarHBondContact O-CG2 3.45Å; C836-V840 PolarHBondContact O-N 3.32Å; C836-V840 VanDerWaalsContact O-N 3.07Å; N838-V840 PolarHBondContact O-N 2.99Å; V840-A843 PolarHBondContact O-N 3.05Å; V840-L844 HydrophobicContact CG1-CD1 3.82Å; V840-L844 HydrophobicContact CG1-CG 4.38Å; V840-L844 WeakPolarHBondContact O-CB 3.41Å; V840-L844 WeakPolarHBondContact O-CG 3.38Å; V840-L844 PolarHBondContact O-N 3.43Å
841	S	62.1	Low	52	Low	72 Å²	72	96.8 Å²	96.8	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-63	-44.4	174.6	-175	0	0	0	0	112	L837 N838 A845	L837-S841 WeakPolarHBondContact O-CB 3.43Å; L837-S841 PolarHBondContact O-N 3.16Å; N838-S841 WeakPolarHBondContact O-CB 3.42Å; N838-S841 PolarHBondContact O-N 2.92Å; S841-A845 WeakPolarHBondContact O-CB 3.46Å; S841-A845 PolarHBondContact O-N 2.71Å
842	W	51.9	Low	53.5	Low	198 Å²	198	96.3 Å²	96.3	75%	0.75	52%	0.521	S	S	*	.	H	α-helix	trans	-65.1	-43	175.6	-82	110.9	0	0	0	112.7	N838 T839 A845 S846	N838-W842 PolarHBondContact O-N 3.01Å; T839-W842 PolarHBondContact O-N 3.03Å; W842-A845 PolarHBondContact O-N 3.25Å; W842-S846 WeakPolarHBondContact O-CB 3.48Å; W842-S846 PolarHBondContact O-N 2.73Å
843	A	53.5	Low	54.9	Low	58 Å²	58	91.6 Å²	91.6	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-59.8	-51.8	176.1	0	0	0	0	0	111.5	T839 V840 A845 S846 E847	T839-A843 WeakPolarHBondContact O-CB 3.29Å; T839-A843 PolarHBondContact O-N 3.01Å; V840-A843 PolarHBondContact O-N 3.05Å; A843-A845 VanDerWaalsContact C-N 3.33Å; A843-A845 PolarHBondContact O-N 3.36Å; A843-S846 PolarHBondContact O-N 2.96Å; A843-E847 WeakPolarHBondContact O-CB 3.38Å; A843-E847 PolarHBondContact O-N 3.22Å
844	L	56.1	Low	56.3	Low	89 Å²	89	93.1 Å²	93.1	47%	0.466	50%	0.498	S	S	.	.	H	α-helix	trans	-63.4	-36.6	177.2	-70.6	170.8	0	0	0	112.3	V840 L848	V840-L844 HydrophobicContact CG1-CD1 3.82Å; V840-L844 HydrophobicContact CG1-CG 4.38Å; V840-L844 WeakPolarHBondContact O-CB 3.41Å; V840-L844 WeakPolarHBondContact O-CG 3.38Å; V840-L844 PolarHBondContact O-N 3.43Å; L844-L848 VanDerWaalsContact O-CB 3.23Å; L844-L848 WeakPolarHBondContact O-CB 3.49Å; L844-L848 WeakPolarHBondContact O-CD1 3.44Å; L844-L848 WeakPolarHBondContact O-CG 3.43Å; L844-L848 PolarHBondContact O-N 3.23Å
845	A	56.9	Low	57.6	Low	50 Å²	50	93.1 Å²	93.1	41%	0.413	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-37.7	175.9	0	0	0	0	0	112.2	S841 W842 A843 H849	S841-A845 WeakPolarHBondContact O-CB 3.46Å; S841-A845 PolarHBondContact O-N 2.71Å; W842-A845 PolarHBondContact O-N 3.25Å; A843-A845 VanDerWaalsContact C-N 3.33Å; A843-A845 PolarHBondContact O-N 3.36Å; A845-H849 WeakPolarHBondContact O-CB 3.29Å; A845-H849 PolarHBondContact O-N 3.17Å
846	S	58	Low	59.2	Low	70 Å²	70	94.6 Å²	94.6	49%	0.49	49%	0.494	S	S	.	.	H	α-helix	trans	-67.8	-48.7	175.4	-162.2	0	0	0	0	111.4	W842 A843 L848 H849 D850	W842-S846 WeakPolarHBondContact O-CB 3.48Å; W842-S846 PolarHBondContact O-N 2.73Å; A843-S846 PolarHBondContact O-N 2.96Å; S846-L848 PolarHBondContact O-N 2.93Å; S846-H849 CarbonylContact O-C 3.54Å; S846-H849 WeakPolarHBondContact O-CA 3.42Å; S846-H849 VanDerWaalsContact O-CB 3.27Å; S846-H849 WeakPolarHBondContact O-CB 3.38Å; S846-H849 PolarHBondContact O-N 2.95Å; S846-D850 PolarHBondContact O-N 3.45Å
847	E	58.6	Low	60.8	Low	115 Å²	115	97.1 Å²	97.1	54%	0.537	50%	0.496	S	S	.	.	H	α-helix	trans	-61.9	-41.8	178.5	-168.8	170.6	-133.8	0	0	112	A843 H849 D850 H851	A843-E847 WeakPolarHBondContact O-CB 3.38Å; A843-E847 PolarHBondContact O-N 3.22Å; E847-H849 VanDerWaalsContact C-N 3.32Å; E847-H849 PolarHBondContact O-N 3.41Å; E847-D850 PolarHBondContact O-N 2.92Å; E847-H851 PolarHBondContact O-CD2 3.31Å; E847-H851 PolarHBondContact O-N 2.95Å
848	L	64.7	Low	62.5	Low	100 Å²	100	97.4 Å²	97.4	52%	0.524	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-33.2	170.5	-73.7	170.4	0	0	0	112.8	L844 S846 R852	L844-L848 VanDerWaalsContact O-CB 3.23Å; L844-L848 WeakPolarHBondContact O-CB 3.49Å; L844-L848 WeakPolarHBondContact O-CD1 3.44Å; L844-L848 WeakPolarHBondContact O-CG 3.43Å; L844-L848 PolarHBondContact O-N 3.23Å; S846-L848 PolarHBondContact O-N 2.93Å; L848-R852 VanDerWaalsContact O-CB 3.28Å; L848-R852 WeakPolarHBondContact O-CB 3.38Å; L848-R852 PolarHBondContact O-N 3.38Å
849	H	68.6	Low	64	Low	103 Å²	103	96.3 Å²	96.3	48%	0.477	48%	0.484	S	S	.	.	H	α-helix	trans	-67	-44.8	175	-165	104.9	0	0	0	111.2	A845 S846 E847 R852 I853	A845-H849 WeakPolarHBondContact O-CB 3.29Å; A845-H849 PolarHBondContact O-N 3.17Å; S846-H849 CarbonylContact O-C 3.54Å; S846-H849 WeakPolarHBondContact O-CA 3.42Å; S846-H849 VanDerWaalsContact O-CB 3.27Å; S846-H849 WeakPolarHBondContact O-CB 3.38Å; S846-H849 PolarHBondContact O-N 2.95Å; E847-H849 VanDerWaalsContact C-N 3.32Å; E847-H849 PolarHBondContact O-N 3.41Å; H849-R852 CarbonylContact O-C 3.47Å; H849-R852 WeakPolarHBondContact O-CA 3.31Å; H849-R852 WeakPolarHBondContact O-CB 3.46Å; H849-R852 PolarHBondContact O-N 2.87Å; H849-R852 VanDerWaalsContact O-N 3.12Å; H849-I853 VanDerWaalsContact CD2-CD1 3.48Å; H849-I853 WeakPolarHBondContact CD2-CD1 3.42Å; H849-I853 WeakPolarHBondContact O-CG1 3.37Å; H849-I853 PolarHBondContact O-N 3.08Å
850	D	65.4	Low	65.1	Low	86 Å²	86	95 Å²	95	46%	0.46	48%	0.479	S	S	.	.	H	α-helix	trans	-66.2	-42.8	177.6	-89.6	-36.2	0	0	0	112.1	S846 E847 R852 I853 Q854	S846-D850 PolarHBondContact O-N 3.45Å; E847-D850 PolarHBondContact O-N 2.92Å; D850-R852 VanDerWaalsContact C-N 3.28Å; D850-R852 PolarHBondContact O-N 2.97Å; D850-I853 CarbonylContact O-C 3.57Å; D850-I853 WeakPolarHBondContact O-CA 3.25Å; D850-I853 WeakPolarHBondContact O-CB 3.49Å; D850-I853 PolarHBondContact O-N 2.99Å; D850-Q854 WeakPolarHBondContact O-CG 3.38Å; D850-Q854 PolarHBondContact O-N 3.33Å
851	H	67.6	Low	66.2	Low	107 Å²	107	99.8 Å²	99.8	50%	0.495	49%	0.488	S	S	.	.	H	α-helix	trans	-58.8	-37.8	169.4	-76	-57.6	0	0	0	112.2	E847 I853 Q854 L855	E847-H851 PolarHBondContact O-CD2 3.31Å; E847-H851 PolarHBondContact O-N 2.95Å; H851-I853 VanDerWaalsContact C-N 3.33Å; H851-I853 PolarHBondContact O-N 3.33Å; H851-Q854 PolarHBondContact O-N 2.88Å; H851-L855 VanDerWaalsContact O-CB 3.26Å; H851-L855 WeakPolarHBondContact O-CB 3.49Å; H851-L855 PolarHBondContact O-N 3.35Å
852	R	70.4	Confident	66.9	Low	114 Å²	114	99.4 Å²	99.4	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-70	-24.3	173.9	-170.3	173.1	-179.5	133.4	-5.5	113.1	L848 H849 D850 R856	L848-R852 VanDerWaalsContact O-CB 3.28Å; L848-R852 WeakPolarHBondContact O-CB 3.38Å; L848-R852 PolarHBondContact O-N 3.38Å; H849-R852 CarbonylContact O-C 3.47Å; H849-R852 WeakPolarHBondContact O-CA 3.31Å; H849-R852 WeakPolarHBondContact O-CB 3.46Å; H849-R852 PolarHBondContact O-N 2.87Å; H849-R852 VanDerWaalsContact O-N 3.12Å; D850-R852 VanDerWaalsContact C-N 3.28Å; D850-R852 PolarHBondContact O-N 2.97Å; R852-R856 WeakPolarHBondContact O-CG 3.38Å; R852-R856 PolarHBondContact O-N 2.84Å; R852-R856 PolarHBondContact O-NE 3.04Å; R852-R856 VanDerWaalsContact O-NE 3.09Å
853	I	69.3	Low	68.1	Low	46 Å²	46	96.9 Å²	96.9	24%	0.236	47%	0.471	C	S	.	.	H	α-helix	trans	-75.7	-48.4	168.9	-72.2	176.1	0	0	0	110.4	H849 D850 H851 L855 R856 K857	H849-I853 VanDerWaalsContact CD2-CD1 3.48Å; H849-I853 WeakPolarHBondContact CD2-CD1 3.42Å; H849-I853 WeakPolarHBondContact O-CG1 3.37Å; H849-I853 PolarHBondContact O-N 3.08Å; D850-I853 CarbonylContact O-C 3.57Å; D850-I853 WeakPolarHBondContact O-CA 3.25Å; D850-I853 WeakPolarHBondContact O-CB 3.49Å; D850-I853 PolarHBondContact O-N 2.99Å; H851-I853 VanDerWaalsContact C-N 3.33Å; H851-I853 PolarHBondContact O-N 3.33Å; I853-L855 PolarHBondContact O-N 3.23Å; I853-R856 PolarHBondContact O-N 3.05Å; I853-K857 HydrophobicContact CG2-CD 4.01Å; I853-K857 VanDerWaalsContact CG2-CE 3.45Å; I853-K857 WeakPolarHBondContact O-CG 3.26Å; I853-K857 PolarHBondContact O-N 3.39Å
854	Q	72.2	Confident	69.3	Low	118 Å²	118	97.8 Å²	97.8	55%	0.551	47%	0.468	S	S	*	.	H	α-helix	trans	-60.3	-44.1	178.6	-68.4	-172.2	22.9	0	0	111.6	D850 H851 R856 K857 F858	D850-Q854 WeakPolarHBondContact O-CG 3.38Å; D850-Q854 PolarHBondContact O-N 3.33Å; H851-Q854 PolarHBondContact O-N 2.88Å; Q854-R856 VanDerWaalsContact C-N 3.35Å; Q854-R856 PolarHBondContact O-N 3.43Å; Q854-K857 WeakPolarHBondContact O-CB 3.43Å; Q854-K857 PolarHBondContact O-N 3.07Å; Q854-K857 VanDerWaalsContact O-N 3.16Å; Q854-F858 PolarHBondContact O-N 2.81Å
855	L	70.8	Confident	70.4	Confident	62 Å²	62	98.3 Å²	98.3	33%	0.325	47%	0.47	S	S	.	.	H	α-helix	trans	-62	-40	176.4	-171.5	67	0	0	0	111.9	I801 H851 I853 F858 Q859	I801-L855 HydrophobicContact CG2-CD2 4.29Å; H851-L855 VanDerWaalsContact O-CB 3.26Å; H851-L855 WeakPolarHBondContact O-CB 3.49Å; H851-L855 PolarHBondContact O-N 3.35Å; I853-L855 PolarHBondContact O-N 3.23Å; L855-F858 PolarHBondContact O-N 3.29Å; L855-Q859 WeakPolarHBondContact O-CB 3.36Å; L855-Q859 VanDerWaalsContact O-CG 3.29Å; L855-Q859 WeakPolarHBondContact O-CG 3.49Å; L855-Q859 PolarHBondContact O-N 3.39Å
856	R	71.2	Confident	71.5	Confident	132 Å²	132	100.9 Å²	100.9	50%	0.498	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-40.3	173.1	-78.7	-175.2	-72.9	171.8	-2.1	112.3	R852 I853 Q854 F858 S860	R852-R856 WeakPolarHBondContact O-CG 3.38Å; R852-R856 PolarHBondContact O-N 2.84Å; R852-R856 PolarHBondContact O-NE 3.04Å; R852-R856 VanDerWaalsContact O-NE 3.09Å; I853-R856 PolarHBondContact O-N 3.05Å; Q854-R856 VanDerWaalsContact C-N 3.35Å; Q854-R856 PolarHBondContact O-N 3.43Å; R856-F858 VanDerWaalsContact C-N 3.35Å; R856-S860 WeakPolarHBondContact O-CB 3.45Å; R856-S860 PolarHBondContact O-N 3.45Å
857	K	74.3	Confident	72.6	Confident	128 Å²	128	104 Å²	104	56%	0.557	48%	0.48	S	S	*	.	H	α-helix	trans	-60.6	-43	172.6	-70.4	167.6	178.7	168.6	0	110.9	I853 Q854 S860 R861	I853-K857 HydrophobicContact CG2-CD 4.01Å; I853-K857 VanDerWaalsContact CG2-CE 3.45Å; I853-K857 WeakPolarHBondContact O-CG 3.26Å; I853-K857 PolarHBondContact O-N 3.39Å; Q854-K857 WeakPolarHBondContact O-CB 3.43Å; Q854-K857 PolarHBondContact O-N 3.07Å; Q854-K857 VanDerWaalsContact O-N 3.16Å; K857-S860 PolarHBondContact O-N 3.29Å; K857-R861 WeakPolarHBondContact O-CG 3.48Å; K857-R861 PolarHBondContact O-N 3.27Å; K857-R861 VanDerWaalsContact O-N 3.08Å
858	F	76.3	Confident	73.6	Confident	126 Å²	126	106 Å²	106	55%	0.553	48%	0.483	S	S	*	.	H	α-helix	trans	-66.2	-48.3	177.2	-173.9	-94.2	0	0	0	112.6	Q854 L855 R856 S860 R861 N862	Q854-F858 PolarHBondContact O-N 2.81Å; L855-F858 PolarHBondContact O-N 3.29Å; R856-F858 VanDerWaalsContact C-N 3.35Å; F858-S860 PolarHBondContact O-N 3.19Å; F858-R861 WeakPolarHBondContact O-CB 3.38Å; F858-R861 PolarHBondContact O-N 2.84Å; F858-R861 VanDerWaalsContact O-N 3.12Å; F858-N862 PolarHBondContact O-N 2.83Å
859	Q	75.5	Confident	74.5	Confident	65 Å²	65	105.9 Å²	105.9	30%	0.304	48%	0.483	S	S	.	.	H	α-helix	trans	-62.3	-25.8	175.9	-72.3	174.8	0.9	0	0	113.5	L855 R863	L855-Q859 WeakPolarHBondContact O-CB 3.36Å; L855-Q859 VanDerWaalsContact O-CG 3.29Å; L855-Q859 WeakPolarHBondContact O-CG 3.49Å; L855-Q859 PolarHBondContact O-N 3.39Å; Q859-R863 WeakPolarHBondContact O-CG 3.46Å; Q859-R863 PolarHBondContact O-N 3.05Å; Q859-R863 PolarHBondContact O-NE 3.25Å
860	S	73.9	Confident	75.3	Confident	73 Å²	73	105.1 Å²	105.1	51%	0.51	49%	0.485	S	S	.	.	H	α-helix	trans	-73.4	-47.4	171.2	-173.1	0	0	0	0	111.3	R856 K857 F858 N862 R863 N864	R856-S860 WeakPolarHBondContact O-CB 3.45Å; R856-S860 PolarHBondContact O-N 3.45Å; K857-S860 PolarHBondContact O-N 3.29Å; F858-S860 PolarHBondContact O-N 3.19Å; S860-N862 PolarHBondContact O-N 3.45Å; S860-R863 PolarHBondContact O-N 3.32Å; S860-N864 PolarHBondContact O-N 3.26Å
861	R	74	Confident	76.1	Confident	183 Å²	183	104 Å²	104	69%	0.691	49%	0.488	S	S	*	.	H	α-helix	trans	-58.1	-44.5	174.1	-71.4	175.5	179.7	174.5	0.2	112.1	K857 F858 N864 L865	K857-R861 WeakPolarHBondContact O-CG 3.48Å; K857-R861 PolarHBondContact O-N 3.27Å; K857-R861 VanDerWaalsContact O-N 3.08Å; F858-R861 WeakPolarHBondContact O-CB 3.38Å; F858-R861 PolarHBondContact O-N 2.84Å; F858-R861 VanDerWaalsContact O-N 3.12Å; R861-N864 PolarHBondContact O-N 3.05Å; R861-L865 WeakPolarHBondContact O-CG 3.38Å; R861-L865 PolarHBondContact O-N 2.9Å
862	N	75.1	Confident	76.9	Confident	64 Å²	64	105.8 Å²	105.8	34%	0.342	50%	0.497	S	S	.	.	H	α-helix	trans	-63.8	-45.5	-179.5	-162.1	75.5	0	0	0	111.8	F858 S860 N864 L865 E866	F858-N862 PolarHBondContact O-N 2.83Å; S860-N862 PolarHBondContact O-N 3.45Å; N862-N864 VanDerWaalsContact C-N 3.29Å; N862-N864 PolarHBondContact O-N 3.14Å; N862-L865 PolarHBondContact O-N 3.32Å; N862-L865 VanDerWaalsContact O-N 3.08Å; N862-E866 PolarHBondContact ND2-OE1 3.14Å; N862-E866 WeakPolarHBondContact O-CG 3.41Å; N862-E866 PolarHBondContact O-N 3.37Å
863	R	77.7	Confident	77.5	Confident	145 Å²	145	105.2 Å²	105.2	55%	0.547	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-35.5	174	-80.3	-178.3	-76.8	177.8	-8.4	113.2	Q859 S860 E866 Q867	Q859-R863 WeakPolarHBondContact O-CG 3.46Å; Q859-R863 PolarHBondContact O-N 3.05Å; Q859-R863 PolarHBondContact O-NE 3.25Å; S860-R863 PolarHBondContact O-N 3.32Å; R863-E866 WeakPolarHBondContact CA-OE2 3.46Å; R863-Q867 WeakPolarHBondContact O-CB 3.24Å; R863-Q867 VanDerWaalsContact O-CG 3.26Å; R863-Q867 WeakPolarHBondContact O-CG 3.42Å; R863-Q867 PolarHBondContact O-N 3.15Å
864	N	79.4	Confident	78.3	Confident	78 Å²	78	105.8 Å²	105.8	42%	0.417	51%	0.511	S	S	.	.	H	α-helix	trans	-69.1	-35.7	174	-173.4	-105.9	0	0	0	112.7	S860 R861 N862 R868	S860-N864 PolarHBondContact O-N 3.26Å; R861-N864 PolarHBondContact O-N 3.05Å; N862-N864 VanDerWaalsContact C-N 3.29Å; N862-N864 PolarHBondContact O-N 3.14Å; N864-R868 WeakPolarHBondContact O-CB 3.26Å; N864-R868 VanDerWaalsContact O-CG 3.24Å; N864-R868 WeakPolarHBondContact O-CG 3.43Å; N864-R868 PolarHBondContact O-N 2.76Å
865	L	79.4	Confident	78.8	Confident	100 Å²	100	102.9 Å²	102.9	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-68.9	-41.7	174.2	-69.3	172	0	0	0	111.8	R861 N862 R868 L869	R861-L865 WeakPolarHBondContact O-CG 3.38Å; R861-L865 PolarHBondContact O-N 2.9Å; N862-L865 PolarHBondContact O-N 3.32Å; N862-L865 VanDerWaalsContact O-N 3.08Å; L865-R868 PolarHBondContact O-N 3.05Å; L865-L869 PolarHBondContact O-N 3.04Å
866	E	78.9	Confident	79.3	Confident	103 Å²	103	102.2 Å²	102.2	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-59	-50.1	173.7	-71.3	165.1	162.6	0	0	111.1	N862 R863 R868 L869 T870	N862-E866 PolarHBondContact ND2-OE1 3.14Å; N862-E866 WeakPolarHBondContact O-CG 3.41Å; N862-E866 PolarHBondContact O-N 3.37Å; R863-E866 WeakPolarHBondContact CA-OE2 3.46Å; E866-R868 VanDerWaalsContact C-N 3.3Å; E866-R868 PolarHBondContact O-N 2.98Å; E866-L869 PolarHBondContact O-N 3.33Å; E866-L869 VanDerWaalsContact O-N 3.14Å; E866-T870 PolarHBondContact O-N 3.02Å; E866-T870 PolarHBondContact O-OG1 3Å
867	Q	81	Confident	80	Confident	135 Å²	135	101.1 Å²	101.1	63%	0.631	51%	0.514	S	S	*	.	H	α-helix	trans	-57.7	-39.8	175.1	-75.8	173.6	-20.5	0	0	112.9	R863 A871	R863-Q867 WeakPolarHBondContact O-CB 3.24Å; R863-Q867 VanDerWaalsContact O-CG 3.26Å; R863-Q867 WeakPolarHBondContact O-CG 3.42Å; R863-Q867 PolarHBondContact O-N 3.15Å; Q867-A871 WeakPolarHBondContact O-CB 3.44Å; Q867-A871 PolarHBondContact O-N 2.85Å
868	R	80.3	Confident	80.7	Confident	158 Å²	158	99.3 Å²	99.3	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-69.8	-34.7	177.2	-76.7	176.2	62	-167.2	-4.6	112.8	N864 L865 E866 Q872	N864-R868 WeakPolarHBondContact O-CB 3.26Å; N864-R868 VanDerWaalsContact O-CG 3.24Å; N864-R868 WeakPolarHBondContact O-CG 3.43Å; N864-R868 PolarHBondContact O-N 2.76Å; L865-R868 PolarHBondContact O-N 3.05Å; E866-R868 VanDerWaalsContact C-N 3.3Å; E866-R868 PolarHBondContact O-N 2.98Å; R868-Q872 WeakPolarHBondContact O-CB 3.49Å; R868-Q872 PolarHBondContact O-N 3.12Å
869	L	83.6	Confident	81.1	Confident	97 Å²	97	96 Å²	96	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-65.8	-51.1	175.4	-175	64.3	0	0	0	110.2	L865 E866 A871 Q872 E873	L865-L869 PolarHBondContact O-N 3.04Å; E866-L869 PolarHBondContact O-N 3.33Å; E866-L869 VanDerWaalsContact O-N 3.14Å; L869-A871 VanDerWaalsContact C-N 3.31Å; L869-A871 PolarHBondContact O-N 2.99Å; L869-Q872 CarbonylContact O-C 3.57Å; L869-Q872 WeakPolarHBondContact O-CA 3.39Å; L869-Q872 WeakPolarHBondContact O-CB 3.36Å; L869-Q872 PolarHBondContact O-N 3.19Å; L869-E873 WeakPolarHBondContact O-CG 3.46Å; L869-E873 PolarHBondContact O-N 3.17Å
870	T	84.5	Confident	81.8	Confident	87 Å²	87	97.5 Å²	97.5	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-61.4	-36.8	178	-55.2	0	0	0	0	112.7	E866 Q872 E873 A874	E866-T870 PolarHBondContact O-N 3.02Å; E866-T870 PolarHBondContact O-OG1 3Å; T870-Q872 VanDerWaalsContact C-N 3.33Å; T870-E873 WeakPolarHBondContact CA-OE2 3.36Å; T870-E873 PolarHBondContact O-N 2.92Å; T870-A874 WeakPolarHBondContact O-CB 3.46Å; T870-A874 PolarHBondContact O-N 3.45Å
871	A	83.6	Confident	82.6	Confident	63 Å²	63	100 Å²	100	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-33.8	173	0	0	0	0	0	112.9	Q867 L869 A875	Q867-A871 WeakPolarHBondContact O-CB 3.44Å; Q867-A871 PolarHBondContact O-N 2.85Å; L869-A871 VanDerWaalsContact C-N 3.31Å; L869-A871 PolarHBondContact O-N 2.99Å; A871-A875 WeakPolarHBondContact O-CB 3.4Å; A871-A875 PolarHBondContact O-N 3.22Å; A871-A875 VanDerWaalsContact O-N 3.12Å
872	Q	82.7	Confident	83.3	Confident	144 Å²	144	98.2 Å²	98.2	67%	0.673	51%	0.509	S	S	*	.	H	α-helix	trans	-75.8	-34.2	176.3	-174.3	172.3	-9.4	0	0	112.3	R868 L869 T870 A876	R868-Q872 WeakPolarHBondContact O-CB 3.49Å; R868-Q872 PolarHBondContact O-N 3.12Å; L869-Q872 CarbonylContact O-C 3.57Å; L869-Q872 WeakPolarHBondContact O-CA 3.39Å; L869-Q872 WeakPolarHBondContact O-CB 3.36Å; L869-Q872 PolarHBondContact O-N 3.19Å; T870-Q872 VanDerWaalsContact C-N 3.33Å; Q872-A876 WeakPolarHBondContact O-CB 3.49Å; Q872-A876 PolarHBondContact O-N 2.67Å
873	E	83.4	Confident	83.9	Confident	103 Å²	103	100.4 Å²	100.4	48%	0.481	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-51.3	171.7	-70.4	168.6	152.3	0	0	110.4	L869 T870 A875 A876 D877	L869-E873 WeakPolarHBondContact O-CG 3.46Å; L869-E873 PolarHBondContact O-N 3.17Å; T870-E873 WeakPolarHBondContact CA-OE2 3.36Å; T870-E873 PolarHBondContact O-N 2.92Å; E873-A875 VanDerWaalsContact C-N 3.31Å; E873-A875 PolarHBondContact O-N 3.21Å; E873-A876 WeakPolarHBondContact O-CA 3.49Å; E873-A876 WeakPolarHBondContact O-CB 3.43Å; E873-A876 PolarHBondContact O-N 3.2Å; E873-D877 PolarHBondContact O-N 3.39Å
874	A	86.6	Confident	84.5	Confident	58 Å²	58	97.2 Å²	97.2	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-59.7	-38.1	176.7	0	0	0	0	0	113.3	T870 A876 D877 E878	T870-A874 WeakPolarHBondContact O-CB 3.46Å; T870-A874 PolarHBondContact O-N 3.45Å; A874-A876 VanDerWaalsContact C-N 3.32Å; A874-D877 PolarHBondContact O-N 3.05Å; A874-E878 PolarHBondContact O-N 2.99Å
875	A	83.4	Confident	85.1	Confident	57 Å²	57	98.2 Å²	98.2	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-69.2	-28.6	174.9	0	0	0	0	0	113.1	A871 E873 A879	A871-A875 WeakPolarHBondContact O-CB 3.4Å; A871-A875 PolarHBondContact O-N 3.22Å; A871-A875 VanDerWaalsContact O-N 3.12Å; E873-A875 VanDerWaalsContact C-N 3.31Å; E873-A875 PolarHBondContact O-N 3.21Å; A875-A879 WeakPolarHBondContact O-CB 3.3Å; A875-A879 PolarHBondContact O-N 3.31Å
876	A	79.6	Confident	85.5	Confident	47 Å²	47	102.1 Å²	102.1	39%	0.388	53%	0.532	S	S	.	.	H	α-helix	trans	-72.5	-42.5	173.3	0	0	0	0	0	111.4	Q872 E873 A874 A879 I880	Q872-A876 WeakPolarHBondContact O-CB 3.49Å; Q872-A876 PolarHBondContact O-N 2.67Å; E873-A876 WeakPolarHBondContact O-CA 3.49Å; E873-A876 WeakPolarHBondContact O-CB 3.43Å; E873-A876 PolarHBondContact O-N 3.2Å; A874-A876 VanDerWaalsContact C-N 3.32Å; A876-A879 WeakPolarHBondContact O-CB 3.4Å; A876-A879 PolarHBondContact O-N 2.91Å; A876-I880 VanDerWaalsContact O-CG1 3.3Å; A876-I880 WeakPolarHBondContact O-CG1 3.46Å; A876-I880 PolarHBondContact O-N 2.88Å
877	D	86.7	Confident	86	Confident	109 Å²	109	100.3 Å²	100.3	58%	0.583	53%	0.53	S	S	*	.	H	α-helix	trans	-62.4	-43.2	175.9	-73.1	-25.5	0	0	0	111.8	E873 A874 A879 I880 E881	E873-D877 PolarHBondContact O-N 3.39Å; A874-D877 PolarHBondContact O-N 3.05Å; D877-A879 VanDerWaalsContact C-N 3.31Å; D877-A879 PolarHBondContact O-N 2.92Å; D877-I880 PolarHBondContact O-N 3.15Å; D877-E881 PolarHBondContact O-N 3.35Å
878	E	88.2	Confident	86.4	Confident	90 Å²	90	102.2 Å²	102.2	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-62.1	-38.2	174.6	-162.4	-160.2	-159.7	0	0	112	A874 E881 R882	A874-E878 PolarHBondContact O-N 2.99Å; E878-E881 PolarHBondContact O-N 3.45Å; E878-R882 WeakPolarHBondContact O-CB 3.45Å; E878-R882 WeakPolarHBondContact O-CG 3.34Å; E878-R882 PolarHBondContact O-N 3.22Å; E878-R882 IonicContact OE1-CZ 3.85Å; E878-R882 IonicContact OE1-NE 3.42Å; E878-R882 IonicContact OE1-NH1 2.83Å; E878-R882 IonicContact OE1-NH2 3.15Å; E878-R882 PolarHBondContact OE1-NH2 3.04Å; E878-R882 IonicContact OE2-CZ 2.63Å; E878-R882 IonicContact OE2-NH1 3.91Å; E878-R882 PolarHBondContact OE2-NH1 3.44Å; E878-R882 IonicContact OE2-NH2 3.77Å; E878-R882 PolarHBondContact OE2-NH2 3.01Å
879	A	85.8	Confident	86.9	Confident	56 Å²	56	99.9 Å²	99.9	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-66.8	-36.7	175.4	0	0	0	0	0	112.3	A875 A876 D877 L883	A875-A879 WeakPolarHBondContact O-CB 3.3Å; A875-A879 PolarHBondContact O-N 3.31Å; A876-A879 WeakPolarHBondContact O-CB 3.4Å; A876-A879 PolarHBondContact O-N 2.91Å; D877-A879 VanDerWaalsContact C-N 3.31Å; D877-A879 PolarHBondContact O-N 2.92Å; A879-L883 WeakPolarHBondContact O-CB 3.49Å; A879-L883 PolarHBondContact O-N 2.63Å
880	I	89.9	Confident	87.1	Confident	97 Å²	97	99.8 Å²	99.8	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-66.7	-44.5	174.3	-69.9	163.6	0	0	0	110.6	A876 D877 L883 C884	A876-I880 VanDerWaalsContact O-CG1 3.3Å; A876-I880 WeakPolarHBondContact O-CG1 3.46Å; A876-I880 PolarHBondContact O-N 2.88Å; D877-I880 PolarHBondContact O-N 3.15Å; I880-L883 PolarHBondContact O-N 3.37Å; I880-C884 PolarHBondContact O-N 2.89Å; I880-C884 PolarHBondContact O-SG 2.94Å; I880-C884 VanDerWaalsContact O-SG 3.37Å
881	E	89.9	Confident	87.4	Confident	126 Å²	126	100.4 Å²	100.4	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-62.3	-46.5	177	-173.8	174.3	-163.8	0	0	111.6	D877 E878 L883 C884 L885	D877-E881 PolarHBondContact O-N 3.35Å; E878-E881 PolarHBondContact O-N 3.45Å; E881-L883 VanDerWaalsContact C-N 3.28Å; E881-L883 PolarHBondContact O-N 3.17Å; E881-C884 WeakPolarHBondContact O-CB 3.49Å; E881-C884 PolarHBondContact O-N 3.4Å; E881-L885 HydrophobicContact CG-CD1 4.23Å; E881-L885 HydrophobicContact CG-CG 4.49Å; E881-L885 WeakPolarHBondContact O-CG 3.45Å; E881-L885 PolarHBondContact O-N 3.33Å
882	R	88.8	Confident	87.6	Confident	146 Å²	146	102 Å²	102	55%	0.551	52%	0.522	S	S	*	.	H	α-helix	trans	-58.5	-38.2	174.6	-74.8	175.1	175.9	148.2	-0.6	112.5	E878 R886	E878-R882 WeakPolarHBondContact O-CB 3.45Å; E878-R882 WeakPolarHBondContact O-CG 3.34Å; E878-R882 PolarHBondContact O-N 3.22Å; E878-R882 IonicContact OE1-CZ 3.85Å; E878-R882 IonicContact OE1-NE 3.42Å; E878-R882 IonicContact OE1-NH1 2.83Å; E878-R882 IonicContact OE1-NH2 3.15Å; E878-R882 PolarHBondContact OE1-NH2 3.04Å; E878-R882 IonicContact OE2-CZ 2.63Å; E878-R882 IonicContact OE2-NH1 3.91Å; E878-R882 PolarHBondContact OE2-NH1 3.44Å; E878-R882 IonicContact OE2-NH2 3.77Å; E878-R882 PolarHBondContact OE2-NH2 3.01Å; R882-R886 WeakPolarHBondContact O-CB 3.42Å; R882-R886 PolarHBondContact O-N 3.01Å
883	L	88.9	Confident	87.9	Confident	109 Å²	109	99.6 Å²	99.6	57%	0.571	51%	0.511	S	S	*	.	H	α-helix	trans	-66.1	-46.3	175	-178.2	60.7	0	0	0	111.4	A879 I880 E881 L885 R886 C887	A879-L883 WeakPolarHBondContact O-CB 3.49Å; A879-L883 PolarHBondContact O-N 2.63Å; I880-L883 PolarHBondContact O-N 3.37Å; E881-L883 VanDerWaalsContact C-N 3.28Å; E881-L883 PolarHBondContact O-N 3.17Å; L883-L885 PolarHBondContact O-N 2.91Å; L883-R886 PolarHBondContact O-N 2.99Å; L883-R886 VanDerWaalsContact O-N 3.15Å; L883-C887 PolarHBondContact O-N 2.89Å; L883-C887 PolarHBondContact O-SG 3.45Å; L883-C887 VanDerWaalsContact O-SG 3.35Å
884	C	90.6	Very high	88.1	Confident	79 Å²	79	99.5 Å²	99.5	53%	0.534	51%	0.514	S	S	.	.	H	α-helix	trans	-59.2	-43.2	176.1	-74	0	0	0	0	112.5	I880 E881 R886 C887 R888	I880-C884 PolarHBondContact O-N 2.89Å; I880-C884 PolarHBondContact O-SG 2.94Å; I880-C884 VanDerWaalsContact O-SG 3.37Å; E881-C884 WeakPolarHBondContact O-CB 3.49Å; E881-C884 PolarHBondContact O-N 3.4Å; C884-R886 PolarHBondContact O-N 3.24Å; C884-C887 PolarHBondContact O-N 3.01Å; C884-R888 WeakPolarHBondContact O-CB 3.4Å; C884-R888 PolarHBondContact O-N 3.25Å
885	L	91	Very high	88.2	Confident	99 Å²	99	101.5 Å²	101.5	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-61.6	-41.4	173.9	-71.3	171.6	0	0	0	111.8	E881 L883 R888 H889	E881-L885 HydrophobicContact CG-CD1 4.23Å; E881-L885 HydrophobicContact CG-CG 4.49Å; E881-L885 WeakPolarHBondContact O-CG 3.45Å; E881-L885 PolarHBondContact O-N 3.33Å; L883-L885 PolarHBondContact O-N 2.91Å; L885-R888 PolarHBondContact O-N 3.33Å; L885-H889 PolarHBondContact O-N 2.97Å
886	R	88.6	Confident	88.4	Confident	182 Å²	182	104.1 Å²	104.1	69%	0.687	51%	0.514	S	S	*	.	H	α-helix	trans	-67.8	-40.5	177.5	-166.7	175.2	-175.2	-169.8	0.6	112.6	R882 L883 C884 R888 H889 L890	R882-R886 WeakPolarHBondContact O-CB 3.42Å; R882-R886 PolarHBondContact O-N 3.01Å; L883-R886 PolarHBondContact O-N 2.99Å; L883-R886 VanDerWaalsContact O-N 3.15Å; C884-R886 PolarHBondContact O-N 3.24Å; R886-R888 VanDerWaalsContact C-N 3.35Å; R886-H889 WeakPolarHBondContact O-CB 3.48Å; R886-H889 PolarHBondContact O-N 3.42Å; R886-L890 WeakPolarHBondContact O-CG 3.45Å; R886-L890 PolarHBondContact O-N 3.5Å
887	C	88.2	Confident	88.6	Confident	64 Å²	64	104.6 Å²	104.6	43%	0.432	51%	0.514	S	S	.	.	H	α-helix	trans	-60	-44.6	172.3	-69.7	0	0	0	0	111.3	L883 C884 H889 L890 E891	L883-C887 PolarHBondContact O-N 2.89Å; L883-C887 PolarHBondContact O-SG 3.45Å; L883-C887 VanDerWaalsContact O-SG 3.35Å; C884-C887 PolarHBondContact O-N 3.01Å; C887-H889 VanDerWaalsContact C-N 3.3Å; C887-H889 PolarHBondContact O-N 3.38Å; C887-L890 PolarHBondContact O-N 3.36Å; C887-E891 PolarHBondContact O-N 2.98Å
888	R	90	Very high	88.5	Confident	175 Å²	175	104.5 Å²	104.5	66%	0.66	51%	0.511	S	S	*	.	H	α-helix	trans	-63.7	-32.7	176.3	-168.7	175.9	-176.2	176.1	1.8	112.9	C884 L885 R886 L892	C884-R888 WeakPolarHBondContact O-CB 3.4Å; C884-R888 PolarHBondContact O-N 3.25Å; L885-R888 PolarHBondContact O-N 3.33Å; R886-R888 VanDerWaalsContact C-N 3.35Å; R888-L892 WeakPolarHBondContact O-CG 3.48Å; R888-L892 PolarHBondContact O-N 2.74Å
889	H	91.1	Very high	88.1	Confident	110 Å²	110	106.3 Å²	106.3	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-48.8	172.3	-170.8	82.8	0	0	0	111.7	L885 R886 C887 E891 L892 E893	L885-H889 PolarHBondContact O-N 2.97Å; R886-H889 WeakPolarHBondContact O-CB 3.48Å; R886-H889 PolarHBondContact O-N 3.42Å; C887-H889 VanDerWaalsContact C-N 3.3Å; C887-H889 PolarHBondContact O-N 3.38Å; H889-E891 VanDerWaalsContact C-N 3.29Å; H889-E891 PolarHBondContact O-N 3.21Å; H889-L892 WeakPolarHBondContact O-CA 3.28Å; H889-L892 WeakPolarHBondContact O-CB 3.43Å; H889-L892 PolarHBondContact O-N 2.85Å; H889-E893 IonicContact CD2-OE2 2.67Å; H889-E893 IonicContact NE2-OE2 3.68Å; H889-E893 PolarHBondContact O-N 3.34Å
890	L	88.5	Confident	87.9	Confident	94 Å²	94	109.3 Å²	109.3	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-60.8	-35.8	177.9	-69.9	168.2	0	0	0	112.4	R886 C887 L892 E893 L894	R886-L890 WeakPolarHBondContact O-CG 3.45Å; R886-L890 PolarHBondContact O-N 3.5Å; C887-L890 PolarHBondContact O-N 3.36Å; L890-L892 VanDerWaalsContact C-N 3.32Å; L890-L892 PolarHBondContact O-N 3.42Å; L890-E893 PolarHBondContact O-N 2.96Å; L890-L894 VanDerWaalsContact O-CB 3.28Å; L890-L894 WeakPolarHBondContact O-CB 3.29Å; L890-L894 PolarHBondContact O-N 3.45Å
891	E	89.3	Confident	87	Confident	100 Å²	100	108.2 Å²	108.2	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-39.9	170.3	-85.4	-166	-144.7	0	0	113.2	C887 H889 K895	C887-E891 PolarHBondContact O-N 2.98Å; H889-E891 VanDerWaalsContact C-N 3.29Å; H889-E891 PolarHBondContact O-N 3.21Å; E891-K895 WeakPolarHBondContact O-CB 3.28Å; E891-K895 VanDerWaalsContact O-CD 3.29Å; E891-K895 WeakPolarHBondContact O-CD 3.42Å; E891-K895 WeakPolarHBondContact O-CG 3.29Å; E891-K895 PolarHBondContact O-N 3.45Å; E891-K895 IonicContact OE2-NZ 2.76Å; E891-K895 PolarHBondContact OE2-NZ 3.36Å
892	L	89.5	Confident	86.2	Confident	96 Å²	96	106.4 Å²	106.4	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-72.4	-40.4	179.5	-69.3	169.4	0	0	0	111.1	R888 H889 L890 L894 K895 Q896	R888-L892 WeakPolarHBondContact O-CG 3.48Å; R888-L892 PolarHBondContact O-N 2.74Å; H889-L892 WeakPolarHBondContact O-CA 3.28Å; H889-L892 WeakPolarHBondContact O-CB 3.43Å; H889-L892 PolarHBondContact O-N 2.85Å; L890-L892 VanDerWaalsContact C-N 3.32Å; L890-L892 PolarHBondContact O-N 3.42Å; L892-L894 VanDerWaalsContact C-N 3.35Å; L892-K895 PolarHBondContact O-N 2.96Å; L892-Q896 WeakPolarHBondContact O-CG 3.39Å; L892-Q896 PolarHBondContact O-N 2.67Å
893	E	88.1	Confident	85.2	Confident	95 Å²	95	106.1 Å²	106.1	44%	0.444	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-40.3	172.4	-67.4	-164.4	111.1	0	0	112	H889 L890 Q896 S897	H889-E893 IonicContact CD2-OE2 2.67Å; H889-E893 IonicContact NE2-OE2 3.68Å; H889-E893 PolarHBondContact O-N 3.34Å; L890-E893 PolarHBondContact O-N 2.96Å; E893-Q896 PolarHBondContact O-N 3.49Å; E893-S897 VanDerWaalsContact O-CB 3.28Å; E893-S897 WeakPolarHBondContact O-CB 3.43Å; E893-S897 PolarHBondContact O-N 2.88Å; E893-S897 PolarHBondContact O-OG 3.19Å
894	L	86.7	Confident	83.9	Confident	101 Å²	101	108 Å²	108	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-62.8	-46.1	174.2	-177.2	63.8	0	0	0	111.1	L890 L892 Q896 S897 Q898	L890-L894 VanDerWaalsContact O-CB 3.28Å; L890-L894 WeakPolarHBondContact O-CB 3.29Å; L890-L894 PolarHBondContact O-N 3.45Å; L892-L894 VanDerWaalsContact C-N 3.35Å; L894-Q896 PolarHBondContact O-N 2.97Å; L894-S897 PolarHBondContact O-N 2.85Å; L894-Q898 WeakPolarHBondContact O-CB 3.2Å; L894-Q898 VanDerWaalsContact O-CG 3.29Å; L894-Q898 WeakPolarHBondContact O-CG 3.4Å; L894-Q898 PolarHBondContact O-N 3.37Å
895	K	89.6	Confident	82.1	Confident	100 Å²	100	111.9 Å²	111.9	44%	0.435	55%	0.55	S	S	.	.	H	α-helix	trans	-62.2	-41.3	176.7	-74.3	159.7	-175.3	159.5	0	111.9	E891 L892 Q899	E891-K895 WeakPolarHBondContact O-CB 3.28Å; E891-K895 VanDerWaalsContact O-CD 3.29Å; E891-K895 WeakPolarHBondContact O-CD 3.42Å; E891-K895 WeakPolarHBondContact O-CG 3.29Å; E891-K895 PolarHBondContact O-N 3.45Å; E891-K895 IonicContact OE2-NZ 2.76Å; E891-K895 PolarHBondContact OE2-NZ 3.36Å; L892-K895 PolarHBondContact O-N 2.96Å; K895-Q899 WeakPolarHBondContact O-CG 3.4Å; K895-Q899 PolarHBondContact O-N 3.32Å
896	Q	88.5	Confident	79.8	Confident	111 Å²	111	111.4 Å²	111.4	52%	0.519	56%	0.555	S	S	.	*	H	α-helix	trans	-65.5	-39.9	172.8	-73.9	-170.6	19.4	0	0	112.7	L892 E893 L894 Q899 K900	L892-Q896 WeakPolarHBondContact O-CG 3.39Å; L892-Q896 PolarHBondContact O-N 2.67Å; E893-Q896 PolarHBondContact O-N 3.49Å; L894-Q896 PolarHBondContact O-N 2.97Å; Q896-Q899 PolarHBondContact O-N 3.35Å; Q896-K900 WeakPolarHBondContact O-CG 3.31Å; Q896-K900 PolarHBondContact O-N 3.25Å
897	S	82.9	Confident	77.8	Confident	57 Å²	57	107.6 Å²	107.6	40%	0.399	55%	0.554	S	S	.	*	H	α-helix	trans	-69	-39	-179.9	-59.9	0	0	0	0	111.6	E893 L894 K900 C901	E893-S897 VanDerWaalsContact O-CB 3.28Å; E893-S897 WeakPolarHBondContact O-CB 3.43Å; E893-S897 PolarHBondContact O-N 2.88Å; E893-S897 PolarHBondContact O-OG 3.19Å; L894-S897 PolarHBondContact O-N 2.85Å; S897-K900 PolarHBondContact O-N 2.94Å; S897-C901 PolarHBondContact O-N 3.36Å; S897-C901 PolarHBondContact O-SG 3.3Å
898	Q	83.9	Confident	75.4	Confident	108 Å²	108	114.9 Å²	114.9	51%	0.505	58%	0.578	S	S	.	*	H	α-helix	trans	-60	-45.5	169.4	-74.2	172.4	-8.4	0	0	111.3	L894 K900 C901 S902	L894-Q898 WeakPolarHBondContact O-CB 3.2Å; L894-Q898 VanDerWaalsContact O-CG 3.29Å; L894-Q898 WeakPolarHBondContact O-CG 3.4Å; L894-Q898 PolarHBondContact O-N 3.37Å; Q898-K900 PolarHBondContact O-N 3.37Å; Q898-C901 PolarHBondContact O-N 2.95Å; Q898-S902 PolarHBondContact O-N 3.04Å; Q898-S902 PolarHBondContact O-OG 2.86Å
899	Q	81	Confident	72.8	Confident	128 Å²	128	114.7 Å²	114.7	60%	0.598	59%	0.585	S	S	*	*	H	α-helix	trans	-61.3	-42.3	175.5	-75.9	-179.9	-11.5	0	0	112.9	K895 Q896 S902 Q903	K895-Q899 WeakPolarHBondContact O-CG 3.4Å; K895-Q899 PolarHBondContact O-N 3.32Å; Q896-Q899 PolarHBondContact O-N 3.35Å; Q899-S902 PolarHBondContact O-N 2.9Å; Q899-Q903 WeakPolarHBondContact O-CG 3.36Å; Q899-Q903 PolarHBondContact O-N 3.45Å
900	K	80.5	Confident	70	Confident	118 Å²	118	118.5 Å²	118.5	51%	0.513	60%	0.603	S	S	.	*	H	α-helix	trans	-61.5	-42.7	174.3	-71.7	168.2	-176.6	168.5	0	111.7	Q896 S897 Q898 Q903 L904	Q896-K900 WeakPolarHBondContact O-CG 3.31Å; Q896-K900 PolarHBondContact O-N 3.25Å; S897-K900 PolarHBondContact O-N 2.94Å; Q898-K900 PolarHBondContact O-N 3.37Å; K900-Q903 PolarHBondContact O-N 3.09Å; K900-L904 WeakPolarHBondContact O-CG 3.44Å; K900-L904 PolarHBondContact O-N 3.47Å; K900-L904 VanDerWaalsContact O-N 3.09Å
901	C	70.9	Confident	67.3	Low	74 Å²	74	121.6 Å²	121.6	50%	0.5	62%	0.62	S	S	.	*	H	α-helix	trans	-63.9	-43.1	174.9	-66.8	0	0	0	0	112.1	S897 Q898 Q903 L904 M905	S897-C901 PolarHBondContact O-N 3.36Å; S897-C901 PolarHBondContact O-SG 3.3Å; Q898-C901 PolarHBondContact O-N 2.95Å; C901-Q903 VanDerWaalsContact C-N 3.29Å; C901-Q903 PolarHBondContact O-N 3.14Å; C901-L904 PolarHBondContact O-N 2.84Å; C901-M905 WeakPolarHBondContact O-CB 3.42Å; C901-M905 VanDerWaalsContact O-CG 3.31Å; C901-M905 WeakPolarHBondContact O-CG 3.29Å; C901-M905 PolarHBondContact O-N 3.21Å
902	S	73.8	Confident	64.9	Low	88 Å²	88	125.4 Å²	125.4	62%	0.615	64%	0.642	S	S	*	*	H	α-helix	trans	-63.9	-31.6	177	-64.4	0	0	0	0	113.3	Q898 Q899	Q898-S902 PolarHBondContact O-N 3.04Å; Q898-S902 PolarHBondContact O-OG 2.86Å; Q899-S902 PolarHBondContact O-N 2.9Å
903	Q	67.8	Low	62.2	Low	141 Å²	141	125.3 Å²	125.3	66%	0.659	65%	0.649	S	S	*	*	H	α-helix	trans	-69.2	-44.8	172	-71	171.1	8.6	0	0	111.4	Q899 K900 C901 M905 S906	Q899-Q903 WeakPolarHBondContact O-CG 3.36Å; Q899-Q903 PolarHBondContact O-N 3.45Å; K900-Q903 PolarHBondContact O-N 3.09Å; C901-Q903 VanDerWaalsContact C-N 3.29Å; C901-Q903 PolarHBondContact O-N 3.14Å; Q903-M905 VanDerWaalsContact C-N 3.31Å; Q903-M905 PolarHBondContact O-N 2.77Å; Q903-S906 PolarHBondContact O-N 3.02Å; Q903-S906 PolarHBondContact O-OG 3.36Å
904	L	62.6	Low	59.6	Low	149 Å²	149	127.9 Å²	127.9	78%	0.78	67%	0.666	S	S	*	*	H	α-helix	trans	-67.6	-27.1	176.9	-71	167.5	0	0	0	113.7	K900 C901 S906	K900-L904 WeakPolarHBondContact O-CG 3.44Å; K900-L904 PolarHBondContact O-N 3.47Å; K900-L904 VanDerWaalsContact O-N 3.09Å; C901-L904 PolarHBondContact O-N 2.84Å; L904-S906 VanDerWaalsContact C-N 3.29Å; L904-S906 PolarHBondContact O-N 3.44Å
905	M	52.7	Low	57.2	Low	159 Å²	159	127.9 Å²	127.9	78%	0.783	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	7.8	177.6	-74	-64.5	-168	0	0	114.1	C901 Q903 P907	C901-M905 WeakPolarHBondContact O-CB 3.42Å; C901-M905 VanDerWaalsContact O-CG 3.31Å; C901-M905 WeakPolarHBondContact O-CG 3.29Å; C901-M905 PolarHBondContact O-N 3.21Å; Q903-M905 VanDerWaalsContact C-N 3.31Å; Q903-M905 PolarHBondContact O-N 2.77Å; M905-P907 VanDerWaalsContact O-CD 3.29Å; M905-P907 WeakPolarHBondContact O-CD 3.38Å
906	S	42	Very low	54.6	Low	90 Å²	90	129.9 Å²	129.9	63%	0.629	69%	0.69	S	S	*	*			trans	-74.1	114.6	173.5	58.5	0	0	0	0	111.1	Q903 L904	Q903-S906 PolarHBondContact O-N 3.02Å; Q903-S906 PolarHBondContact O-OG 3.36Å; L904-S906 VanDerWaalsContact C-N 3.29Å; L904-S906 PolarHBondContact O-N 3.44Å
907	P	45.9	Very low	51.8	Low	101 Å²	101	130.9 Å²	130.9	66%	0.656	70%	0.699	S	S	*	*			trans	-83.4	157.5	-171.3	33.8	-35.4	0	0	0	112.8	M905 Q909	M905-P907 VanDerWaalsContact O-CD 3.29Å; M905-P907 WeakPolarHBondContact O-CD 3.38Å; P907-Q909 PolarHBondContact O-N 2.84Å
908	K	38.1	Very low	49.5	Very low	217 Å²	217	138.7 Å²	138.7	94%	0.943	72%	0.721	S	S	*	*			trans	-63.2	84.5	176	-62.9	171.1	-179.2	172.5	0	112.1
909	Q	34.9	Very low	47	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.804	73%	0.727	S	S	*	*			trans	-132.3	62.1	175.5	-72	-166.6	-20.6	0	0	113.1	P907	P907-Q909 PolarHBondContact O-N 2.84Å
910	Q	32.6	Very low	44.5	Very low	189 Å²	189	140 Å²	140	88%	0.883	74%	0.742	S	S	*	*			trans	-132	65	159.5	-75.8	-166.4	-11.4	0	0	110.6
911	N	31.5	Very low	42.2	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	76%	0.756	S	S	*	*			trans	-174.1	97.8	155.3	-102.2	-36.4	0	0	0	110.9
912	I	38.6	Very low	40.5	Very low	180 Å²	180	139 Å²	139	92%	0.923	77%	0.768	S	S	*	*			trans	173.9	145.6	144.8	-91.2	154.7	0	0	0	106.4
913	S	34.2	Very low	38.4	Very low	94 Å²	94	141.6 Å²	141.6	66%	0.657	78%	0.775	S	S	*	*			trans	-126	152.7	-158.6	53.6	0	0	0	0	114.7
914	N	32.2	Very low	36.8	Very low	148 Å²	148	142.3 Å²	142.3	79%	0.791	78%	0.783	S	S	*	*			trans	79.8	133.7	153.8	-61.3	-15	0	0	0	121.4
915	S	36.2	Very low	35.2	Very low	101 Å²	101	142.8 Å²	142.8	71%	0.706	79%	0.786	S	S	*	*			trans	99.5	98.6	137.7	68.5	0	0	0	0	122.1
916	N	35.3	Very low	34.1	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	78%	0.783	S	S	*	*				64.9	109.7	121.1	-56.8	-4.3	0	0	0	122.2
917	N	30.2	Very low	33.5	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	79%	0.792	S	S	*	*				42.4	122.6	124.7	-52.4	-10.3	0	0	0	120.7
918	Y	34.8	Very low	33.2	Very low	220 Å²	220	143.5 Å²	143.5	86%	0.863	79%	0.793	S	S	*	*				177.8	128.9	96.9	-102.3	-75	0	0	0	114.9
919	S	30.8	Very low	32.7	Very low	91 Å²	91	140.9 Å²	140.9	64%	0.636	79%	0.788	S	S	*	*			trans	53.3	113.4	137.2	-177.6	0	0	0	0	124.2
920	L	29.2	Very low	32.4	Very low	174 Å²	174	143.2 Å²	143.2	91%	0.911	79%	0.791	S	S	*	*			trans	60.7	131	141.5	-84.6	71.3	0	0	0	121.7
921	G	31.5	Very low	32.3	Very low	79 Å²	79	142.7 Å²	142.7	81%	0.814	79%	0.788	S	S	*	*			trans	175.5	75.5	166.5	0	0	0	0	0	117.1
922	A	35.4	Very low	32.2	Very low	90 Å²	90	139.7 Å²	139.7	74%	0.744	78%	0.779	S	S	*	*			trans	34.9	122.3	158.5	0	0	0	0	0	122.9
923	N	29.3	Very low	31.9	Very low	144 Å²	144	136 Å²	136	77%	0.77	77%	0.769	S	S	*	*			trans	44.9	111.7	136.6	-54.1	-0.9	0	0	0	121
924	N	34.6	Very low	31.7	Very low	155 Å²	155	138.8 Å²	138.8	83%	0.829	77%	0.774	S	S	*	*				-170.9	170.9	104.2	-98.8	-36.1	0	0	0	113.6
925	L	28.8	Very low	31.7	Very low	160 Å²	160	138.5 Å²	138.5	84%	0.838	77%	0.772	S	S	*	*			trans	-56.6	137.1	-175.2	-71.5	59.2	0	0	0	113.4
926	C	30.5	Very low	31.4	Very low	105 Å²	105	140.7 Å²	140.7	71%	0.709	78%	0.776	S	S	*	*				176.8	154.5	94.6	-153.5	0	0	0	0	113.7
927	N	28.7	Very low	31.2	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	77%	0.774	S	S	*	*			trans	70.9	158.9	158.7	-79.5	-12.1	0	0	0	121.2
928	P	39	Very low	31.2	Very low	106 Å²	106	137.1 Å²	137.1	69%	0.688	78%	0.778	S	S	*	*			trans	-126.5	-178.6	-149.3	43.6	-30	0	0	0	115.3
929	I	28.4	Very low	31.1	Very low	163 Å²	163	132.1 Å²	132.1	84%	0.836	78%	0.775	S	S	*	*				-177.2	156.2	128.6	-95.9	157.1	0	0	0	111.9
930	Y	28.3	Very low	31	Very low	221 Å²	221	138.2 Å²	138.2	87%	0.867	79%	0.785	S	S	*	*			trans	-54.7	163.2	178.5	-87.9	-106.3	0	0	0	116.4
931	H	31.2	Very low	31.2	Very low	178 Å²	178	139.6 Å²	139.6	82%	0.824	78%	0.784	S	S	*	*			trans	-138.9	137.8	144.4	-148.5	-81.7	0	0	0	113.9
932	S	30	Very low	31.1	Very low	96 Å²	96	143.7 Å²	143.7	67%	0.671	78%	0.782	S	S	*	*			trans	-58.5	160.3	168.9	-68	0	0	0	0	113.1
933	S	31.8	Very low	31.1	Very low	102 Å²	102	146.5 Å²	146.5	71%	0.713	78%	0.784	S	S	*	*			cis	-170.3	-172.4	3.7	40.3	0	0	0	0	108.4
934	M	30	Very low	31.4	Very low	154 Å²	154	147.5 Å²	147.5	76%	0.759	79%	0.79	S	S	*	*			cis	-178.5	161	39.8	-146.9	-172.7	-162.6	0	0	112.9
935	L	31.5	Very low	31.3	Very low	141 Å²	141	143.4 Å²	143.4	74%	0.738	78%	0.784	S	S	*	*			trans	68.8	147.7	166.5	-52.4	170.6	0	0	0	115.5
936	N	31.3	Very low	31.3	Very low	148 Å²	148	142.2 Å²	142.2	79%	0.791	78%	0.783	S	S	*	*			cis	-147.3	175.1	8.1	-128.9	-6.3	0	0	0	111.7
937	A	29.2	Very low	31.2	Very low	89 Å²	89	143.3 Å²	143.3	74%	0.736	79%	0.786	S	S	*	*			trans	-79.1	175.4	167.2	0	0	0	0	0	111
938	S	31.5	Very low	31.5	Very low	111 Å²	111	142.6 Å²	142.6	78%	0.776	79%	0.787	S	S	*	*			cis	-166.5	173.4	26.9	55.9	0	0	0	0	114.7
939	S	32.9	Very low	31.1	Very low	114 Å²	114	142.9 Å²	142.9	80%	0.797	79%	0.792	S	S	*	*			trans	75	134.8	154	-144.7	0	0	0	0	121.2
940	Y	28.2	Very low	31.2	Very low	219 Å²	219	138.6 Å²	138.6	86%	0.859	79%	0.787	S	S	*	*			trans	-92	153.7	156.8	-72.3	-101.5	0	0	0	110
941	K	32.9	Very low	31.5	Very low	203 Å²	203	136.9 Å²	136.9	88%	0.883	79%	0.787	S	S	*	*				-169.3	162.7	123	-110.2	-167.6	172.9	-158.6	0	111.4
942	E	30.5	Very low	31.6	Very low	166 Å²	166	136 Å²	136	78%	0.776	79%	0.789	S	S	*	*			trans	-82.3	149.5	178.2	-63.6	136.9	131.8	0	0	111.7
943	D	34.4	Very low	31.9	Very low	148 Å²	148	136.7 Å²	136.7	79%	0.791	79%	0.791	S	S	*	*				177.6	157.4	109.8	-87.4	-30.4	0	0	0	112.7
944	D	35	Very low	32	Very low	166 Å²	166	137.8 Å²	137.8	89%	0.888	79%	0.793	S	S	*	*			trans	56.5	145.3	161.9	-68.9	-29.2	0	0	0	123.6
945	G	32.6	Very low	32	Very low	68 Å²	68	137.9 Å²	137.9	70%	0.701	79%	0.791	S	S	*	*				133.2	30.7	126.5	0	0	0	0	0	123.8
946	V	30.6	Very low	32	Very low	135 Å²	135	139.6 Å²	139.6	82%	0.818	79%	0.793	S	S	*	*			trans	45.4	107	142.7	177.2	0	0	0	0	120.1
947	V	28.3	Very low	32.5	Very low	129 Å²	129	141.3 Å²	141.3	78%	0.782	82%	0.817	S	S	*	*			trans	64.7	122.1	138.4	-179	0	0	0	0	121.1
948	V	33.3	Very low	32.7	Very low	137 Å²	137	144 Å²	144	83%	0.83	82%	0.821	S	S	*	*				-172.5	154.3	117.8	149.7	0	0	0	0	109.7
949	S	32.3	Very low	32.7	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	82%	0.824	S	S	*	*			trans	-83.5	152.7	-170	54.5	0	0	0	0	117.4
950	G	30.1	Very low	32.7	Very low	72 Å²	72	147.4 Å²	147.4	74%	0.742	83%	0.825	S	S	*	*			trans	106.1	143.6	162.3	0	0	0	0	0	114.3
951	E	34.6	Very low	33	Very low	185 Å²	185	143.2 Å²	143.2	86%	0.864	82%	0.823	S	S	*	*			cis	-146.7	142.6	-0.5	-60.2	-176.3	113.6	0	0	111.2
952	N	32.3	Very low	33	Very low	160 Å²	160	139.5 Å²	139.5	86%	0.856	82%	0.819	S	S	*	*			trans	47	161	146.5	-83.3	-23.7	0	0	0	123.4
953	P	37.4	Very low	33.2	Very low	110 Å²	110	137.7 Å²	137.7	71%	0.714	82%	0.822	S	S	*	*			trans	-113.8	175.8	-150.4	42.8	-36.3	0	0	0	115.2
954	V	33.7	Very low	33.1	Very low	126 Å²	126	137 Å²	137	76%	0.764	83%	0.825	S	S	*	*			trans	-165.2	131.4	130.6	134.9	0	0	0	0	110.3
955	E	29.3	Very low	33	Very low	155 Å²	155	134.8 Å²	134.8	72%	0.724	82%	0.82	S	S	*	*			trans	24.9	146.2	144	-55.5	-170.8	137.7	0	0	121.9
956	F	32.3	Very low	33	Very low	177 Å²	177	140.3 Å²	140.3	78%	0.776	83%	0.83	S	S	*	*			cis	-159.2	173.9	-3.1	-133	-73.5	0	0	0	108.9
957	S	41.7	Very low	33.2	Very low	185 Å²	185	140.8 Å²	140.8	100%	1.294	83%	0.831	S	S	*	*			trans	65.9	0	162.4	70.3	0	0	0	0	118.6

Retrieved 957 of 957 residues in 834 ms (Link to these results)

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