A0A087WXW6_HUMAN Loading...

Sal-like protein 3

Probable transcription factor.

AlphaFold DB , UniProt , Accession A0A087WXW6, Species HUMAN (Homo sapiens, Human), Gene SALL3, Length 960 aa.

						>A0A087WXW6_HUMAN|A0A087WXW6|SALL3
MSRRKQAKPQHLKSDEELLPPDGAPEHAAPGEGAEDADSGPESRSGGEETSVCEKCCAEFFKWADFLEHQRSCTKLPPVLIVHEDAPPGLPSPLLPQTSASGVIFPNPLVSIAATANALDPLSALMKHRKGKPPNVSVFEPKASAEDPFFKHKCRFCAKVFGSDSALQIHLRSHTGERPFKCNICGNRFSTKGNLKVHFQRHKEKYPHIQMNPYPVPEYLDNVPTCSGIPYGMSLPPEKPVTTWLDSKPVLPTVPTSVGLQLPPTVPGAHGYADSPSATPASRSPQRPSPASSECASLSPGLNHVESGVSATAESPQSLLGGPPLTKAEPVSLPCTNARAGDAPVGAQASAAPTSVDGAPTSLGSPGLPAVSEQFKAQFPFGGLLDSMQTSETSKLQQLVENIDKKMTDPNQCVICHRVLSCQSALKMHYRTHTGERPFKCKICGRAFTTKGNLKTHFGVHRAKPPLRVQHSCPICQKKFTNAVVLQQHIRMHMGGQIPNTPLPEGFQDAMDSELAYDDKNAETLSSYDDDMDENSMEDDAELKDAATDPAKPLLSYAGSCPPSPPSVISSIAALENQMKMIDSVMSCQQLTGLKSVENGSGESDRLSNDSSSAVGDLESRSAGSPALSESSSSQALSPAPSNGESFRSKSPGLGAPEEPQEIPLKTERPDSPAAAPGSGGAPGRAGIKEEAPFSLLFLSRERGPSQSTPSLISSAAPTMIKMEVNGHGKAMALGEGPPLPAGVQVPAGPQTVMGPGLAPMLAPPPRRTPKQHNCQSCGKTFSSASALQIHERTHTGEKPFGCTICGRAFTTKGNLKVHMGTHMWNNAPARRGRRLSVENPMALLGGDALKFSEMFQKDLAARAMNVDPSFWNQYAAAITNGLAMKNNEISVIQNGGIPQLPVSLGGSALPPLGSMASGMDKARTGSSPPIVSLDKASSETAASRPFTRFIEDNKEIGIN
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.8	Very low	34.2	Very low	240 Å²	240	175.9 Å²	175.9	100%	1.182	85%	0.851	S	S	*	*				0	143.6	0	-55.9	165.1	-177.2	0	0	108.7
2	S	30.8	Very low	33.8	Very low	119 Å²	119	173.7 Å²	173.7	83%	0.832	85%	0.845	S	S	*	*			cis	-152.2	155	-32.8	-88.5	0	0	0	0	108.6
3	R	41.7	Very low	33.3	Very low	232 Å²	232	174 Å²	174	88%	0.875	84%	0.84	S	S	*	*			trans	-77.7	160.6	176.5	-60.3	172.6	177.3	166.4	-1.4	110.4
4	R	34.6	Very low	32.9	Very low	247 Å²	247	168.1 Å²	168.1	93%	0.932	83%	0.826	S	S	*	*				-144.5	128.5	124.9	-114.2	166.8	-176.4	161.7	1.6	111.6
5	K	50	Low	32.5	Very low	186 Å²	186	166.9 Å²	166.9	81%	0.809	82%	0.824	S	S	*	*			trans	-104.5	156.5	158.2	-67.8	-179.3	174.1	-174.1	0	106.3
6	Q	34.3	Very low	32.3	Very low	185 Å²	185	167.1 Å²	167.1	86%	0.864	82%	0.822	S	S	*	*			trans	171.7	165.3	141.6	-97	158.6	-4.1	0	0	107.6
7	A	30	Very low	31.9	Very low	92 Å²	92	166.5 Å²	166.5	76%	0.76	82%	0.817	S	S	*	*			cis	-164.9	173.4	-38.2	0	0	0	0	0	107.8
8	K	31.7	Very low	31.7	Very low	183 Å²	183	166.1 Å²	166.1	80%	0.796	82%	0.818	S	S	*	*			trans	-116.1	143	176.7	-179.9	178.5	-177.6	-176	0	109.6
9	P	35.3	Very low	31.5	Very low	117 Å²	117	165.5 Å²	165.5	76%	0.76	82%	0.817	S	S	*	*			trans	-117.6	-178.8	154.3	35.5	-24.7	0	0	0	112.2
10	Q	29.6	Very low	33	Very low	175 Å²	175	162.7 Å²	162.7	82%	0.818	81%	0.812	S	S	*	*			trans	-131.6	137.8	-176.7	-67.6	176	-107	0	0	112
11	H	28.5	Very low	33.8	Very low	159 Å²	159	160.3 Å²	160.3	74%	0.736	81%	0.808	S	S	*	*			trans	8.8	126.4	142.3	178.3	-85.1	0	0	0	120.3
12	L	29.4	Very low	33.6	Very low	149 Å²	149	156.7 Å²	156.7	78%	0.78	79%	0.794	S	S	*	*				-166.8	177.8	128.9	-103.9	168.5	0	0	0	112.3
13	K	26.9	Very low	33.5	Very low	178 Å²	178	154.9 Å²	154.9	77%	0.774	79%	0.794	S	S	*	*			trans	-84.1	-175.8	-171.1	-56	-178.8	173.6	-173.7	0	113.1
14	S	28.1	Very low	32.8	Very low	92 Å²	92	148.4 Å²	148.4	64%	0.643	79%	0.79	S	S	*	*			cis	-167.9	157.8	18.4	-8.4	0	0	0	0	113.1
15	D	27.5	Very low	33.5	Very low	150 Å²	150	142 Å²	142	80%	0.802	78%	0.78	S	S	*	*			trans	53.7	164.3	151.4	-53	-65.8	0	0	0	120
16	E	28.6	Very low	32.5	Very low	170 Å²	170	141.3 Å²	141.3	79%	0.794	78%	0.78	S	S	*	*			cis	-151.9	167.7	8.5	-164.5	153.1	53.5	0	0	112.9
17	E	26.5	Very low	32.3	Very low	157 Å²	157	141.5 Å²	141.5	73%	0.734	78%	0.78	S	S	*	*			trans	23.2	132.6	165.2	-81.1	-162.1	79.5	0	0	126.1
18	L	26.9	Very low	32.2	Very low	159 Å²	159	142.2 Å²	142.2	83%	0.832	79%	0.787	S	S	*	*				-173	154.6	103.2	-104.2	162	0	0	0	112.8
19	L	28.4	Very low	32.1	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	79%	0.787	S	S	*	*			trans	-126.2	-157.4	-175.4	-68.7	170.6	0	0	0	112.8
20	P	61.9	Low	33	Very low	109 Å²	109	138.2 Å²	138.2	71%	0.708	79%	0.787	S	S	*	*				-115.3	-158.1	-102.2	40	-20.7	0	0	0	112.3
21	P	49.6	Very low	32.9	Very low	113 Å²	113	133.5 Å²	133.5	73%	0.734	79%	0.786	S	S	*	*				-151.2	166.9	74.6	40.1	-19.3	0	0	0	118.3
22	D	26.3	Very low	33.1	Very low	164 Å²	164	135 Å²	135	88%	0.877	79%	0.793	S	S	*	*			trans	31.3	146.9	149.4	-72	-88.9	0	0	0	126.3
23	G	27.4	Very low	33.1	Very low	81 Å²	81	131.7 Å²	131.7	84%	0.835	80%	0.796	S	S	*	*			trans	157.1	76.8	165.5	0	0	0	0	0	115.8
24	A	27	Very low	33.6	Very low	96 Å²	96	127.5 Å²	127.5	79%	0.793	79%	0.794	S	S	*	*			trans	-150.4	172.7	174.7	0	0	0	0	0	110.5
25	P	50.8	Low	33.8	Very low	112 Å²	112	131.5 Å²	131.5	73%	0.727	80%	0.803	S	S	*	*			cis	-122.4	-160.2	-10.7	41.3	-25.2	0	0	0	111.4
26	E	27.1	Very low	34	Very low	173 Å²	173	131.6 Å²	131.6	81%	0.808	80%	0.803	S	S	*	*				178.1	153.8	122.3	-93.7	-79.1	59.6	0	0	112
27	H	31.8	Very low	34.3	Very low	188 Å²	188	128 Å²	128	87%	0.87	80%	0.803	S	S	*	*			trans	-116	138.3	177.1	-96.9	-106.6	0	0	0	110.8
28	A	26.7	Very low	34.4	Very low	108 Å²	108	127.6 Å²	127.6	89%	0.893	81%	0.806	S	S	*	*			trans	-154.9	129.7	159.5	0	0	0	0	0	114.4
29	A	30.1	Very low	34.8	Very low	96 Å²	96	125.9 Å²	125.9	79%	0.793	81%	0.807	S	S	*	*			trans	-152.6	173.6	157.6	0	0	0	0	0	105.8
30	P	53.4	Low	34.9	Very low	119 Å²	119	121.9 Å²	121.9	77%	0.773	80%	0.803	S	S	*	*			cis	-118.6	-161.1	-7.9	41	-25.8	0	0	0	111.3
31	G	28.5	Very low	33.9	Very low	77 Å²	77	122.6 Å²	122.6	79%	0.794	81%	0.808	S	S	*	*			trans	-162.4	128.5	168	0	0	0	0	0	110.9
32	E	32.5	Very low	32.9	Very low	189 Å²	189	125.6 Å²	125.6	88%	0.883	81%	0.812	S	S	*	*			trans	-125.2	143.9	-170.6	-56	-177.2	164.8	0	0	110.3
33	G	30.3	Very low	33.6	Very low	81 Å²	81	124 Å²	124	84%	0.835	81%	0.813	S	S	*	*			trans	177.8	135.4	177.7	0	0	0	0	0	113.6
34	A	35.6	Very low	34	Very low	90 Å²	90	130.4 Å²	130.4	74%	0.744	81%	0.812	S	S	*	*			trans	-90.9	-172.5	167.2	0	0	0	0	0	109
35	E	32.2	Very low	34.4	Very low	175 Å²	175	131.5 Å²	131.5	82%	0.818	81%	0.814	S	S	*	*			cis	-158.6	158.1	17.7	47.3	-146.9	72	0	0	112.7
36	D	31.9	Very low	33.3	Very low	152 Å²	152	130.1 Å²	130.1	81%	0.813	82%	0.82	S	S	*	*			trans	39.4	134.7	156.5	-78.3	-105.8	0	0	0	126.9
37	A	34.6	Very low	33.8	Very low	96 Å²	96	125.2 Å²	125.2	79%	0.793	82%	0.816	S	S	*	*			trans	65.7	154.3	140.2	0	0	0	0	0	121.4
38	D	30	Very low	34.7	Very low	148 Å²	148	124.2 Å²	124.2	79%	0.791	81%	0.812	S	S	*	*			cis	-162	129.9	-31.5	171.5	37.6	0	0	0	107.7
39	S	34.1	Very low	36.2	Very low	122 Å²	122	126.4 Å²	126.4	85%	0.853	80%	0.804	S	S	*	*			trans	175.9	122.7	165.1	-83.8	0	0	0	0	110.6
40	G	32	Very low	38.2	Very low	71 Å²	71	124.7 Å²	124.7	73%	0.732	78%	0.783	S	S	*	*			trans	-126.6	-174.7	168.2	0	0	0	0	0	112.4
41	P	40.5	Very low	39.4	Very low	123 Å²	123	119.6 Å²	119.6	80%	0.799	75%	0.75	S	S	*	*			cis	-123.8	130.7	-7.7	35.1	-19.4	0	0	0	112.8
42	E	28.5	Very low	41.9	Very low	177 Å²	177	119.1 Å²	119.1	83%	0.827	73%	0.732	S	S	*	*			trans	-71.8	135	171.8	-79.6	-146.3	106.4	0	0	112.3	R44	E42-R44 PolarHBondContact O-N 3.25Å
43	S	40.5	Very low	44.2	Very low	129 Å²	129	110.3 Å²	110.3	90%	0.902	69%	0.691	S	S	*	*			trans	-81.4	99	175	-67.6	0	0	0	0	111.5
44	R	35.1	Very low	46.2	Very low	217 Å²	217	114.7 Å²	114.7	82%	0.819	69%	0.69	S	S	*	*			trans	-126.8	138	165.1	-93.3	179.3	167.2	157.2	-1.3	112.4	E42 G46	E42-R44 PolarHBondContact O-N 3.25Å; R44-G46 PolarHBondContact O-N 3.42Å
45	S	35.3	Very low	48.1	Very low	119 Å²	119	115.2 Å²	115.2	83%	0.832	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-56.1	121.5	-178.9	50	0	0	0	0	112	G47	S45-G47 PolarHBondContact O-N 3.24Å
46	G	29.1	Very low	50.3	Low	83 Å²	83	110 Å²	110	86%	0.856	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-63.6	121.4	173.2	0	0	0	0	0	111.4	R44	R44-G46 PolarHBondContact O-N 3.42Å
47	G	38	Very low	52.5	Low	70 Å²	70	107.6 Å²	107.6	72%	0.722	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-79	142.2	162.8	0	0	0	0	0	109.9	S45 E49	S45-G47 PolarHBondContact O-N 3.24Å; G47-E49 PolarHBondContact O-N 3.42Å; G47-E49 VanDerWaalsContact O-N 3.16Å
48	E	50.5	Low	54.5	Low	166 Å²	166	104.6 Å²	104.6	78%	0.776	63%	0.627	S	S	*	*			trans	-72.7	103.3	175.3	55.5	-169	111.4	0	0	110.7	T50	E48-T50 PolarHBondContact O-N 3.25Å
49	E	57.4	Low	57	Low	155 Å²	155	103.7 Å²	103.7	72%	0.724	62%	0.618	S	S	*	*			trans	-74.4	120.1	179.8	61.3	-174.1	116.9	0	0	111.8	G47	G47-E49 PolarHBondContact O-N 3.42Å; G47-E49 VanDerWaalsContact O-N 3.16Å
50	T	72.6	Confident	59.4	Low	60 Å²	60	99.8 Å²	99.8	37%	0.368	59%	0.585	S	S	.	*			trans	-87.6	114.5	178.2	45.1	0	0	0	0	111	E48 V52 F61	E48-T50 PolarHBondContact O-N 3.25Å; T50-V52 PolarHBondContact O-N 2.92Å; T50-F61 HydrophobicContact CG2-CD1 3.64Å; T50-F61 HydrophobicContact CG2-CD2 4.38Å; T50-F61 HydrophobicContact CG2-CE1 3.45Å; T50-F61 VanDerWaalsContact CG2-CE1 3.45Å; T50-F61 HydrophobicContact CG2-CE2 4.2Å; T50-F61 HydrophobicContact CG2-CG 4.1Å; T50-F61 HydrophobicContact CG2-CZ 3.75Å
51	S	79.2	Confident	61.8	Low	11 Å²	11	103 Å²	103	8%	0.077	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.1	113.7	-177.3	-34.5	0	0	0	0	110.3	F60	S51-F60 PolarHBondContact N-O 3.22Å; S51-F60 PolarHBondContact O-N 3.14Å
52	V	79.4	Confident	63.6	Low	68 Å²	68	103.4 Å²	103.4	41%	0.412	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.3	124.7	-175.6	-168.5	0	0	0	0	111.5	T50 E54 E59	T50-V52 PolarHBondContact O-N 2.92Å; V52-E54 PolarHBondContact O-N 3.26Å; V52-E59 HydrophobicContact CG1-CG 4.23Å; V52-E59 HydrophobicContact CG2-CB 4.44Å; V52-E59 HydrophobicContact CG2-CG 3.99Å
53	C	81.3	Confident	65.8	Low	4 Å²	4	101.9 Å²	101.9	3%	0.027	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.1	105.7	-178.6	-179.8	0	0	0	0	112	K55 C56 C57 A58 F60 F66 H69	C53-K55 PolarHBondContact O-N 2.94Å; C53-C56 PolarHBondContact O-N 3.26Å; C53-C57 WeakPolarHBondContact O-CA 3.33Å; C53-C57 PolarHBondContact O-N 3.5Å; C53-A58 PolarHBondContact N-O 3.24Å; C53-F60 HydrophobicContact CB-CE2 4.22Å; C53-F66 HydrophobicContact CB-CE2 4.19Å; C53-H69 PolarHBondContact SG-CD2 2.92Å; C53-H69 PolarHBondContact SG-NE2 3.12Å
54	E	73.3	Confident	67.7	Low	173 Å²	173	99 Å²	99	81%	0.808	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-20	174.7	-53.9	179	141.4	0	0	114.6	V52 K75	V52-E54 PolarHBondContact O-N 3.26Å; E54-K75 PolarHBondContact O-NZ 2.94Å; E54-K75 VanDerWaalsContact O-NZ 3.13Å
55	K	74.3	Confident	69.9	Low	101 Å²	101	92.1 Å²	92.1	44%	0.439	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-16.4	178.5	-64.3	-176.2	-176.3	175.1	0	114.3	C53 C73 K75	C53-K55 PolarHBondContact O-N 2.94Å; K55-C73 HydrophobicContact CB-CB 4.18Å; K55-C73 WeakPolarHBondContact CB-SG 3.47Å; K55-C73 HydrophobicContact CD-CB 4.41Å; K55-C73 WeakPolarHBondContact CD-O 3.49Å; K55-K75 WeakPolarHBondContact O-CE 3.42Å; K55-K75 VanDerWaalsContact O-CG 3.26Å; K55-K75 WeakPolarHBondContact O-CG 3.42Å
56	C	78.4	Confident	72.3	Confident	65 Å²	65	87.5 Å²	87.5	44%	0.439	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.7	5.8	172.6	74.1	0	0	0	0	116.5	C53 A58 H69	C53-C56 PolarHBondContact O-N 3.26Å; C56-A58 PolarHBondContact O-N 3.43Å; C56-A58 WeakPolarHBondContact SG-CB 3.46Å; C56-H69 PolarHBondContact SG-CE1 3.36Å; C56-H69 PolarHBondContact SG-NE2 2.96Å
57	C	78.6	Confident	74.6	Confident	102 Å²	102	86.2 Å²	86.2	69%	0.689	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	29.2	-175.2	-51.8	0	0	0	0	114.3	C53	C53-C57 WeakPolarHBondContact O-CA 3.33Å; C53-C57 PolarHBondContact O-N 3.5Å
58	A	77.3	Confident	76.7	Confident	33 Å²	33	89.9 Å²	89.9	27%	0.273	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.3	169.9	0	0	0	0	0	110.6	C53 C56 F60	C53-A58 PolarHBondContact N-O 3.24Å; C56-A58 PolarHBondContact O-N 3.43Å; C56-A58 WeakPolarHBondContact SG-CB 3.46Å; A58-F60 HydrophobicContact CB-CE2 3.62Å; A58-F60 HydrophobicContact CB-CZ 3.96Å; A58-F60 WeakPolarHBondContact O-CD2 3.39Å; A58-F60 WeakPolarHBondContact O-CE2 3.3Å
59	E	81.5	Confident	78.2	Confident	128 Å²	128	83.8 Å²	83.8	60%	0.598	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.9	-179.9	-50.5	178.6	168.1	0	0	110.3	V52	V52-E59 HydrophobicContact CG1-CG 4.23Å; V52-E59 HydrophobicContact CG2-CB 4.44Å; V52-E59 HydrophobicContact CG2-CG 3.99Å
60	F	84.4	Confident	79.3	Confident	40 Å²	40	80.6 Å²	80.6	18%	0.175	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.6	-178.5	-64.2	-92.2	0	0	0	110.5	S51 C53 A58 K62 D65 F66 H69	S51-F60 PolarHBondContact N-O 3.22Å; S51-F60 PolarHBondContact O-N 3.14Å; C53-F60 HydrophobicContact CB-CE2 4.22Å; A58-F60 HydrophobicContact CB-CE2 3.62Å; A58-F60 HydrophobicContact CB-CZ 3.96Å; A58-F60 WeakPolarHBondContact O-CD2 3.39Å; A58-F60 WeakPolarHBondContact O-CE2 3.3Å; F60-K62 PolarHBondContact O-N 3.44Å; F60-D65 HydrophobicContact CD1-CB 3.89Å; F60-F66 HydrophobicContact CB-CB 3.91Å; F60-F66 HydrophobicContact CD2-CB 4.34Å; F60-F66 AromaticContact CD2-CD2 3.99Å; F60-F66 HydrophobicContact CD2-CD2 3.99Å; F60-F66 HydrophobicContact CG-CB 4.15Å; F60-H69 HydrophobicContact CE1-CB 3.9Å; F60-H69 HydrophobicContact CE2-CB 4Å; F60-H69 AromaticContact CE2-CD2 3.51Å; F60-H69 AromaticContact CE2-CG 3.68Å; F60-H69 HydrophobicContact CZ-CB 3.47Å; F60-H69 VanDerWaalsContact CZ-CB 3.47Å; F60-H69 AromaticContact CZ-CD2 3.61Å; F60-H69 AromaticContact CZ-CG 3.27Å; F60-H69 AromaticContact CZ-ND1 3.75Å
61	F	82.4	Confident	79.5	Confident	138 Å²	138	87.9 Å²	87.9	61%	0.605	43%	0.433	S	S	*	.	S	Bend	trans	-83.8	9.7	176.8	-67.4	-101.1	0	0	0	112.6	T50	T50-F61 HydrophobicContact CG2-CD1 3.64Å; T50-F61 HydrophobicContact CG2-CD2 4.38Å; T50-F61 HydrophobicContact CG2-CE1 3.45Å; T50-F61 VanDerWaalsContact CG2-CE1 3.45Å; T50-F61 HydrophobicContact CG2-CE2 4.2Å; T50-F61 HydrophobicContact CG2-CG 4.1Å; T50-F61 HydrophobicContact CG2-CZ 3.75Å
62	K	78.4	Confident	79	Confident	132 Å²	132	91.1 Å²	91.1	57%	0.574	46%	0.456	S	S	*	.	S	Bend	trans	-147.6	126.7	-178.3	-69.2	-175.7	-177.4	175.8	0	110.1	F60 A64 D65 F66	F60-K62 PolarHBondContact O-N 3.44Å; K62-A64 VanDerWaalsContact C-N 3.26Å; K62-A64 PolarHBondContact O-N 3.49Å; K62-D65 HydrophobicContact CB-CB 4.18Å; K62-D65 PolarHBondContact O-N 3.28Å; K62-F66 PolarHBondContact O-N 3.37Å
63	W	74.2	Confident	78.9	Confident	146 Å²	146	88.7 Å²	88.7	55%	0.553	44%	0.442	S	S	*	.	H	α-helix	trans	-63.3	-29.8	179.6	-157.8	-95.3	0	0	0	113.3	F66 L67	W63-F66 HydrophobicContact CD2-CD1 4.48Å; W63-F66 HydrophobicContact CZ2-CE1 4.38Å; W63-L67 WeakPolarHBondContact O-CB 3.43Å; W63-L67 VanDerWaalsContact O-CG 3.29Å; W63-L67 WeakPolarHBondContact O-CG 3.02Å; W63-L67 PolarHBondContact O-N 3.13Å
64	A	81.6	Confident	78.4	Confident	68 Å²	68	94.8 Å²	94.8	56%	0.562	48%	0.479	S	S	*	.	H	α-helix	trans	-64.9	-53.1	174.9	0	0	0	0	0	111.9	K62 F66 L67 E68	K62-A64 VanDerWaalsContact C-N 3.26Å; K62-A64 PolarHBondContact O-N 3.49Å; A64-F66 VanDerWaalsContact C-N 3.26Å; A64-F66 PolarHBondContact O-N 3.19Å; A64-L67 PolarHBondContact O-N 3.28Å; A64-L67 VanDerWaalsContact O-N 3.13Å; A64-E68 PolarHBondContact O-N 2.84Å
65	D	80.7	Confident	77.4	Confident	73 Å²	73	93.3 Å²	93.3	39%	0.39	47%	0.47	S	S	.	.	H	α-helix	trans	-59	-39.3	177.6	-52.4	15.3	0	0	0	110.8	F60 K62 H69	F60-D65 HydrophobicContact CD1-CB 3.89Å; K62-D65 HydrophobicContact CB-CB 4.18Å; K62-D65 PolarHBondContact O-N 3.28Å; D65-H69 VanDerWaalsContact O-CB 3.27Å; D65-H69 WeakPolarHBondContact O-CB 3.26Å; D65-H69 PolarHBondContact O-N 3.21Å
66	F	84.9	Confident	75.7	Confident	22 Å²	22	96.1 Å²	96.1	10%	0.096	49%	0.488	C	S	.	.	H	α-helix	trans	-60.3	-47.9	172.9	174.2	-100.6	0	0	0	112.8	C53 F60 K62 W63 A64 H69 Q70	C53-F66 HydrophobicContact CB-CE2 4.19Å; F60-F66 HydrophobicContact CB-CB 3.91Å; F60-F66 HydrophobicContact CD2-CB 4.34Å; F60-F66 AromaticContact CD2-CD2 3.99Å; F60-F66 HydrophobicContact CD2-CD2 3.99Å; F60-F66 HydrophobicContact CG-CB 4.15Å; K62-F66 PolarHBondContact O-N 3.37Å; W63-F66 HydrophobicContact CD2-CD1 4.48Å; W63-F66 HydrophobicContact CZ2-CE1 4.38Å; A64-F66 VanDerWaalsContact C-N 3.26Å; A64-F66 PolarHBondContact O-N 3.19Å; F66-H69 PolarHBondContact O-N 3.05Å; F66-Q70 WeakPolarHBondContact O-CB 3.36Å; F66-Q70 PolarHBondContact O-N 3.23Å
67	L	78.3	Confident	73.8	Confident	56 Å²	56	98 Å²	98	29%	0.293	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-37.9	-179.8	-74.5	173.1	0	0	0	112.7	W63 A64 H69 Q70 R71	W63-L67 WeakPolarHBondContact O-CB 3.43Å; W63-L67 VanDerWaalsContact O-CG 3.29Å; W63-L67 WeakPolarHBondContact O-CG 3.02Å; W63-L67 PolarHBondContact O-N 3.13Å; A64-L67 PolarHBondContact O-N 3.28Å; A64-L67 VanDerWaalsContact O-N 3.13Å; L67-H69 VanDerWaalsContact C-N 3.35Å; L67-Q70 PolarHBondContact O-N 2.91Å; L67-R71 WeakPolarHBondContact O-CD 3.44Å; L67-R71 VanDerWaalsContact O-CG 3.26Å; L67-R71 WeakPolarHBondContact O-CG 3.38Å; L67-R71 PolarHBondContact O-N 3.04Å
68	E	81.3	Confident	72	Confident	146 Å²	146	99.4 Å²	99.4	68%	0.682	51%	0.508	S	S	*	.	H	α-helix	trans	-66.9	-38.6	174.6	-172.2	169	-150.6	0	0	111.3	A64 S72	A64-E68 PolarHBondContact O-N 2.84Å; E68-S72 PolarHBondContact O-N 3.26Å; E68-S72 PolarHBondContact O-OG 3.04Å
69	H	82.4	Confident	70	Confident	39 Å²	39	103.9 Å²	103.9	18%	0.181	53%	0.531	C	S	.	.	H	α-helix	trans	-64.4	-44.1	170.2	176.7	72.2	0	0	0	112.7	C53 C56 F60 D65 F66 L67 R71 S72 C73	C53-H69 PolarHBondContact SG-CD2 2.92Å; C53-H69 PolarHBondContact SG-NE2 3.12Å; C56-H69 PolarHBondContact SG-CE1 3.36Å; C56-H69 PolarHBondContact SG-NE2 2.96Å; F60-H69 HydrophobicContact CE1-CB 3.9Å; F60-H69 HydrophobicContact CE2-CB 4Å; F60-H69 AromaticContact CE2-CD2 3.51Å; F60-H69 AromaticContact CE2-CG 3.68Å; F60-H69 HydrophobicContact CZ-CB 3.47Å; F60-H69 VanDerWaalsContact CZ-CB 3.47Å; F60-H69 AromaticContact CZ-CD2 3.61Å; F60-H69 AromaticContact CZ-CG 3.27Å; F60-H69 AromaticContact CZ-ND1 3.75Å; D65-H69 VanDerWaalsContact O-CB 3.27Å; D65-H69 WeakPolarHBondContact O-CB 3.26Å; D65-H69 PolarHBondContact O-N 3.21Å; F66-H69 PolarHBondContact O-N 3.05Å; L67-H69 VanDerWaalsContact C-N 3.35Å; H69-R71 PolarHBondContact O-N 2.92Å; H69-S72 WeakPolarHBondContact CA-OG 3.27Å; H69-S72 CarbonylContact O-C 3.44Å; H69-S72 PolarHBondContact O-N 2.72Å; H69-S72 PolarHBondContact O-OG 3.19Å; H69-S72 VanDerWaalsContact O-OG 3.11Å; H69-C73 VanDerWaalsContact O-CB 3.29Å; H69-C73 WeakPolarHBondContact O-CB 3.45Å; H69-C73 PolarHBondContact O-N 2.86Å
70	Q	80.5	Confident	67.7	Low	88 Å²	88	105.5 Å²	105.5	41%	0.411	54%	0.543	S	S	.	.	H	α-helix	trans	-60.9	-32.9	-179	-165	-171	33.3	0	0	112.3	F66 L67	F66-Q70 WeakPolarHBondContact O-CB 3.36Å; F66-Q70 PolarHBondContact O-N 3.23Å; L67-Q70 PolarHBondContact O-N 2.91Å
71	R	78.1	Confident	65.3	Low	212 Å²	212	111 Å²	111	80%	0.8	57%	0.573	S	S	*	*	H	α-helix	trans	-71.9	-24.5	174.5	-68.5	167.1	-169	-152.7	1.2	113.7	L67 H69	L67-R71 WeakPolarHBondContact O-CD 3.44Å; L67-R71 VanDerWaalsContact O-CG 3.26Å; L67-R71 WeakPolarHBondContact O-CG 3.38Å; L67-R71 PolarHBondContact O-N 3.04Å; H69-R71 PolarHBondContact O-N 2.92Å
72	S	67.8	Low	62.9	Low	80 Å²	80	109.8 Å²	109.8	56%	0.559	58%	0.576	S	S	*	*	H	α-helix	trans	-107.1	-10	-177.4	51.4	0	0	0	0	114.1	E68 H69 T74	E68-S72 PolarHBondContact O-N 3.26Å; E68-S72 PolarHBondContact O-OG 3.04Å; H69-S72 WeakPolarHBondContact CA-OG 3.27Å; H69-S72 CarbonylContact O-C 3.44Å; H69-S72 PolarHBondContact O-N 2.72Å; H69-S72 PolarHBondContact O-OG 3.19Å; H69-S72 VanDerWaalsContact O-OG 3.11Å; S72-T74 PolarHBondContact O-N 2.83Å; S72-T74 VanDerWaalsContact O-N 3.15Å
73	C	77.9	Confident	60.6	Low	17 Å²	17	112.4 Å²	112.4	12%	0.115	59%	0.591	C	S	.	*			trans	-80.6	94.1	-176.9	-165	0	0	0	0	113	K55 H69	K55-C73 HydrophobicContact CB-CB 4.18Å; K55-C73 WeakPolarHBondContact CB-SG 3.47Å; K55-C73 HydrophobicContact CD-CB 4.41Å; K55-C73 WeakPolarHBondContact CD-O 3.49Å; H69-C73 VanDerWaalsContact O-CB 3.29Å; H69-C73 WeakPolarHBondContact O-CB 3.45Å; H69-C73 PolarHBondContact O-N 2.86Å
74	T	70.1	Confident	58.7	Low	132 Å²	132	113.8 Å²	113.8	81%	0.81	60%	0.603	S	S	*	*			trans	-100.4	112.3	170.4	46.2	0	0	0	0	111.3	S72 L76	S72-T74 PolarHBondContact O-N 2.83Å; S72-T74 VanDerWaalsContact O-N 3.15Å; T74-L76 PolarHBondContact O-N 2.79Å
75	K	53.2	Low	56.2	Low	142 Å²	142	118.3 Å²	118.3	62%	0.617	62%	0.618	S	S	*	*			trans	-69.8	124.9	165.7	-79.6	-179.4	174.1	160	0	108.9	E54 K55	E54-K75 PolarHBondContact O-NZ 2.94Å; E54-K75 VanDerWaalsContact O-NZ 3.13Å; K55-K75 WeakPolarHBondContact O-CE 3.42Å; K55-K75 VanDerWaalsContact O-CG 3.26Å; K55-K75 WeakPolarHBondContact O-CG 3.42Å
76	L	38.8	Very low	53.7	Low	159 Å²	159	119.3 Å²	119.3	83%	0.832	64%	0.636	S	S	*	*			trans	-179.3	114.1	136	-102.7	173.4	0	0	0	112.2	T74	T74-L76 PolarHBondContact O-N 2.79Å
77	P	37.8	Very low	51.7	Low	105 Å²	105	123.9 Å²	123.9	68%	0.682	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-99	124	161	33.4	-25.6	0	0	0	110.7	V79	P77-V79 PolarHBondContact O-N 3.1Å
78	P	41.3	Very low	50.3	Low	132 Å²	132	127.3 Å²	127.3	86%	0.857	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-75.6	117.4	173.4	29.5	-32.2	0	0	0	110.7
79	V	34.9	Very low	47.6	Very low	126 Å²	126	124 Å²	124	76%	0.764	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-102.2	134	168.8	176.8	0	0	0	0	108.6	P77	P77-V79 PolarHBondContact O-N 3.1Å
80	L	32.9	Very low	45.2	Very low	162 Å²	162	130.1 Å²	130.1	85%	0.848	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-77.7	126.9	178.4	-69.3	166.9	0	0	0	111.3
81	I	34.8	Very low	43.6	Very low	157 Å²	157	131.5 Å²	131.5	81%	0.805	75%	0.749	S	S	*	*			trans	-132.2	139.2	152.9	-60	-177.9	0	0	0	106.7
82	V	30.7	Very low	41.2	Very low	111 Å²	111	126.6 Å²	126.6	67%	0.673	75%	0.746	S	S	*	*			trans	-119.5	136.9	-178.8	173.8	0	0	0	0	108.7
83	H	30.6	Very low	40.1	Very low	188 Å²	188	128.4 Å²	128.4	87%	0.87	76%	0.757	S	S	*	*			trans	-150.1	142.1	152.2	-105.8	-85.2	0	0	0	108.5
84	E	33.7	Very low	37.7	Very low	175 Å²	175	135.8 Å²	135.8	82%	0.818	79%	0.794	S	S	*	*			trans	-108.9	146.4	175.5	-62.5	-171.3	102.4	0	0	109.9
85	D	29	Very low	35.8	Very low	163 Å²	163	136.2 Å²	136.2	87%	0.872	79%	0.79	S	S	*	*			trans	-164.9	112.5	149.5	-107	-41.5	0	0	0	113
86	A	30.1	Very low	35.2	Very low	94 Å²	94	135.5 Å²	135.5	78%	0.777	80%	0.801	S	S	*	*			trans	55.1	152.1	154.4	0	0	0	0	0	124.6
87	P	42.3	Very low	34.7	Very low	118 Å²	118	135.3 Å²	135.3	77%	0.766	80%	0.795	S	S	*	*			trans	-114.1	-160.4	-177.4	47.8	-36.8	0	0	0	112
88	P	47.5	Very low	34.1	Very low	127 Å²	127	135.9 Å²	135.9	83%	0.825	80%	0.797	S	S	*	*			cis	-140.3	173.2	2.8	42.9	-23.9	0	0	0	119
89	G	26.3	Very low	33.4	Very low	76 Å²	76	134.5 Å²	134.5	78%	0.784	79%	0.79	S	S	*	*			trans	-170.7	138.1	164.5	0	0	0	0	0	112.6
90	L	31.8	Very low	33	Very low	168 Å²	168	132.9 Å²	132.9	88%	0.88	79%	0.79	S	S	*	*			trans	-135	172.7	-174.1	-81.6	173.3	0	0	0	110.3
91	P	45.7	Very low	32.8	Very low	118 Å²	118	131.3 Å²	131.3	77%	0.766	79%	0.793	S	S	*	*			cis	-130.5	-176.8	4.1	38.5	-19.9	0	0	0	115.8
92	S	27.5	Very low	32.6	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	78%	0.784	S	S	*	*			trans	-103.3	177.6	169.3	-43.8	0	0	0	0	112.7
93	P	45.6	Very low	32.7	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	79%	0.794	S	S	*	*				-145.3	137	121.7	29.9	-11.4	0	0	0	118
94	L	26.8	Very low	32.6	Very low	172 Å²	172	126.5 Å²	126.5	90%	0.901	79%	0.789	S	S	*	*			trans	76.4	155.2	145.3	-60.3	172.3	0	0	0	122.2
95	L	30.5	Very low	32.3	Very low	140 Å²	140	127.1 Å²	127.1	73%	0.733	79%	0.79	S	S	*	*			trans	-120.2	175.3	-171.4	-63.9	169.3	0	0	0	111
96	P	40.7	Very low	32.7	Very low	128 Å²	128	125.1 Å²	125.1	83%	0.831	79%	0.785	S	S	*	*				-128.9	172.2	89	4.8	17.8	0	0	0	116.3
97	Q	27.7	Very low	32.6	Very low	154 Å²	154	127.7 Å²	127.7	72%	0.72	79%	0.786	S	S	*	*			trans	-87.3	176.3	175.5	-61.2	-89.7	-17.2	0	0	110.2
98	T	25.8	Very low	32.7	Very low	118 Å²	118	127.1 Å²	127.1	72%	0.724	78%	0.783	S	S	*	*			cis	-161	149	35.4	52	0	0	0	0	115.4
99	S	27	Very low	31.8	Very low	102 Å²	102	128.4 Å²	128.4	71%	0.713	78%	0.782	S	S	*	*			trans	55.8	112.2	137.5	70	0	0	0	0	124.8
100	A	27	Very low	32	Very low	92 Å²	92	131.1 Å²	131.1	76%	0.76	78%	0.783	S	S	*	*				82.5	147.7	115.9	0	0	0	0	0	124.3
101	S	27.7	Very low	32	Very low	129 Å²	129	128.2 Å²	128.2	90%	0.902	78%	0.776	S	S	*	*			trans	78.1	139.5	157.7	-66.5	0	0	0	0	121.2
102	G	31.4	Very low	31.3	Very low	61 Å²	61	130.9 Å²	130.9	63%	0.629	78%	0.782	S	S	*	*			trans	107.5	76.4	148.7	0	0	0	0	0	118.2	I104	G102-I104 PolarHBondContact O-N 2.99Å
103	V	31	Very low	31.4	Very low	146 Å²	146	130.1 Å²	130.1	89%	0.885	78%	0.783	S	S	*	*			trans	-75.8	107.9	158.4	178.5	0	0	0	0	108.3
104	I	29.6	Very low	30.6	Very low	148 Å²	148	129 Å²	129	76%	0.759	78%	0.783	S	S	*	*			trans	-120.2	126.1	178.9	-61.3	177.3	0	0	0	108.6	G102	G102-I104 PolarHBondContact O-N 2.99Å
105	F	26.3	Very low	30.9	Very low	189 Å²	189	127.7 Å²	127.7	83%	0.829	78%	0.783	S	S	*	*			trans	-73.4	130.7	172.1	-81.8	-95.5	0	0	0	110.4
106	P	38.8	Very low	30.9	Very low	120 Å²	120	125 Å²	125	78%	0.779	78%	0.78	S	S	*	*			trans	-75.5	132.9	169.3	30.9	-32.6	0	0	0	110.6
107	N	27	Very low	30.5	Very low	148 Å²	148	126.9 Å²	126.9	79%	0.791	78%	0.783	S	S	*	*			trans	-99.7	115.8	169.1	-176	25.7	0	0	0	108.9
108	P	44.3	Very low	30.7	Very low	107 Å²	107	124 Å²	124	70%	0.695	79%	0.785	S	S	*	*			trans	-87.9	120.7	-171.5	32.5	-33.1	0	0	0	112.7
109	L	30.3	Very low	31.2	Very low	154 Å²	154	127 Å²	127	81%	0.806	80%	0.796	S	S	*	*			trans	-145.3	153	164.1	-78.6	-178.2	0	0	0	112
110	V	29.7	Very low	31.5	Very low	133 Å²	133	129.2 Å²	129.2	81%	0.806	80%	0.8	S	S	*	*			trans	84	133.9	172.4	-171	0	0	0	0	116.5
111	S	31.3	Very low	32.3	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	79%	0.792	S	S	*	*			trans	64.3	94.2	171.4	-66.7	0	0	0	0	118.7
112	I	31.5	Very low	32.4	Very low	175 Å²	175	131.2 Å²	131.2	90%	0.897	79%	0.792	S	S	*	*				-144.4	151.5	89.6	-88.6	152.7	0	0	0	107.9
113	A	28.4	Very low	32.4	Very low	92 Å²	92	134.3 Å²	134.3	76%	0.76	80%	0.804	S	S	*	*			trans	-131.5	166.9	177.1	0	0	0	0	0	111
114	A	29.9	Very low	32.6	Very low	94 Å²	94	132 Å²	132	78%	0.777	80%	0.8	S	S	*	*			trans	68.9	92.7	171.6	0	0	0	0	0	118
115	T	33.7	Very low	32.9	Very low	146 Å²	146	132.7 Å²	132.7	90%	0.896	81%	0.805	S	S	*	*				-174.8	148.4	118.3	35.7	0	0	0	0	107.7
116	A	29.7	Very low	33.6	Very low	82 Å²	82	132.9 Å²	132.9	68%	0.678	81%	0.81	S	S	*	*			cis	175	120.3	-22.9	0	0	0	0	0	105
117	N	33	Very low	33.7	Very low	168 Å²	168	136.7 Å²	136.7	90%	0.898	82%	0.815	S	S	*	*			trans	29.4	112.3	159.8	-56.4	-24.7	0	0	0	121.1
118	A	30.5	Very low	34.1	Very low	93 Å²	93	139 Å²	139	77%	0.769	82%	0.82	S	S	*	*			trans	-158.7	111.6	143	0	0	0	0	0	113.5
119	L	37.8	Very low	33.7	Very low	181 Å²	181	145.8 Å²	145.8	95%	0.948	83%	0.832	S	S	*	*			trans	69.8	161	155	-53.7	176.7	0	0	0	120.3
120	D	32.6	Very low	33.8	Very low	150 Å²	150	148.6 Å²	148.6	80%	0.802	84%	0.838	S	S	*	*			trans	-155.2	-177.9	-157	-170.6	44.2	0	0	0	106.8
121	P	43	Very low	33.9	Very low	90 Å²	90	145.8 Å²	145.8	58%	0.584	84%	0.835	S	S	*	*			cis	-121.4	147.1	-24.3	14.5	8.2	0	0	0	114
122	L	29.6	Very low	33.9	Very low	172 Å²	172	150.5 Å²	150.5	90%	0.901	84%	0.842	S	S	*	*	S	Bend	trans	-157.6	38.7	156.6	-117.6	179.6	0	0	0	115.3
123	S	32.9	Very low	34.1	Very low	127 Å²	127	147.8 Å²	147.8	89%	0.888	84%	0.837	S	S	*	*			trans	-145	33.2	179.4	-74.1	0	0	0	0	114.6
124	A	34.4	Very low	34.5	Very low	97 Å²	97	149.7 Å²	149.7	80%	0.802	84%	0.841	S	S	*	*			trans	-108.1	30.2	-172.4	0	0	0	0	0	115.4
125	L	36.1	Very low	34.5	Very low	162 Å²	162	151.8 Å²	151.8	85%	0.848	84%	0.839	S	S	*	*	S	Bend	trans	-146.7	63.2	177.1	-162.2	81.6	0	0	0	115.1
126	M	40.5	Very low	34.3	Very low	193 Å²	193	151.9 Å²	151.9	95%	0.951	84%	0.839	S	S	*	*			trans	-162.1	50.2	161	-116.1	170	-154.3	0	0	115.1
127	K	42.3	Very low	34.4	Very low	201 Å²	201	152.4 Å²	152.4	87%	0.874	84%	0.838	S	S	*	*			trans	-139.4	61.8	176.4	-76.2	-170.9	179	170.5	0	116
128	H	34.9	Very low	34.3	Very low	195 Å²	195	151.1 Å²	151.1	90%	0.903	84%	0.836	S	S	*	*			trans	-150.5	136.7	149.3	-84.2	-85.8	0	0	0	106.4
129	R	35.7	Very low	34.3	Very low	251 Å²	251	156.4 Å²	156.4	95%	0.947	84%	0.842	S	S	*	*			cis	-123.1	178.7	25	-72.2	175.5	150.5	108.9	-6.1	113.9
130	K	33.3	Very low	34.2	Very low	213 Å²	213	155.8 Å²	155.8	93%	0.926	83%	0.834	S	S	*	*			trans	-144.2	122	-174.4	172.5	-175.9	179.7	-178.7	0	108.9
131	G	30	Very low	34.5	Very low	73 Å²	73	154.6 Å²	154.6	75%	0.753	84%	0.835	S	S	*	*			trans	165.9	90.5	176.7	0	0	0	0	0	118.5
132	K	31.8	Very low	33.9	Very low	205 Å²	205	159.7 Å²	159.7	89%	0.891	85%	0.848	S	S	*	*			trans	21.8	124.6	145.6	-55.2	176.1	-179.3	-179.8	0	120.9
133	P	35.5	Very low	34	Very low	119 Å²	119	155.8 Å²	155.8	77%	0.773	84%	0.84	S	S	*	*			trans	-87.9	159.5	142.6	36	-32	0	0	0	112
134	P	36.9	Very low	33.9	Very low	131 Å²	131	154.4 Å²	154.4	85%	0.851	83%	0.83	S	S	*	*			trans	-81.7	170.3	169	34.5	-34.4	0	0	0	112.8
135	N	29.4	Very low	34.4	Very low	138 Å²	138	154.8 Å²	154.8	74%	0.738	83%	0.834	S	S	*	*			trans	-108.9	133.6	-171.9	-179.9	-34.7	0	0	0	112	S137	N135-S137 PolarHBondContact OD1-N 3.5Å
136	V	30.2	Very low	34.6	Very low	148 Å²	148	155.1 Å²	155.1	90%	0.897	83%	0.831	S	S	*	*			trans	-130.3	136.6	149.2	178.1	0	0	0	0	107.1
137	S	32.6	Very low	34.5	Very low	94 Å²	94	151 Å²	151	66%	0.657	81%	0.812	S	S	*	*			trans	-97.6	140.6	-163.6	55.3	0	0	0	0	114.7	N135	N135-S137 PolarHBondContact OD1-N 3.5Å
138	V	30.7	Very low	35.1	Very low	140 Å²	140	146.2 Å²	146.2	85%	0.848	80%	0.802	S	S	*	*			trans	-130.1	144.1	153.3	179.1	0	0	0	0	107.2	E140	V138-E140 PolarHBondContact O-N 3.37Å
139	F	30.7	Very low	35.9	Very low	205 Å²	205	144.5 Å²	144.5	90%	0.899	79%	0.792	S	S	*	*			trans	-63.2	123.2	-167.7	-88.7	-111.4	0	0	0	113.8
140	E	34.3	Very low	36.9	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	77%	0.771	S	S	*	*			trans	-104.5	127.9	170.4	-164.2	-175.2	173.5	0	0	110.7	V138 K142	V138-E140 PolarHBondContact O-N 3.37Å; E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 3.34Å
141	P	39.8	Very low	38.4	Very low	126 Å²	126	135.5 Å²	135.5	82%	0.818	76%	0.76	S	S	*	*			trans	-71.1	78.1	174.9	-21	34.9	0	0	0	113.4	A143	P141-A143 PolarHBondContact O-N 3.16Å; P141-A143 VanDerWaalsContact O-N 3.11Å
142	K	29.2	Very low	40.6	Very low	197 Å²	197	134.4 Å²	134.4	86%	0.857	74%	0.736	S	S	*	*			trans	4.1	89.8	163.8	-167.9	177.4	-175.1	178	0	115.2	E140 S144	E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 3.34Å; K142-S144 PolarHBondContact O-N 3.13Å
143	A	33.4	Very low	42.9	Very low	89 Å²	89	130.5 Å²	130.5	74%	0.736	72%	0.718	S	S	*	*			trans	-65.6	113.8	173.5	0	0	0	0	0	110.7	P141	P141-A143 PolarHBondContact O-N 3.16Å; P141-A143 VanDerWaalsContact O-N 3.11Å
144	S	29.2	Very low	45.2	Very low	98 Å²	98	125 Å²	125	69%	0.685	68%	0.683	S	S	*	*			trans	-72	137	167.6	-163.2	0	0	0	0	109.7	K142 E146	K142-S144 PolarHBondContact O-N 3.13Å; S144-E146 PolarHBondContact O-N 2.81Å
145	A	45.4	Very low	47.1	Very low	106 Å²	106	129.8 Å²	129.8	88%	0.876	68%	0.684	S	S	*	*			trans	-90.2	76.7	-176.6	0	0	0	0	0	111.5
146	E	41.5	Very low	49.1	Very low	169 Å²	169	129.7 Å²	129.7	79%	0.79	68%	0.677	S	S	*	*			trans	-135	160.8	173.6	-84.8	173.5	131.5	0	0	112.2	S144	S144-E146 PolarHBondContact O-N 2.81Å
147	D	37.9	Very low	51.5	Low	105 Å²	105	125.3 Å²	125.3	56%	0.561	65%	0.653	S	S	*	*			trans	65.9	89.4	175.4	-104.6	-32.1	0	0	0	119.6	F149	D147-F149 PolarHBondContact O-N 3.22Å; D147-F149 VanDerWaalsContact O-N 3.09Å
148	P	55.4	Low	53.7	Low	102 Å²	102	124.6 Å²	124.6	66%	0.662	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-4.2	164	-23.1	35.2	0	0	0	115.8	K151	P148-K151 WeakPolarHBondContact O-CE 3.32Å
149	F	51.4	Low	56	Low	158 Å²	158	123.2 Å²	123.2	69%	0.693	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-19.9	-166.4	-93.9	-87.3	0	0	0	116.4	D147	D147-F149 PolarHBondContact O-N 3.22Å; D147-F149 VanDerWaalsContact O-N 3.09Å
150	F	55.6	Low	58.5	Low	113 Å²	113	116.4 Å²	116.4	50%	0.496	61%	0.61	S	S	.	*			trans	-116.1	49.7	-162.8	-72.6	-55.8	0	0	0	115.3	K153 V160	F150-K153 VanDerWaalsContact O-CE 3.29Å; F150-K153 WeakPolarHBondContact O-CE 3.21Å; F150-K153 PolarHBondContact O-NZ 2.94Å; F150-V160 HydrophobicContact CB-CG1 3.82Å; F150-V160 HydrophobicContact CD1-CB 4.42Å; F150-V160 HydrophobicContact CD1-CG1 3.48Å; F150-V160 VanDerWaalsContact CD1-CG1 3.48Å; F150-V160 HydrophobicContact CE1-CG1 4.4Å; F150-V160 HydrophobicContact CG-CG1 4Å
151	K	64.9	Low	60.9	Low	162 Å²	162	110.6 Å²	110.6	70%	0.704	58%	0.582	S	S	*	*			trans	-71.1	-34.2	-171.7	-55.9	-172.8	-171.4	-172.4	0	114.8	P148 K153	P148-K151 WeakPolarHBondContact O-CE 3.32Å; K151-K153 PolarHBondContact O-N 2.99Å
152	H	77.4	Confident	63	Low	51 Å²	51	107.9 Å²	107.9	24%	0.236	58%	0.577	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	83.7	-170.8	-46.3	100.8	0	0	0	111.8	F161 G162 S163 D164 L167	H152-F161 HydrophobicContact CB-CB 4.33Å; H152-F161 WeakPolarHBondContact CB-O 3.46Å; H152-F161 PolarHBondContact O-N 3.08Å; H152-G162 PolarHBondContact CE1-O 2.93Å; H152-G162 PolarHBondContact ND1-O 3.05Å; H152-S163 WeakPolarHBondContact ND1-CA 3.47Å; H152-D164 PolarHBondContact CD2-N 3.07Å; H152-D164 IonicContact CD2-OD1 2.66Å; H152-D164 PolarHBondContact ND1-N 3.46Å; H152-L167 HydrophobicContact CB-CB 4.01Å; H152-L167 HydrophobicContact CB-CD2 3.9Å
153	K	79.9	Confident	65.7	Low	122 Å²	122	100.8 Å²	100.8	53%	0.53	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	131.3	-179.9	-55	-174.8	-167.8	-69.4	0	111.6	F150 K151 R155 V160	F150-K153 VanDerWaalsContact O-CE 3.29Å; F150-K153 WeakPolarHBondContact O-CE 3.21Å; F150-K153 PolarHBondContact O-NZ 2.94Å; K151-K153 PolarHBondContact O-N 2.99Å; K153-R155 PolarHBondContact O-N 3.15Å; K153-V160 HydrophobicContact CG-CG1 4.13Å; K153-V160 HydrophobicContact CG-CG2 4.15Å
154	C	83.7	Confident	67.9	Low	3 Å²	3	100.8 Å²	100.8	2%	0.02	54%	0.54	C	S	.	.			trans	-75.8	114	179.2	-178.7	0	0	0	0	112.2	F156 C157 A158 K159 F161 L167 H170 H174	C154-F156 PolarHBondContact O-N 3.42Å; C154-F156 VanDerWaalsContact O-N 3.12Å; C154-C157 PolarHBondContact O-N 2.95Å; C154-A158 VanDerWaalsContact O-CA 3.27Å; C154-A158 WeakPolarHBondContact O-CA 3.29Å; C154-A158 PolarHBondContact O-N 2.81Å; C154-K159 HydrophobicContact CB-CB 4.43Å; C154-K159 WeakPolarHBondContact CB-O 3.46Å; C154-K159 PolarHBondContact N-O 3.43Å; C154-F161 HydrophobicContact CB-CE2 4.12Å; C154-L167 HydrophobicContact CB-CD1 3.67Å; C154-H170 PolarHBondContact SG-CD2 3.44Å; C154-H170 PolarHBondContact SG-NE2 3.31Å; C154-H170 VanDerWaalsContact SG-NE2 3.39Å; C154-H174 PolarHBondContact SG-NE2 3.47Å; C154-H174 VanDerWaalsContact SG-NE2 3.39Å
155	R	77	Confident	70.1	Confident	232 Å²	232	99.7 Å²	99.7	88%	0.875	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.5	-177.2	-164.4	157.5	67.4	137	-2.3	114.6	K153	K153-R155 PolarHBondContact O-N 3.15Å
156	F	71.3	Confident	71.7	Confident	136 Å²	136	96.3 Å²	96.3	60%	0.596	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-20.5	-179.2	-62	-71	0	0	0	115.1	C154 L171 H174	C154-F156 PolarHBondContact O-N 3.42Å; C154-F156 VanDerWaalsContact O-N 3.12Å; F156-L171 HydrophobicContact CD2-CD2 3.73Å; F156-L171 HydrophobicContact CE2-CD2 3.96Å; F156-H174 HydrophobicContact CB-CB 4.36Å; F156-H174 HydrophobicContact CD2-CB 3.94Å; F156-H174 HydrophobicContact CG-CB 4.23Å
157	C	79.4	Confident	73.8	Confident	57 Å²	57	89 Å²	89	39%	0.385	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.5	18.7	179.7	71.6	0	0	0	0	115.3	C154 K159 H170 H174	C154-C157 PolarHBondContact O-N 2.95Å; C157-K159 PolarHBondContact O-N 3.37Å; C157-H170 PolarHBondContact SG-NE2 3.14Å; C157-H174 VanDerWaalsContact SG-CE1 3.59Å; C157-H174 PolarHBondContact SG-NE2 2.95Å
158	A	79.8	Confident	75.6	Confident	79 Å²	79	88.2 Å²	88.2	65%	0.653	46%	0.463	S	S	*	.			trans	57.2	1	178.1	0	0	0	0	0	117	C154 V160	C154-A158 VanDerWaalsContact O-CA 3.27Å; C154-A158 WeakPolarHBondContact O-CA 3.29Å; C154-A158 PolarHBondContact O-N 2.81Å; A158-V160 PolarHBondContact O-N 2.96Å
159	K	78.7	Confident	76.5	Confident	110 Å²	110	87.3 Å²	87.3	48%	0.478	45%	0.452	S	S	.	.			trans	-59	131.9	176.5	-74.6	-172.4	176.8	-172.4	0	111.2	C154 C157 F161	C154-K159 HydrophobicContact CB-CB 4.43Å; C154-K159 WeakPolarHBondContact CB-O 3.46Å; C154-K159 PolarHBondContact N-O 3.43Å; C157-K159 PolarHBondContact O-N 3.37Å; K159-F161 HydrophobicContact CB-CE2 3.61Å; K159-F161 HydrophobicContact CB-CZ 3.87Å; K159-F161 HydrophobicContact CD-CZ 4.46Å; K159-F161 WeakPolarHBondContact O-CD2 3.32Å; K159-F161 WeakPolarHBondContact O-CE2 3.45Å
160	V	83.5	Confident	77.8	Confident	63 Å²	63	80.7 Å²	80.7	38%	0.382	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.3	-179.4	-165.6	0	0	0	0	109.8	F150 K153 A158	F150-V160 HydrophobicContact CB-CG1 3.82Å; F150-V160 HydrophobicContact CD1-CB 4.42Å; F150-V160 HydrophobicContact CD1-CG1 3.48Å; F150-V160 VanDerWaalsContact CD1-CG1 3.48Å; F150-V160 HydrophobicContact CE1-CG1 4.4Å; F150-V160 HydrophobicContact CG-CG1 4Å; K153-V160 HydrophobicContact CG-CG1 4.13Å; K153-V160 HydrophobicContact CG-CG2 4.15Å; A158-V160 PolarHBondContact O-N 2.96Å
161	F	84.4	Confident	78.7	Confident	45 Å²	45	77.1 Å²	77.1	20%	0.197	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.9	179.7	-62.2	-89.2	0	0	0	110	H152 C154 K159 A166 L167 H170	H152-F161 HydrophobicContact CB-CB 4.33Å; H152-F161 WeakPolarHBondContact CB-O 3.46Å; H152-F161 PolarHBondContact O-N 3.08Å; C154-F161 HydrophobicContact CB-CE2 4.12Å; K159-F161 HydrophobicContact CB-CE2 3.61Å; K159-F161 HydrophobicContact CB-CZ 3.87Å; K159-F161 HydrophobicContact CD-CZ 4.46Å; K159-F161 WeakPolarHBondContact O-CD2 3.32Å; K159-F161 WeakPolarHBondContact O-CE2 3.45Å; F161-A166 HydrophobicContact CB-CB 4.13Å; F161-A166 HydrophobicContact CD1-CB 3.94Å; F161-A166 HydrophobicContact CG-CB 4.37Å; F161-L167 HydrophobicContact CB-CB 4.23Å; F161-L167 HydrophobicContact CD2-CB 4.13Å; F161-L167 HydrophobicContact CD2-CD1 4.04Å; F161-L167 HydrophobicContact CE2-CD1 4.36Å; F161-L167 HydrophobicContact CG-CB 4.31Å; F161-H170 HydrophobicContact CE1-CB 3.93Å; F161-H170 HydrophobicContact CE2-CB 3.99Å; F161-H170 AromaticContact CE2-CD2 3.24Å; F161-H170 WeakPolarHBondContact CE2-CD2 3.22Å; F161-H170 AromaticContact CE2-CG 3.73Å; F161-H170 HydrophobicContact CZ-CB 3.52Å; F161-H170 AromaticContact CZ-CD2 3.27Å; F161-H170 WeakPolarHBondContact CZ-CD2 3.49Å; F161-H170 AromaticContact CZ-CG 3.29Å; F161-H170 AromaticContact CZ-NE2 3.99Å
162	G	84.2	Confident	79.1	Confident	69 Å²	69	73.4 Å²	73.4	71%	0.711	39%	0.391	S	S	*	.	S	Bend	trans	-68.1	-36.1	176.4	0	0	0	0	0	112.7	H152	H152-G162 PolarHBondContact CE1-O 2.93Å; H152-G162 PolarHBondContact ND1-O 3.05Å
163	S	85.3	Confident	78.7	Confident	47 Å²	47	74 Å²	74	33%	0.329	40%	0.401	S	S	.	.	S	Bend	trans	-124.3	151.7	-178.2	67.5	0	0	0	0	113	H152 S165 A166 L167	H152-S163 WeakPolarHBondContact ND1-CA 3.47Å; S163-S165 VanDerWaalsContact C-N 3.26Å; S163-S165 PolarHBondContact O-N 3.25Å; S163-S165 PolarHBondContact OG-OG 3.5Å; S163-A166 PolarHBondContact O-N 3.17Å; S163-A166 WeakPolarHBondContact OG-CB 3.26Å; S163-A166 PolarHBondContact OG-N 3.2Å; S163-L167 PolarHBondContact O-N 3.49Å; S163-L167 VanDerWaalsContact O-N 3.08Å
164	D	79.1	Confident	77.9	Confident	89 Å²	89	71.7 Å²	71.7	48%	0.476	39%	0.392	S	S	.	.	H	α-helix	trans	-61	-36.7	172.3	-170.6	63.3	0	0	0	111.7	H152 A166 L167 Q168	H152-D164 PolarHBondContact CD2-N 3.07Å; H152-D164 IonicContact CD2-OD1 2.66Å; H152-D164 PolarHBondContact ND1-N 3.46Å; D164-A166 VanDerWaalsContact C-N 3.27Å; D164-A166 PolarHBondContact O-N 3.5Å; D164-L167 CarbonylContact O-C 3.56Å; D164-L167 WeakPolarHBondContact O-CA 3.25Å; D164-L167 WeakPolarHBondContact O-CB 3.31Å; D164-L167 PolarHBondContact O-N 3.39Å; D164-L167 VanDerWaalsContact O-N 3.11Å; D164-Q168 WeakPolarHBondContact O-CB 3.35Å; D164-Q168 PolarHBondContact O-N 3.14Å
165	S	77.2	Confident	77.1	Confident	76 Å²	76	75.2 Å²	75.2	53%	0.531	41%	0.413	S	S	.	.	H	α-helix	trans	-57.3	-38	175	57.1	0	0	0	0	113.1	S163 I169	S163-S165 VanDerWaalsContact C-N 3.26Å; S163-S165 PolarHBondContact O-N 3.25Å; S163-S165 PolarHBondContact OG-OG 3.5Å; S165-I169 WeakPolarHBondContact O-CB 3.38Å; S165-I169 WeakPolarHBondContact O-CD1 3.46Å; S165-I169 WeakPolarHBondContact O-CG1 3.11Å; S165-I169 PolarHBondContact O-N 3.13Å
166	A	78.8	Confident	76.5	Confident	34 Å²	34	66.5 Å²	66.5	28%	0.281	40%	0.396	S	S	.	.	H	α-helix	trans	-74.8	-38.7	175.6	0	0	0	0	0	111.9	F161 S163 D164 H170	F161-A166 HydrophobicContact CB-CB 4.13Å; F161-A166 HydrophobicContact CD1-CB 3.94Å; F161-A166 HydrophobicContact CG-CB 4.37Å; S163-A166 PolarHBondContact O-N 3.17Å; S163-A166 WeakPolarHBondContact OG-CB 3.26Å; S163-A166 PolarHBondContact OG-N 3.2Å; D164-A166 VanDerWaalsContact C-N 3.27Å; D164-A166 PolarHBondContact O-N 3.5Å; A166-H170 WeakPolarHBondContact O-CB 3.28Å; A166-H170 PolarHBondContact O-N 2.73Å
167	L	84	Confident	76	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.084	39%	0.394	C	S	.	.	H	α-helix	trans	-59.4	-47	170.6	171.1	59.3	0	0	0	111.2	H152 C154 F161 S163 D164 H170 L171	H152-L167 HydrophobicContact CB-CB 4.01Å; H152-L167 HydrophobicContact CB-CD2 3.9Å; C154-L167 HydrophobicContact CB-CD1 3.67Å; F161-L167 HydrophobicContact CB-CB 4.23Å; F161-L167 HydrophobicContact CD2-CB 4.13Å; F161-L167 HydrophobicContact CD2-CD1 4.04Å; F161-L167 HydrophobicContact CE2-CD1 4.36Å; F161-L167 HydrophobicContact CG-CB 4.31Å; S163-L167 PolarHBondContact O-N 3.49Å; S163-L167 VanDerWaalsContact O-N 3.08Å; D164-L167 CarbonylContact O-C 3.56Å; D164-L167 WeakPolarHBondContact O-CA 3.25Å; D164-L167 WeakPolarHBondContact O-CB 3.31Å; D164-L167 PolarHBondContact O-N 3.39Å; D164-L167 VanDerWaalsContact O-N 3.11Å; L167-H170 CarbonylContact O-C 3.29Å; L167-H170 WeakPolarHBondContact O-CA 3.43Å; L167-H170 WeakPolarHBondContact O-CB 3.46Å; L167-H170 PolarHBondContact O-N 2.83Å; L167-L171 HydrophobicContact CD1-CD1 4.11Å; L167-L171 HydrophobicContact CD1-CD2 4.31Å; L167-L171 HydrophobicContact CD1-CG 3.93Å; L167-L171 HydrophobicContact CG-CD1 3.97Å; L167-L171 HydrophobicContact CG-CG 4.26Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.94Å
168	Q	77.8	Confident	75.6	Confident	88 Å²	88	69.6 Å²	69.6	41%	0.411	40%	0.4	S	S	.	.	H	α-helix	trans	-69.7	-34.3	-177.9	-171.7	67.4	-37.8	0	0	112.5	D164 H170 L171 R172	D164-Q168 WeakPolarHBondContact O-CB 3.35Å; D164-Q168 PolarHBondContact O-N 3.14Å; Q168-H170 VanDerWaalsContact C-N 3.26Å; Q168-H170 PolarHBondContact O-N 3.29Å; Q168-L171 PolarHBondContact O-N 2.91Å; Q168-R172 WeakPolarHBondContact O-CG 3.41Å; Q168-R172 PolarHBondContact O-N 3.29Å
169	I	73.5	Confident	75.3	Confident	83 Å²	83	69.9 Å²	69.9	43%	0.426	40%	0.396	S	S	.	.	H	α-helix	trans	-62.9	-35.6	166.9	-72.6	165.9	0	0	0	111.1	S165 T191	S165-I169 WeakPolarHBondContact O-CB 3.38Å; S165-I169 WeakPolarHBondContact O-CD1 3.46Å; S165-I169 WeakPolarHBondContact O-CG1 3.11Å; S165-I169 PolarHBondContact O-N 3.13Å; I169-T191 HydrophobicContact CG1-CG2 4.19Å; I169-T191 HydrophobicContact CG2-CG2 3.77Å
170	H	78.8	Confident	75.2	Confident	20 Å²	20	67.5 Å²	67.5	9%	0.093	39%	0.385	C	S	.	.	H	α-helix	trans	-77.8	-31.2	176.1	176.1	55.8	0	0	0	113.7	C154 C157 F161 A166 L167 Q168 R172 S173 H174	C154-H170 PolarHBondContact SG-CD2 3.44Å; C154-H170 PolarHBondContact SG-NE2 3.31Å; C154-H170 VanDerWaalsContact SG-NE2 3.39Å; C157-H170 PolarHBondContact SG-NE2 3.14Å; F161-H170 HydrophobicContact CE1-CB 3.93Å; F161-H170 HydrophobicContact CE2-CB 3.99Å; F161-H170 AromaticContact CE2-CD2 3.24Å; F161-H170 WeakPolarHBondContact CE2-CD2 3.22Å; F161-H170 AromaticContact CE2-CG 3.73Å; F161-H170 HydrophobicContact CZ-CB 3.52Å; F161-H170 AromaticContact CZ-CD2 3.27Å; F161-H170 WeakPolarHBondContact CZ-CD2 3.49Å; F161-H170 AromaticContact CZ-CG 3.29Å; F161-H170 AromaticContact CZ-NE2 3.99Å; A166-H170 WeakPolarHBondContact O-CB 3.28Å; A166-H170 PolarHBondContact O-N 2.73Å; L167-H170 CarbonylContact O-C 3.29Å; L167-H170 WeakPolarHBondContact O-CA 3.43Å; L167-H170 WeakPolarHBondContact O-CB 3.46Å; L167-H170 PolarHBondContact O-N 2.83Å; Q168-H170 VanDerWaalsContact C-N 3.26Å; Q168-H170 PolarHBondContact O-N 3.29Å; H170-R172 VanDerWaalsContact C-N 3.27Å; H170-R172 PolarHBondContact O-N 3.48Å; H170-S173 PolarHBondContact CE1-OG 3.42Å; H170-S173 PolarHBondContact ND1-OG 3.28Å; H170-S173 WeakPolarHBondContact O-CA 3.4Å; H170-S173 WeakPolarHBondContact O-CB 3.39Å; H170-S173 PolarHBondContact O-N 3.07Å; H170-S173 PolarHBondContact O-OG 3.27Å; H170-H174 AromaticContact CD2-NE2 3.85Å; H170-H174 AromaticContact CE1-CD2 3.94Å; H170-H174 AromaticContact CE1-NE2 3.2Å; H170-H174 PolarHBondContact CE1-NE2 2.86Å; H170-H174 AromaticContact NE2-CD2 3.76Å; H170-H174 AromaticContact NE2-NE2 2.98Å; H170-H174 PolarHBondContact NE2-NE2 3.45Å; H170-H174 PolarHBondContact O-CD2 3.34Å
171	L	74.2	Confident	74.6	Confident	38 Å²	38	67.2 Å²	67.2	20%	0.199	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-33.3	174.3	-72.1	171.7	0	0	0	111.5	F156 L167 Q168 S173 H174 T175	F156-L171 HydrophobicContact CD2-CD2 3.73Å; F156-L171 HydrophobicContact CE2-CD2 3.96Å; L167-L171 HydrophobicContact CD1-CD1 4.11Å; L167-L171 HydrophobicContact CD1-CD2 4.31Å; L167-L171 HydrophobicContact CD1-CG 3.93Å; L167-L171 HydrophobicContact CG-CD1 3.97Å; L167-L171 HydrophobicContact CG-CG 4.26Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.94Å; Q168-L171 PolarHBondContact O-N 2.91Å; L171-S173 PolarHBondContact O-N 3.41Å; L171-S173 VanDerWaalsContact O-N 3.12Å; L171-H174 WeakPolarHBondContact O-CA 3.31Å; L171-H174 PolarHBondContact O-N 2.96Å; L171-T175 PolarHBondContact O-N 3.29Å
172	R	74.3	Confident	74.6	Confident	83 Å²	83	65.1 Å²	65.1	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-13.8	167.5	-64.2	175.2	-174.7	112.7	-3	114.6	Q168 H170 G176 S190	Q168-R172 WeakPolarHBondContact O-CG 3.41Å; Q168-R172 PolarHBondContact O-N 3.29Å; H170-R172 VanDerWaalsContact C-N 3.27Å; H170-R172 PolarHBondContact O-N 3.48Å; R172-G176 PolarHBondContact O-N 3.07Å; R172-S190 WeakPolarHBondContact CD-O 3.49Å
173	S	68.8	Low	73.7	Confident	65 Å²	65	66 Å²	66	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-86.6	-10.2	169.4	72.9	0	0	0	0	113.9	H170 L171	H170-S173 PolarHBondContact CE1-OG 3.42Å; H170-S173 PolarHBondContact ND1-OG 3.28Å; H170-S173 WeakPolarHBondContact O-CA 3.4Å; H170-S173 WeakPolarHBondContact O-CB 3.39Å; H170-S173 PolarHBondContact O-N 3.07Å; H170-S173 PolarHBondContact O-OG 3.27Å; L171-S173 PolarHBondContact O-N 3.41Å; L171-S173 VanDerWaalsContact O-N 3.12Å
174	H	62.9	Low	72.9	Confident	73 Å²	73	66.7 Å²	66.7	34%	0.338	36%	0.358	S	S	.	.	H	α-helix	trans	-100.6	-38.1	171.9	-63.3	-75.6	0	0	0	112.4	C154 F156 C157 H170 L171 G176	C154-H174 PolarHBondContact SG-NE2 3.47Å; C154-H174 VanDerWaalsContact SG-NE2 3.39Å; F156-H174 HydrophobicContact CB-CB 4.36Å; F156-H174 HydrophobicContact CD2-CB 3.94Å; F156-H174 HydrophobicContact CG-CB 4.23Å; C157-H174 VanDerWaalsContact SG-CE1 3.59Å; C157-H174 PolarHBondContact SG-NE2 2.95Å; H170-H174 AromaticContact CD2-NE2 3.85Å; H170-H174 AromaticContact CE1-CD2 3.94Å; H170-H174 AromaticContact CE1-NE2 3.2Å; H170-H174 PolarHBondContact CE1-NE2 2.86Å; H170-H174 AromaticContact NE2-CD2 3.76Å; H170-H174 AromaticContact NE2-NE2 2.98Å; H170-H174 PolarHBondContact NE2-NE2 3.45Å; H170-H174 PolarHBondContact O-CD2 3.34Å; L171-H174 WeakPolarHBondContact O-CA 3.31Å; L171-H174 PolarHBondContact O-N 2.96Å; H174-G176 VanDerWaalsContact C-N 3.3Å
175	T	66.5	Low	72.6	Confident	76 Å²	76	64.3 Å²	64.3	47%	0.466	35%	0.348	S	S	.	.	H	α-helix	trans	-74.5	-20.3	174.1	66.1	0	0	0	0	113	L171 E177	L171-T175 PolarHBondContact O-N 3.29Å; T175-E177 WeakPolarHBondContact CB-OE2 3.3Å; T175-E177 PolarHBondContact O-N 2.91Å; T175-E177 VanDerWaalsContact O-N 3.15Å; T175-E177 PolarHBondContact OG1-OE2 2.83Å
176	G	64.9	Low	72.4	Confident	49 Å²	49	63.5 Å²	63.5	51%	0.505	35%	0.351	S	S	.	.			trans	74.6	-6.4	-179.3	0	0	0	0	0	114.6	R172 H174	R172-G176 PolarHBondContact O-N 3.07Å; H174-G176 VanDerWaalsContact C-N 3.3Å
177	E	60.6	Low	72.1	Confident	119 Å²	119	65.7 Å²	65.7	56%	0.556	36%	0.358	S	S	*	.			trans	-61.2	133	-178.8	-66	162.4	152.6	0	0	111.8	T175	T175-E177 WeakPolarHBondContact CB-OE2 3.3Å; T175-E177 PolarHBondContact O-N 2.91Å; T175-E177 VanDerWaalsContact O-N 3.15Å; T175-E177 PolarHBondContact OG1-OE2 2.83Å
178	R	71.1	Confident	71.7	Confident	139 Å²	139	71.1 Å²	71.1	53%	0.525	38%	0.378	S	S	.	.			trans	-134.5	80.5	-177.1	-72.7	169.5	168	-133.3	8.9	110	F180 R188 F189	R178-F180 PolarHBondContact O-N 3.26Å; R178-R188 HydrophobicContact CB-CB 3.64Å; R178-R188 WeakPolarHBondContact CD-O 3.36Å; R178-R188 PolarHBondContact NH1-O 2.9Å; R178-F189 CarbonylContact C-O 3.55Å; R178-F189 VanDerWaalsContact C-O 3.29Å; R178-F189 VanDerWaalsContact CA-O 3.28Å; R178-F189 WeakPolarHBondContact CA-O 3.35Å; R178-F189 WeakPolarHBondContact CB-O 3.35Å
179	P	73.4	Confident	71.6	Confident	86 Å²	86	68.6 Å²	68.6	56%	0.558	37%	0.366	S	S	*	.			trans	-63.8	-22.9	-174.3	-23.8	35.1	0	0	0	114.3	K181	P179-K181 PolarHBondContact O-N 3.04Å
180	F	76.7	Confident	71.6	Confident	59 Å²	59	66.1 Å²	66.1	26%	0.259	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	92.4	-168.8	-61	-76	0	0	0	111.1	R178 R188 F189 T191 K192 L195	R178-F180 PolarHBondContact O-N 3.26Å; F180-R188 CarbonylContact O-C 3.58Å; F180-R188 WeakPolarHBondContact O-CA 3.27Å; F180-F189 HydrophobicContact CB-CB 4.24Å; F180-F189 WeakPolarHBondContact CB-O 3.27Å; F180-F189 PolarHBondContact N-O 3.4Å; F180-F189 PolarHBondContact O-N 2.86Å; F180-T191 VanDerWaalsContact CD2-C 3.43Å; F180-K192 HydrophobicContact CD1-CB 4.13Å; F180-K192 HydrophobicContact CD1-CG 4.45Å; F180-K192 HydrophobicContact CE1-CB 3.74Å; F180-K192 HydrophobicContact CE1-CD 4.48Å; F180-K192 HydrophobicContact CE1-CG 4.17Å; F180-K192 HydrophobicContact CE2-CB 4.48Å; F180-K192 HydrophobicContact CZ-CB 3.94Å; F180-L195 HydrophobicContact CB-CB 4.08Å; F180-L195 HydrophobicContact CB-CD2 3.71Å
181	K	71.3	Confident	71.5	Confident	57 Å²	57	66.3 Å²	66.3	25%	0.248	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.2	174.9	65.4	179.6	178.8	179.8	0	112.5	P179 R188 L195 D221	P179-K181 PolarHBondContact O-N 3.04Å; K181-R188 HydrophobicContact CB-CG 4.3Å; K181-L195 WeakPolarHBondContact O-CD2 3.37Å; K181-D221 IonicContact NZ-OD1 2.81Å; K181-D221 PolarHBondContact NZ-OD1 3.11Å; K181-D221 IonicContact NZ-OD2 2.67Å; K181-D221 PolarHBondContact NZ-OD2 3.32Å
182	C	82.6	Confident	71.6	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.014	38%	0.378	C	S	.	.			trans	-88.1	107.8	172.2	167.7	0	0	0	0	110.5	I184 C185 G186 N187 F189 L195	C182-I184 PolarHBondContact O-N 3.43Å; C182-C185 HydrophobicContact CB-CB 4.38Å; C182-C185 WeakPolarHBondContact CB-SG 3.37Å; C182-C185 PolarHBondContact O-N 2.95Å; C182-C185 VanDerWaalsContact O-N 3.07Å; C182-C185 WeakPolarHBondContact SG-CB 3.39Å; C182-C185 PolarHBondContact SG-N 3.07Å; C182-C185 CovalentContact SG-SG 2.04Å; C182-C185 PolarHBondContact SG-SG 3.15Å; C182-G186 PolarHBondContact O-N 3.37Å; C182-N187 HydrophobicContact CB-CB 4.28Å; C182-N187 VanDerWaalsContact CB-O 3.23Å; C182-N187 WeakPolarHBondContact CB-O 3.41Å; C182-N187 PolarHBondContact N-O 3.26Å; C182-F189 HydrophobicContact CB-CE2 4.1Å; C182-L195 HydrophobicContact CB-CD1 3.8Å
183	N	66.8	Low	71.8	Confident	88 Å²	88	69.5 Å²	69.5	47%	0.471	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.4	-176.3	-60.6	-5.1	0	0	0	113.2	C185	N183-C185 VanDerWaalsContact C-N 3.33Å; N183-C185 PolarHBondContact O-N 3.4Å
184	I	68.6	Low	72.2	Confident	60 Å²	60	70.5 Å²	70.5	31%	0.308	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-16	179	-53.8	171.4	0	0	0	112.1	C182 F199 H202 M211	C182-I184 PolarHBondContact O-N 3.43Å; I184-F199 HydrophobicContact CD1-CD1 4.11Å; I184-F199 HydrophobicContact CD1-CE1 4.24Å; I184-F199 HydrophobicContact CG1-CE1 4.31Å; I184-H202 HydrophobicContact CD1-CB 3.99Å; I184-H202 WeakPolarHBondContact CG2-ND1 3.37Å; I184-M211 HydrophobicContact CD1-CG 4.4Å; I184-M211 HydrophobicContact CD1-SD 4.39Å; I184-M211 HydrophobicContact CG1-SD 4.14Å
185	C	72.9	Confident	73.1	Confident	40 Å²	40	67.7 Å²	67.7	27%	0.27	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.3	4	-160.7	75.6	0	0	0	0	117.4	C182 N183 N187 H198	C182-C185 HydrophobicContact CB-CB 4.38Å; C182-C185 WeakPolarHBondContact CB-SG 3.37Å; C182-C185 PolarHBondContact O-N 2.95Å; C182-C185 VanDerWaalsContact O-N 3.07Å; C182-C185 WeakPolarHBondContact SG-CB 3.39Å; C182-C185 PolarHBondContact SG-N 3.07Å; C182-C185 CovalentContact SG-SG 2.04Å; C182-C185 PolarHBondContact SG-SG 3.15Å; N183-C185 VanDerWaalsContact C-N 3.33Å; N183-C185 PolarHBondContact O-N 3.4Å; C185-N187 PolarHBondContact O-N 2.87Å; C185-N187 PolarHBondContact SG-ND2 3.12Å; C185-H198 VanDerWaalsContact SG-CD2 3.53Å; C185-H198 PolarHBondContact SG-NE2 3.43Å
186	G	73	Confident	73.7	Confident	58 Å²	58	71.9 Å²	71.9	60%	0.598	38%	0.384	S	S	*	.			trans	67.1	-17.3	179.1	0	0	0	0	0	116.3	C182 R188	C182-G186 PolarHBondContact O-N 3.37Å; G186-R188 PolarHBondContact O-N 3.45Å
187	N	71.3	Confident	74.4	Confident	81 Å²	81	74.7 Å²	74.7	43%	0.433	39%	0.392	S	S	.	.			trans	-59.5	123.7	-177.5	-70.2	-55.3	0	0	0	111.3	C182 C185 F189 H198	C182-N187 HydrophobicContact CB-CB 4.28Å; C182-N187 VanDerWaalsContact CB-O 3.23Å; C182-N187 WeakPolarHBondContact CB-O 3.41Å; C182-N187 PolarHBondContact N-O 3.26Å; C185-N187 PolarHBondContact O-N 2.87Å; C185-N187 PolarHBondContact SG-ND2 3.12Å; N187-F189 HydrophobicContact CB-CE2 3.52Å; N187-F189 HydrophobicContact CB-CZ 3.64Å; N187-F189 WeakPolarHBondContact O-CD2 3.37Å; N187-F189 WeakPolarHBondContact O-CE2 3.5Å; N187-H198 PolarHBondContact ND2-NE2 3.23Å
188	R	74.9	Confident	75.4	Confident	130 Å²	130	70 Å²	70	49%	0.491	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	138.7	173.7	-59.4	-169.9	-179.4	-133.5	3.9	111.1	R178 F180 K181 G186	R178-R188 HydrophobicContact CB-CB 3.64Å; R178-R188 WeakPolarHBondContact CD-O 3.36Å; R178-R188 PolarHBondContact NH1-O 2.9Å; F180-R188 CarbonylContact O-C 3.58Å; F180-R188 WeakPolarHBondContact O-CA 3.27Å; K181-R188 HydrophobicContact CB-CG 4.3Å; G186-R188 PolarHBondContact O-N 3.45Å
189	F	77.6	Confident	75.5	Confident	35 Å²	35	66.2 Å²	66.2	15%	0.154	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.6	-178.2	-61.4	-89.1	0	0	0	112.2	R178 F180 C182 N187 N194 L195 H198	R178-F189 CarbonylContact C-O 3.55Å; R178-F189 VanDerWaalsContact C-O 3.29Å; R178-F189 VanDerWaalsContact CA-O 3.28Å; R178-F189 WeakPolarHBondContact CA-O 3.35Å; R178-F189 WeakPolarHBondContact CB-O 3.35Å; F180-F189 HydrophobicContact CB-CB 4.24Å; F180-F189 WeakPolarHBondContact CB-O 3.27Å; F180-F189 PolarHBondContact N-O 3.4Å; F180-F189 PolarHBondContact O-N 2.86Å; C182-F189 HydrophobicContact CB-CE2 4.1Å; N187-F189 HydrophobicContact CB-CE2 3.52Å; N187-F189 HydrophobicContact CB-CZ 3.64Å; N187-F189 WeakPolarHBondContact O-CD2 3.37Å; N187-F189 WeakPolarHBondContact O-CE2 3.5Å; F189-N194 HydrophobicContact CB-CB 4.35Å; F189-N194 HydrophobicContact CD1-CB 4.07Å; F189-L195 HydrophobicContact CB-CB 4.23Å; F189-L195 HydrophobicContact CD2-CB 4.03Å; F189-L195 HydrophobicContact CD2-CD1 3.71Å; F189-L195 HydrophobicContact CD2-CG 4.41Å; F189-L195 HydrophobicContact CE2-CD1 3.91Å; F189-L195 HydrophobicContact CG-CB 4.25Å; F189-H198 HydrophobicContact CE1-CB 4.17Å; F189-H198 AromaticContact CE1-ND1 3.94Å; F189-H198 HydrophobicContact CE2-CB 4.11Å; F189-H198 AromaticContact CE2-CD2 3.76Å; F189-H198 AromaticContact CE2-CG 3.84Å; F189-H198 HydrophobicContact CZ-CB 3.74Å; F189-H198 AromaticContact CZ-CD2 3.56Å; F189-H198 AromaticContact CZ-CE1 3.62Å; F189-H198 AromaticContact CZ-CG 3.31Å; F189-H198 AromaticContact CZ-ND1 3.38Å; F189-H198 WeakPolarHBondContact CZ-ND1 3.4Å; F189-H198 AromaticContact CZ-NE2 3.74Å
190	S	73.4	Confident	75.7	Confident	31 Å²	31	66.8 Å²	66.8	22%	0.217	35%	0.352	C	S	.	.	S	Bend	trans	-83.2	-11.7	179.3	51.9	0	0	0	0	114.2	R172	R172-S190 WeakPolarHBondContact CD-O 3.49Å
191	T	75.1	Confident	75.7	Confident	23 Å²	23	70.6 Å²	70.6	14%	0.141	37%	0.365	C	S	.	.	S	Bend	trans	-143.2	146.9	178.3	69.8	0	0	0	0	112.5	I169 F180 G193 N194 L195	I169-T191 HydrophobicContact CG1-CG2 4.19Å; I169-T191 HydrophobicContact CG2-CG2 3.77Å; F180-T191 VanDerWaalsContact CD2-C 3.43Å; T191-G193 VanDerWaalsContact C-N 3.25Å; T191-G193 PolarHBondContact O-N 3.37Å; T191-N194 PolarHBondContact O-N 2.78Å; T191-N194 WeakPolarHBondContact OG1-CB 3.47Å; T191-N194 VanDerWaalsContact OG1-CG 3.24Å; T191-N194 PolarHBondContact OG1-N 3.22Å; T191-N194 PolarHBondContact OG1-ND2 3.33Å; T191-N194 VanDerWaalsContact OG1-ND2 3.13Å; T191-L195 PolarHBondContact O-N 3.41Å; T191-L195 VanDerWaalsContact O-N 3.15Å
192	K	76.2	Confident	75.7	Confident	144 Å²	144	69.4 Å²	69.4	63%	0.626	36%	0.36	S	S	*	.	H	α-helix	trans	-57.7	-36.4	174.9	-166.5	172.6	-176.8	175.1	0	112.1	F180 L195 K196	F180-K192 HydrophobicContact CD1-CB 4.13Å; F180-K192 HydrophobicContact CD1-CG 4.45Å; F180-K192 HydrophobicContact CE1-CB 3.74Å; F180-K192 HydrophobicContact CE1-CD 4.48Å; F180-K192 HydrophobicContact CE1-CG 4.17Å; F180-K192 HydrophobicContact CE2-CB 4.48Å; F180-K192 HydrophobicContact CZ-CB 3.94Å; K192-L195 PolarHBondContact O-N 2.9Å; K192-K196 WeakPolarHBondContact O-CB 3.29Å; K192-K196 PolarHBondContact O-N 3.22Å
193	G	79.1	Confident	74.8	Confident	44 Å²	44	75.7 Å²	75.7	45%	0.454	39%	0.387	S	S	.	.	H	α-helix	trans	-64.4	-44.9	176	0	0	0	0	0	113.5	T191 L195 K196 V197	T191-G193 VanDerWaalsContact C-N 3.25Å; T191-G193 PolarHBondContact O-N 3.37Å; G193-L195 VanDerWaalsContact C-N 3.33Å; G193-L195 PolarHBondContact O-N 3.37Å; G193-K196 PolarHBondContact O-N 3.16Å; G193-K196 VanDerWaalsContact O-N 3.15Å; G193-V197 PolarHBondContact O-N 3.3Å
194	N	78.1	Confident	74.6	Confident	86 Å²	86	77.6 Å²	77.6	46%	0.46	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-38.9	176.1	-75.5	-24	0	0	0	111.7	F189 T191 H198	F189-N194 HydrophobicContact CB-CB 4.35Å; F189-N194 HydrophobicContact CD1-CB 4.07Å; T191-N194 PolarHBondContact O-N 2.78Å; T191-N194 WeakPolarHBondContact OG1-CB 3.47Å; T191-N194 VanDerWaalsContact OG1-CG 3.24Å; T191-N194 PolarHBondContact OG1-N 3.22Å; T191-N194 PolarHBondContact OG1-ND2 3.33Å; T191-N194 VanDerWaalsContact OG1-ND2 3.13Å; N194-H198 WeakPolarHBondContact O-CB 3.42Å; N194-H198 PolarHBondContact O-N 3.35Å
195	L	81.3	Confident	73.9	Confident	15 Å²	15	82 Å²	82	8%	0.079	41%	0.41	C	S	.	.	H	α-helix	trans	-66.1	-39.6	172.2	178	58.8	0	0	0	111.9	F180 K181 C182 F189 T191 K192 G193 H198 F199	F180-L195 HydrophobicContact CB-CB 4.08Å; F180-L195 HydrophobicContact CB-CD2 3.71Å; K181-L195 WeakPolarHBondContact O-CD2 3.37Å; C182-L195 HydrophobicContact CB-CD1 3.8Å; F189-L195 HydrophobicContact CB-CB 4.23Å; F189-L195 HydrophobicContact CD2-CB 4.03Å; F189-L195 HydrophobicContact CD2-CD1 3.71Å; F189-L195 HydrophobicContact CD2-CG 4.41Å; F189-L195 HydrophobicContact CE2-CD1 3.91Å; F189-L195 HydrophobicContact CG-CB 4.25Å; T191-L195 PolarHBondContact O-N 3.41Å; T191-L195 VanDerWaalsContact O-N 3.15Å; K192-L195 PolarHBondContact O-N 2.9Å; G193-L195 VanDerWaalsContact C-N 3.33Å; G193-L195 PolarHBondContact O-N 3.37Å; L195-H198 CarbonylContact O-C 3.53Å; L195-H198 WeakPolarHBondContact O-CB 3.3Å; L195-H198 PolarHBondContact O-N 3.07Å; L195-F199 HydrophobicContact CD1-CD2 3.73Å; L195-F199 HydrophobicContact CD1-CE1 4.36Å; L195-F199 HydrophobicContact CD1-CE2 3.56Å; L195-F199 HydrophobicContact CD1-CG 4.22Å; L195-F199 HydrophobicContact CD1-CZ 3.89Å; L195-F199 HydrophobicContact CD2-CD2 4.27Å; L195-F199 HydrophobicContact CD2-CE2 3.62Å; L195-F199 HydrophobicContact CD2-CZ 4.26Å; L195-F199 HydrophobicContact CG-CD2 3.61Å; L195-F199 HydrophobicContact CG-CE2 3.45Å; L195-F199 VanDerWaalsContact CG-CE2 3.45Å; L195-F199 HydrophobicContact CG-CZ 4.24Å; L195-F199 WeakPolarHBondContact O-CB 3.38Å; L195-F199 PolarHBondContact O-N 3.5Å
196	K	78.8	Confident	72.9	Confident	163 Å²	163	86.2 Å²	86.2	71%	0.709	42%	0.421	S	S	*	.	H	α-helix	trans	-63.1	-43.9	177.3	-168.4	174.4	-177.9	179.3	0	112.3	K192 G193 H198 F199 Q200	K192-K196 WeakPolarHBondContact O-CB 3.29Å; K192-K196 PolarHBondContact O-N 3.22Å; G193-K196 PolarHBondContact O-N 3.16Å; G193-K196 VanDerWaalsContact O-N 3.15Å; K196-H198 VanDerWaalsContact C-N 3.3Å; K196-H198 PolarHBondContact O-N 3.26Å; K196-F199 PolarHBondContact O-N 3.07Å; K196-Q200 WeakPolarHBondContact O-CB 3.47Å; K196-Q200 PolarHBondContact O-N 3.24Å
197	V	80.4	Confident	71.8	Confident	109 Å²	109	87.8 Å²	87.8	66%	0.661	42%	0.421	S	S	*	.	H	α-helix	trans	-64.6	-35.6	173.4	174.9	0	0	0	0	111.3	G193 R201	G193-V197 PolarHBondContact O-N 3.3Å; V197-R201 PolarHBondContact O-N 3.24Å
198	H	80.2	Confident	70.8	Confident	20 Å²	20	92.6 Å²	92.6	9%	0.093	44%	0.441	C	S	.	.	H	α-helix	trans	-67.7	-44.4	174.9	-163.2	83	0	0	0	112.5	C185 N187 F189 N194 L195 K196 R201 H202	C185-H198 VanDerWaalsContact SG-CD2 3.53Å; C185-H198 PolarHBondContact SG-NE2 3.43Å; N187-H198 PolarHBondContact ND2-NE2 3.23Å; F189-H198 HydrophobicContact CE1-CB 4.17Å; F189-H198 AromaticContact CE1-ND1 3.94Å; F189-H198 HydrophobicContact CE2-CB 4.11Å; F189-H198 AromaticContact CE2-CD2 3.76Å; F189-H198 AromaticContact CE2-CG 3.84Å; F189-H198 HydrophobicContact CZ-CB 3.74Å; F189-H198 AromaticContact CZ-CD2 3.56Å; F189-H198 AromaticContact CZ-CE1 3.62Å; F189-H198 AromaticContact CZ-CG 3.31Å; F189-H198 AromaticContact CZ-ND1 3.38Å; F189-H198 WeakPolarHBondContact CZ-ND1 3.4Å; F189-H198 AromaticContact CZ-NE2 3.74Å; N194-H198 WeakPolarHBondContact O-CB 3.42Å; N194-H198 PolarHBondContact O-N 3.35Å; L195-H198 CarbonylContact O-C 3.53Å; L195-H198 WeakPolarHBondContact O-CB 3.3Å; L195-H198 PolarHBondContact O-N 3.07Å; K196-H198 VanDerWaalsContact C-N 3.3Å; K196-H198 PolarHBondContact O-N 3.26Å; H198-R201 PolarHBondContact CE1-NH2 3.21Å; H198-R201 PolarHBondContact ND1-NH2 3.08Å; H198-R201 PolarHBondContact O-N 3.15Å; H198-H202 AromaticContact CD2-CD2 3.8Å; H198-H202 AromaticContact NE2-CD2 3.88Å; H198-H202 AromaticContact NE2-NE2 3.62Å; H198-H202 PolarHBondContact O-CD2 3.34Å; H198-H202 PolarHBondContact O-N 2.86Å
199	F	74.4	Confident	69.7	Low	60 Å²	60	89.6 Å²	89.6	26%	0.263	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-39.8	175	-84.1	-46.8	0	0	0	112.2	I184 L195 K196 R201 H202 K203	I184-F199 HydrophobicContact CD1-CD1 4.11Å; I184-F199 HydrophobicContact CD1-CE1 4.24Å; I184-F199 HydrophobicContact CG1-CE1 4.31Å; L195-F199 HydrophobicContact CD1-CD2 3.73Å; L195-F199 HydrophobicContact CD1-CE1 4.36Å; L195-F199 HydrophobicContact CD1-CE2 3.56Å; L195-F199 HydrophobicContact CD1-CG 4.22Å; L195-F199 HydrophobicContact CD1-CZ 3.89Å; L195-F199 HydrophobicContact CD2-CD2 4.27Å; L195-F199 HydrophobicContact CD2-CE2 3.62Å; L195-F199 HydrophobicContact CD2-CZ 4.26Å; L195-F199 HydrophobicContact CG-CD2 3.61Å; L195-F199 HydrophobicContact CG-CE2 3.45Å; L195-F199 VanDerWaalsContact CG-CE2 3.45Å; L195-F199 HydrophobicContact CG-CZ 4.24Å; L195-F199 WeakPolarHBondContact O-CB 3.38Å; L195-F199 PolarHBondContact O-N 3.5Å; K196-F199 PolarHBondContact O-N 3.07Å; F199-R201 VanDerWaalsContact C-N 3.29Å; F199-R201 PolarHBondContact O-N 3.17Å; F199-H202 CarbonylContact O-C 3.34Å; F199-H202 WeakPolarHBondContact O-CA 3.22Å; F199-H202 WeakPolarHBondContact O-CB 3.38Å; F199-H202 PolarHBondContact O-N 2.93Å; F199-K203 PolarHBondContact O-N 2.91Å
200	Q	77.8	Confident	68.3	Low	97 Å²	97	96.7 Å²	96.7	45%	0.453	47%	0.467	S	S	.	.	H	α-helix	trans	-56.5	-45.7	176.2	-179.2	54.1	38.3	0	0	111.1	K196 H202 K203 E204	K196-Q200 WeakPolarHBondContact O-CB 3.47Å; K196-Q200 PolarHBondContact O-N 3.24Å; Q200-H202 PolarHBondContact O-N 3.27Å; Q200-K203 PolarHBondContact O-N 2.98Å; Q200-K203 VanDerWaalsContact O-N 3.13Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.48Å; Q200-E204 PolarHBondContact NE2-OE1 2.93Å; Q200-E204 WeakPolarHBondContact O-CG 3.45Å; Q200-E204 PolarHBondContact O-N 3.26Å
201	R	75.9	Confident	67	Low	140 Å²	140	98.2 Å²	98.2	53%	0.528	47%	0.472	S	S	.	.	H	α-helix	trans	-69.7	-9.9	174.1	-158.6	-170.1	65.5	-170.4	0.2	114.6	V197 H198 F199	V197-R201 PolarHBondContact O-N 3.24Å; H198-R201 PolarHBondContact CE1-NH2 3.21Å; H198-R201 PolarHBondContact ND1-NH2 3.08Å; H198-R201 PolarHBondContact O-N 3.15Å; F199-R201 VanDerWaalsContact C-N 3.29Å; F199-R201 PolarHBondContact O-N 3.17Å
202	H	70.5	Confident	65.5	Low	31 Å²	31	101.8 Å²	101.8	14%	0.144	49%	0.49	C	S	.	.	H	α-helix	trans	-91.6	-39	167.2	-89.8	-92.1	0	0	0	111.5	I184 H198 F199 Q200 E204 K205 Y206	I184-H202 HydrophobicContact CD1-CB 3.99Å; I184-H202 WeakPolarHBondContact CG2-ND1 3.37Å; H198-H202 AromaticContact CD2-CD2 3.8Å; H198-H202 AromaticContact NE2-CD2 3.88Å; H198-H202 AromaticContact NE2-NE2 3.62Å; H198-H202 PolarHBondContact O-CD2 3.34Å; H198-H202 PolarHBondContact O-N 2.86Å; F199-H202 CarbonylContact O-C 3.34Å; F199-H202 WeakPolarHBondContact O-CA 3.22Å; F199-H202 WeakPolarHBondContact O-CB 3.38Å; F199-H202 PolarHBondContact O-N 2.93Å; Q200-H202 PolarHBondContact O-N 3.27Å; H202-E204 VanDerWaalsContact C-N 3.29Å; H202-E204 PolarHBondContact O-N 2.97Å; H202-K205 CarbonylContact O-C 3.27Å; H202-K205 WeakPolarHBondContact O-CA 3.44Å; H202-K205 PolarHBondContact O-N 3.31Å; H202-Y206 PolarHBondContact O-N 2.81Å
203	K	65.1	Low	64	Low	134 Å²	134	99.8 Å²	99.8	58%	0.583	49%	0.492	S	S	*	.	H	α-helix	trans	-60.4	-38.9	174.5	-170.5	175	-178.8	178.1	0	111.7	F199 Q200 K205 Y206	F199-K203 PolarHBondContact O-N 2.91Å; Q200-K203 PolarHBondContact O-N 2.98Å; Q200-K203 VanDerWaalsContact O-N 3.13Å; K203-K205 PolarHBondContact O-N 3.15Å; K203-K205 VanDerWaalsContact O-N 3.16Å; K203-Y206 CarbonylContact O-C 3.59Å; K203-Y206 PolarHBondContact O-N 3.01Å
204	E	62.5	Low	62.2	Low	128 Å²	128	105.9 Å²	105.9	60%	0.598	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.1	171.2	-74.3	158.2	-159.7	0	0	114.6	Q200 H202	Q200-E204 WeakPolarHBondContact CG-OE1 3.48Å; Q200-E204 PolarHBondContact NE2-OE1 2.93Å; Q200-E204 WeakPolarHBondContact O-CG 3.45Å; Q200-E204 PolarHBondContact O-N 3.26Å; H202-E204 VanDerWaalsContact C-N 3.29Å; H202-E204 PolarHBondContact O-N 2.97Å
205	K	53.6	Low	60.5	Low	153 Å²	153	106.8 Å²	106.8	67%	0.665	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-22.4	177	-70.5	-167.8	169.3	-159.6	0	114.2	H202 K203	H202-K205 CarbonylContact O-C 3.27Å; H202-K205 WeakPolarHBondContact O-CA 3.44Å; H202-K205 PolarHBondContact O-N 3.31Å; K203-K205 PolarHBondContact O-N 3.15Å; K203-K205 VanDerWaalsContact O-N 3.16Å
206	Y	51.3	Low	58.9	Low	128 Å²	128	108.2 Å²	108.2	50%	0.502	52%	0.522	S	S	.	.			trans	-139.9	75.6	-175.9	-59.3	-78.1	0	0	0	109.2	H202 K203 H208 I209	H202-Y206 PolarHBondContact O-N 2.81Å; K203-Y206 CarbonylContact O-C 3.59Å; K203-Y206 PolarHBondContact O-N 3.01Å; Y206-H208 PolarHBondContact O-N 2.84Å; Y206-I209 HydrophobicContact CG-CD1 4.31Å
207	P	50.3	Low	57.3	Low	91 Å²	91	103.4 Å²	103.4	59%	0.591	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.8	-171	26.8	-34.7	0	0	0	114.1
208	H	49.9	Very low	56	Low	182 Å²	182	105.8 Å²	105.8	84%	0.843	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	2.8	-176.1	-56.3	-71.7	0	0	0	114.7	Y206	Y206-H208 PolarHBondContact O-N 2.84Å
209	I	52.6	Low	54.5	Low	68 Å²	68	113.2 Å²	113.2	35%	0.349	54%	0.54	S	S	.	.			trans	-102	103.2	-177.7	-53.7	-178.6	0	0	0	109.9	Y206 M211 M233	Y206-I209 HydrophobicContact CG-CD1 4.31Å; I209-M211 HydrophobicContact CG2-CE 3.8Å; I209-M211 HydrophobicContact CG2-CG 4.23Å; I209-M233 HydrophobicContact CG2-SD 4.41Å
210	Q	47.3	Very low	53.5	Low	183 Å²	183	112.9 Å²	112.9	86%	0.855	54%	0.541	S	S	*	.			trans	-76.1	144.9	169.4	-167.9	165.2	-7.6	0	0	109.9
211	M	45.7	Very low	51.9	Low	64 Å²	64	112.5 Å²	112.5	32%	0.315	54%	0.542	S	S	.	.			trans	-139.8	137.8	-170.2	-78.4	-83.3	102.6	0	0	112	I184 I209 M233	I184-M211 HydrophobicContact CD1-CG 4.4Å; I184-M211 HydrophobicContact CD1-SD 4.39Å; I184-M211 HydrophobicContact CG1-SD 4.14Å; I209-M211 HydrophobicContact CG2-CE 3.8Å; I209-M211 HydrophobicContact CG2-CG 4.23Å; M211-M233 HydrophobicContact CE-SD 3.67Å
212	N	44.4	Very low	50.1	Low	97 Å²	97	112.8 Å²	112.8	52%	0.519	55%	0.554	S	S	.	*			trans	-70.6	131.9	177.5	-173.9	-24.4	0	0	0	111.6	Y214	N212-Y214 PolarHBondContact O-N 2.99Å; N212-Y214 PolarHBondContact OD1-N 3.41Å; N212-Y214 VanDerWaalsContact OD1-N 3.08Å
213	P	44.5	Very low	48.6	Very low	102 Å²	102	115.5 Å²	115.5	66%	0.662	57%	0.572	S	S	*	*			trans	-72.2	-14.7	-179.3	-20.7	33.9	0	0	0	117.1
214	Y	41.7	Very low	47.2	Very low	172 Å²	172	114.8 Å²	114.8	68%	0.675	58%	0.581	S	S	*	*	S	Bend	trans	-95.9	149.7	-167.8	-69.9	-93.7	0	0	0	113.6	N212 V216	N212-Y214 PolarHBondContact O-N 2.99Å; N212-Y214 PolarHBondContact OD1-N 3.41Å; N212-Y214 VanDerWaalsContact OD1-N 3.08Å; Y214-V216 PolarHBondContact O-N 3.24Å
215	P	42.5	Very low	46.5	Very low	105 Å²	105	110.2 Å²	110.2	68%	0.682	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-68.7	125.7	171.5	-10.5	26.8	0	0	0	110	P217	P215-P217 WeakPolarHBondContact O-CD 3.36Å
216	V	46.9	Very low	45.8	Very low	45 Å²	45	110 Å²	110	27%	0.273	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-67	125.1	169.2	179.9	0	0	0	0	108.5	Y214 L220	Y214-V216 PolarHBondContact O-N 3.24Å; V216-L220 HydrophobicContact CG1-CB 3.99Å; V216-L220 HydrophobicContact CG1-CD1 4.39Å
217	P	45.8	Very low	45.7	Very low	63 Å²	63	108.1 Å²	108.1	41%	0.409	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-60.3	148.7	177.5	-26.6	36.6	0	0	0	113.4	P215 Y219 L220	P215-P217 WeakPolarHBondContact O-CD 3.36Å; P217-Y219 HydrophobicContact CB-CD1 3.61Å; P217-Y219 HydrophobicContact CB-CE1 3.43Å; P217-Y219 VanDerWaalsContact CB-CE1 3.43Å; P217-Y219 HydrophobicContact CG-CE1 4.05Å; P217-Y219 PolarHBondContact O-N 3.18Å; P217-Y219 VanDerWaalsContact O-N 3.11Å; P217-L220 PolarHBondContact O-N 3.11Å; P217-L220 VanDerWaalsContact O-N 3.12Å
218	E	53.3	Low	45.5	Very low	158 Å²	158	107 Å²	107	74%	0.738	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-67.6	-16.6	-168.7	-148.3	151.7	-139.1	0	0	113.7	L220	E218-L220 VanDerWaalsContact C-N 3.31Å; E218-L220 PolarHBondContact O-N 2.89Å
219	Y	49.5	Very low	45.1	Very low	176 Å²	176	102.2 Å²	102.2	69%	0.69	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-75.9	-11.3	175.3	73.4	-95.3	0	0	0	114.6	P217	P217-Y219 HydrophobicContact CB-CD1 3.61Å; P217-Y219 HydrophobicContact CB-CE1 3.43Å; P217-Y219 VanDerWaalsContact CB-CE1 3.43Å; P217-Y219 HydrophobicContact CG-CE1 4.05Å; P217-Y219 PolarHBondContact O-N 3.18Å; P217-Y219 VanDerWaalsContact O-N 3.11Å
220	L	52.5	Low	44.5	Very low	54 Å²	54	103.6 Å²	103.6	28%	0.283	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-100.5	-4.9	-178.3	-68.5	177.6	0	0	0	114.7	V216 P217 E218 N222	V216-L220 HydrophobicContact CG1-CB 3.99Å; V216-L220 HydrophobicContact CG1-CD1 4.39Å; P217-L220 PolarHBondContact O-N 3.11Å; P217-L220 VanDerWaalsContact O-N 3.12Å; E218-L220 VanDerWaalsContact C-N 3.31Å; E218-L220 PolarHBondContact O-N 2.89Å; L220-N222 PolarHBondContact O-N 3.24Å
221	D	44.6	Very low	44.2	Very low	88 Å²	88	101.8 Å²	101.8	47%	0.471	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.3	-10.1	178.6	-89.8	-34.3	0	0	0	113.4	K181	K181-D221 IonicContact NZ-OD1 2.81Å; K181-D221 PolarHBondContact NZ-OD1 3.11Å; K181-D221 IonicContact NZ-OD2 2.67Å; K181-D221 PolarHBondContact NZ-OD2 3.32Å
222	N	37.2	Very low	44.4	Very low	147 Å²	147	100.5 Å²	100.5	79%	0.786	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	5.2	-169.2	-69.9	-31.1	0	0	0	116.3	L220 P224	L220-N222 PolarHBondContact O-N 3.24Å; N222-P224 WeakPolarHBondContact O-CD 3.29Å
223	V	39.3	Very low	44.1	Very low	88 Å²	88	100.6 Å²	100.6	53%	0.533	57%	0.57	S	S	.	*			trans	-100.9	113.6	178.4	-178	0	0	0	0	110.2	T225	V223-T225 PolarHBondContact O-N 2.77Å
224	P	36.1	Very low	43.7	Very low	118 Å²	118	100.9 Å²	100.9	77%	0.766	58%	0.575	S	S	*	*			trans	-68.7	117	176.9	-17.8	32	0	0	0	111.4	N222	N222-P224 WeakPolarHBondContact O-CD 3.29Å
225	T	47.8	Very low	43.4	Very low	33 Å²	33	99.7 Å²	99.7	20%	0.202	58%	0.579	C	S	.	*			trans	-73.9	135.9	164.2	41.9	0	0	0	0	109.6	V223 S227 G228 I229 Y231	V223-T225 PolarHBondContact O-N 2.77Å; T225-S227 PolarHBondContact O-N 2.92Å; T225-G228 PolarHBondContact O-N 2.95Å; T225-I229 PolarHBondContact OG1-O 3.31Å; T225-Y231 HydrophobicContact CG2-CD2 4.31Å; T225-Y231 HydrophobicContact CG2-CE1 4.16Å; T225-Y231 HydrophobicContact CG2-CE2 3.5Å; T225-Y231 VanDerWaalsContact CG2-CZ 3.41Å; T225-Y231 WeakPolarHBondContact CG2-OH 3.27Å
226	C	39.1	Very low	43.2	Very low	147 Å²	147	99.7 Å²	99.7	99%	0.993	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-11	-176.3	-53.3	0	0	0	0	114.5
227	S	48.9	Very low	42.9	Very low	89 Å²	89	103.4 Å²	103.4	62%	0.622	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-4.9	175.5	55.9	0	0	0	0	114.5	T225 I229	T225-S227 PolarHBondContact O-N 2.92Å; S227-I229 PolarHBondContact O-N 2.82Å; S227-I229 VanDerWaalsContact O-N 3.15Å
228	G	46.1	Very low	42.7	Very low	68 Å²	68	109.4 Å²	109.4	70%	0.701	63%	0.627	S	S	*	*	S	Bend	trans	69.3	5.5	179.6	0	0	0	0	0	115.6	T225	T225-G228 PolarHBondContact O-N 2.95Å
229	I	41.8	Very low	41.7	Very low	82 Å²	82	111.1 Å²	111.1	42%	0.421	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-98.7	123	179.1	-60.1	173.8	0	0	0	109.2	T225 S227 M233	T225-I229 PolarHBondContact OG1-O 3.31Å; S227-I229 PolarHBondContact O-N 2.82Å; S227-I229 VanDerWaalsContact O-N 3.15Å; I229-M233 HydrophobicContact CG2-CB 3.74Å
230	P	40	Very low	41.1	Very low	96 Å²	96	108.5 Å²	108.5	62%	0.623	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-71.5	142	177	29.4	-34.4	0	0	0	111.6	G232	P230-G232 PolarHBondContact O-N 3.4Å
231	Y	39.7	Very low	40.2	Very low	145 Å²	145	112.3 Å²	112.3	57%	0.569	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	119.5	179.6	-67.7	-77.9	0	0	0	112	T225	T225-Y231 HydrophobicContact CG2-CD2 4.31Å; T225-Y231 HydrophobicContact CG2-CE1 4.16Å; T225-Y231 HydrophobicContact CG2-CE2 3.5Å; T225-Y231 VanDerWaalsContact CG2-CZ 3.41Å; T225-Y231 WeakPolarHBondContact CG2-OH 3.27Å
232	G	51.9	Low	39.7	Very low	38 Å²	38	113.8 Å²	113.8	39%	0.392	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	128.1	-8	-177.6	0	0	0	0	0	115.2	P230	P230-G232 PolarHBondContact O-N 3.4Å
233	M	36	Very low	39.5	Very low	98 Å²	98	113.5 Å²	113.5	48%	0.483	68%	0.678	S	S	.	*			trans	-104.6	106.3	168.2	-73	-65.1	-59.9	0	0	110.3	I209 M211 I229	I209-M233 HydrophobicContact CG2-SD 4.41Å; M211-M233 HydrophobicContact CE-SD 3.67Å; I229-M233 HydrophobicContact CG2-CB 3.74Å
234	S	37	Very low	39	Very low	109 Å²	109	119.9 Å²	119.9	76%	0.762	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-103.3	130	163	46.1	0	0	0	0	109.7
235	L	36.5	Very low	39	Very low	147 Å²	147	122.2 Å²	122.2	77%	0.77	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-79.9	140.4	163.6	-71.2	166.2	0	0	0	108.3
236	P	37.1	Very low	38	Very low	105 Å²	105	127.7 Å²	127.7	68%	0.682	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-65.3	147.8	163.7	30.8	-33.6	0	0	0	109.1	E238	P236-E238 PolarHBondContact O-N 3.02Å
237	P	41	Very low	37.8	Very low	122 Å²	122	125.2 Å²	125.2	79%	0.792	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-63.1	124.5	174.5	26.6	-33.3	0	0	0	109.6	K239	P237-K239 PolarHBondContact O-N 3.36Å
238	E	41.3	Very low	37	Very low	190 Å²	190	130.6 Å²	130.6	89%	0.888	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-65.5	130.4	172.6	-65.7	-166	128.1	0	0	109.3	P236 P240	P236-E238 PolarHBondContact O-N 3.02Å; E238-P240 WeakPolarHBondContact O-CD 3.36Å
239	K	32.3	Very low	36.7	Very low	194 Å²	194	132.9 Å²	132.9	84%	0.843	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-72.5	122.2	177.9	-62.9	-178.9	-179.1	-176.7	0	108.1	P237 V241	P237-K239 PolarHBondContact O-N 3.36Å; K239-V241 PolarHBondContact O-N 3.13Å
240	P	37.9	Very low	36.2	Very low	121 Å²	121	135.8 Å²	135.8	79%	0.786	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-64.2	124.2	176.4	26.1	-33.1	0	0	0	109.6	E238	E238-P240 WeakPolarHBondContact O-CD 3.36Å
241	V	33.6	Very low	35.7	Very low	134 Å²	134	138.7 Å²	138.7	81%	0.812	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-68	138	167.4	174.5	0	0	0	0	108.2	K239 T243	K239-V241 PolarHBondContact O-N 3.13Å; V241-T243 PolarHBondContact O-N 2.99Å
242	T	33.5	Very low	35.9	Very low	119 Å²	119	137.1 Å²	137.1	73%	0.73	76%	0.763	S	S	*	*			trans	-78.6	115.9	-167.3	49.4	0	0	0	0	112.9
243	T	32.4	Very low	34.9	Very low	140 Å²	140	142.4 Å²	142.4	86%	0.859	79%	0.788	S	S	*	*			trans	-131.7	75.6	157.8	-40.7	0	0	0	0	109.2	V241	V241-T243 PolarHBondContact O-N 2.99Å
244	W	30	Very low	34.8	Very low	222 Å²	222	144.4 Å²	144.4	84%	0.841	81%	0.805	S	S	*	*			trans	-94.3	114.7	172.4	-85.1	96.7	0	0	0	110.3
245	L	34.2	Very low	35.3	Very low	167 Å²	167	144.5 Å²	144.5	87%	0.874	80%	0.803	S	S	*	*			trans	-136.2	124	150	-78	178.4	0	0	0	107.7
246	D	28.3	Very low	35	Very low	149 Å²	149	143.4 Å²	143.4	80%	0.797	80%	0.803	S	S	*	*			trans	31.5	120.6	166.5	-113.4	-9.8	0	0	0	118.6
247	S	34.6	Very low	34.9	Very low	95 Å²	95	143.1 Å²	143.1	66%	0.664	80%	0.803	S	S	*	*				-160.9	175.9	56.9	-62.5	0	0	0	0	113.6
248	K	32.1	Very low	34.7	Very low	202 Å²	202	144.6 Å²	144.6	88%	0.878	81%	0.81	S	S	*	*			trans	-79	164.6	-176.3	-84.1	172.6	179.9	169.8	0	114.8
249	P	39	Very low	34.1	Very low	116 Å²	116	139.1 Å²	139.1	75%	0.753	80%	0.804	S	S	*	*			trans	-103.5	164.3	-150.9	39.4	-37.2	0	0	0	116.3
250	V	30.7	Very low	34	Very low	143 Å²	143	137.6 Å²	137.6	87%	0.867	80%	0.804	S	S	*	*			trans	-138.4	146.3	162.4	-172.3	0	0	0	0	109.1
251	L	30.1	Very low	33.7	Very low	156 Å²	156	139.9 Å²	139.9	82%	0.817	81%	0.805	S	S	*	*			trans	-101.1	-157.9	177.8	-64.7	169.8	0	0	0	110.8
252	P	43.3	Very low	33.9	Very low	113 Å²	113	141.2 Å²	141.2	73%	0.734	81%	0.806	S	S	*	*				-128.9	151.7	-97.6	39	-22.4	0	0	0	115.1
253	T	32.9	Very low	34.3	Very low	149 Å²	149	141 Å²	141	91%	0.914	81%	0.807	S	S	*	*			trans	-149.5	154	163.8	17.7	0	0	0	0	113.1
254	V	33.8	Very low	35.6	Very low	140 Å²	140	139.3 Å²	139.3	85%	0.848	80%	0.799	S	S	*	*			trans	-105.5	179.9	-178.7	-113.2	0	0	0	0	110
255	P	47.4	Very low	35.7	Very low	111 Å²	111	134.7 Å²	134.7	72%	0.721	80%	0.795	S	S	*	*			trans	-101.4	-176.9	-144.3	42.1	-38.4	0	0	0	114.4
256	T	30.4	Very low	35.9	Very low	123 Å²	123	132.9 Å²	132.9	76%	0.755	79%	0.79	S	S	*	*				164.6	154.3	123.7	-67.6	0	0	0	0	112.4
257	S	34.5	Very low	36.9	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	79%	0.791	S	S	*	*			trans	53.4	107.8	159.5	58.3	0	0	0	0	122
258	V	36.1	Very low	36.6	Very low	154 Å²	154	131 Å²	131	93%	0.933	80%	0.798	S	S	*	*				26.1	117.2	118.2	-174.2	0	0	0	0	118.2
259	G	28.7	Very low	36.5	Very low	75 Å²	75	125.6 Å²	125.6	77%	0.773	79%	0.792	S	S	*	*			trans	-167.1	101.8	171.3	0	0	0	0	0	116.8
260	L	29.9	Very low	36	Very low	161 Å²	161	129.4 Å²	129.4	84%	0.843	80%	0.799	S	S	*	*			trans	25.5	121.9	151	-59.3	174.1	0	0	0	124
261	Q	31.4	Very low	35.9	Very low	170 Å²	170	125.7 Å²	125.7	79%	0.794	79%	0.79	S	S	*	*			trans	22	122	130.1	-59.1	-178.1	5.1	0	0	123.4
262	L	39.5	Very low	36	Very low	161 Å²	161	129.2 Å²	129.2	84%	0.843	79%	0.794	S	S	*	*				52.2	132.8	123.5	-57.5	178.8	0	0	0	124.1
263	P	42.1	Very low	35.3	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	79%	0.793	S	S	*	*			trans	-125.2	175.6	152.4	39.9	-28.1	0	0	0	113.3
264	P	59	Low	35	Very low	104 Å²	104	128.3 Å²	128.3	68%	0.675	79%	0.789	S	S	*	*			cis	-141.7	166.6	-34.8	37.9	-20.9	0	0	0	116
265	T	31.1	Very low	34.8	Very low	125 Å²	125	126 Å²	126	77%	0.767	78%	0.78	S	S	*	*			trans	64.3	148.7	150	54.4	0	0	0	0	119.8
266	V	40	Very low	35	Very low	128 Å²	128	126.5 Å²	126.5	78%	0.776	78%	0.783	S	S	*	*			cis	-167.7	179.9	-1.2	-97.9	0	0	0	0	108.3
267	P	48	Very low	34.8	Very low	124 Å²	124	126.4 Å²	126.4	81%	0.805	79%	0.787	S	S	*	*			cis	-130.2	173.8	-44.7	37.9	-22.3	0	0	0	113
268	G	28.3	Very low	34.5	Very low	80 Å²	80	126.1 Å²	126.1	83%	0.825	79%	0.791	S	S	*	*			trans	164.8	120.3	164.8	0	0	0	0	0	117.9
269	A	30.2	Very low	34.4	Very low	90 Å²	90	125.2 Å²	125.2	74%	0.744	79%	0.786	S	S	*	*			trans	-55.4	147	-175.3	0	0	0	0	0	120
270	H	28.8	Very low	35	Very low	195 Å²	195	127.2 Å²	127.2	90%	0.903	79%	0.785	S	S	*	*			trans	32.9	141.2	145	-58.5	-86.8	0	0	0	121.9
271	G	28.6	Very low	34.9	Very low	66 Å²	66	124 Å²	124	68%	0.68	78%	0.782	S	S	*	*			cis	160.1	163.4	-4.8	0	0	0	0	0	114.1
272	Y	31.9	Very low	34.7	Very low	229 Å²	229	120.7 Å²	120.7	90%	0.898	78%	0.778	S	S	*	*			trans	74.3	101.2	168.7	-88.1	-96.8	0	0	0	122.2
273	A	29.3	Very low	34.3	Very low	86 Å²	86	124.7 Å²	124.7	71%	0.711	78%	0.782	S	S	*	*				85.2	126.8	116.7	0	0	0	0	0	124.4
274	D	25.4	Very low	33.5	Very low	157 Å²	157	124.6 Å²	124.6	84%	0.84	78%	0.784	S	S	*	*			trans	78.7	171.1	148.5	-117.3	-49.9	0	0	0	122.7
275	S	29.1	Very low	33.2	Very low	93 Å²	93	124.5 Å²	124.5	65%	0.65	78%	0.783	S	S	*	*			trans	-128.9	-172.5	-146.9	-25.4	0	0	0	0	111.6
276	P	52.3	Low	33	Very low	121 Å²	121	127 Å²	127	79%	0.786	79%	0.786	S	S	*	*			cis	-134	-163	-21.5	36.2	-16.3	0	0	0	113.1
277	S	25.7	Very low	32.3	Very low	120 Å²	120	131.5 Å²	131.5	84%	0.839	79%	0.789	S	S	*	*			trans	104.7	163.2	142.5	-151.4	0	0	0	0	121.5
278	A	29.6	Very low	32	Very low	94 Å²	94	130.7 Å²	130.7	78%	0.777	78%	0.784	S	S	*	*			trans	83.2	122	165.7	0	0	0	0	0	121.5
279	T	32.7	Very low	31.9	Very low	134 Å²	134	132 Å²	132	82%	0.822	78%	0.78	S	S	*	*			trans	-94.1	166.7	154.8	55.5	0	0	0	0	109.7
280	P	41.9	Very low	33.5	Very low	117 Å²	117	133.6 Å²	133.6	76%	0.76	78%	0.783	S	S	*	*				-161.3	173.6	99.5	41.6	-22.3	0	0	0	118.3
281	A	28.7	Very low	33.3	Very low	93 Å²	93	129.3 Å²	129.3	77%	0.769	78%	0.782	S	S	*	*			trans	66.7	159.7	142.5	0	0	0	0	0	121.6
282	S	27.4	Very low	33.3	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	78%	0.782	S	S	*	*			cis	-174.2	161.8	-29.5	61	0	0	0	0	111.7
283	R	30.4	Very low	33.4	Very low	245 Å²	245	124.9 Å²	124.9	93%	0.925	77%	0.774	S	S	*	*			trans	130	157.8	150.7	-70.9	-175.9	177.4	-147.6	-2.6	117.2
284	S	25.9	Very low	33.3	Very low	113 Å²	113	129.5 Å²	129.5	79%	0.79	78%	0.78	S	S	*	*			trans	-144.2	-167.2	-176	-148.1	0	0	0	0	107.2
285	P	51.9	Low	33.2	Very low	102 Å²	102	127.4 Å²	127.4	66%	0.662	78%	0.777	S	S	*	*			cis	-136.7	-178.4	-9.5	37.5	-17.2	0	0	0	114.9
286	Q	26.7	Very low	33.1	Very low	179 Å²	179	126.8 Å²	126.8	84%	0.836	78%	0.777	S	S	*	*			trans	159.3	164.8	130.2	-89.4	-63.5	-1.8	0	0	116.3
287	R	25.9	Very low	31.8	Very low	222 Å²	222	126.3 Å²	126.3	84%	0.838	78%	0.777	S	S	*	*			trans	-118.3	-175.2	176.2	-122.9	-173	168.5	-138.5	1.4	109
288	P	41.7	Very low	31.9	Very low	107 Å²	107	128.7 Å²	128.7	70%	0.695	78%	0.779	S	S	*	*			cis	-131.8	-166.8	-7.5	39.8	-19.6	0	0	0	114.9
289	S	26.3	Very low	32	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	78%	0.78	S	S	*	*			trans	-104	-167.6	176.9	-21	0	0	0	0	111.4
290	P	63.3	Low	32.5	Very low	124 Å²	124	129.4 Å²	129.4	81%	0.805	78%	0.781	S	S	*	*			cis	-133.1	174.8	-43.9	36.4	-20.5	0	0	0	113.1
291	A	25.1	Very low	31.7	Very low	105 Å²	105	127 Å²	127	87%	0.868	78%	0.777	S	S	*	*			trans	-152.7	162.8	160.7	0	0	0	0	0	114.7
292	S	28.8	Very low	31.8	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	78%	0.779	S	S	*	*			trans	-71.3	154.9	-166.9	51.8	0	0	0	0	119.8
293	S	33.6	Very low	31.7	Very low	103 Å²	103	131.6 Å²	131.6	72%	0.72	78%	0.78	S	S	*	*			trans	66	172.2	134.5	69.2	0	0	0	0	119
294	E	26	Very low	31.6	Very low	182 Å²	182	126.7 Å²	126.7	85%	0.85	77%	0.768	S	S	*	*			cis	-123.4	-114.2	4.3	-69.2	-177.4	97	0	0	114.3
295	C	24.1	Very low	31.9	Very low	114 Å²	114	127.1 Å²	127.1	77%	0.77	77%	0.765	S	S	*	*			trans	-148.7	177.1	-152.8	69.4	0	0	0	0	116.1
296	A	26.1	Very low	30.8	Very low	79 Å²	79	129.1 Å²	129.1	65%	0.653	77%	0.766	S	S	*	*			trans	71.6	102.7	155.3	0	0	0	0	0	121.4
297	S	26.8	Very low	31	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	76%	0.757	S	S	*	*				77.2	158.2	119.2	-56.6	0	0	0	0	122.6
298	L	26.5	Very low	31	Very low	170 Å²	170	117.3 Å²	117.3	89%	0.89	75%	0.746	S	S	*	*			trans	83.9	120.7	163.9	-52.4	-176.6	0	0	0	119
299	S	32	Very low	30.5	Very low	113 Å²	113	118.9 Å²	118.9	79%	0.79	75%	0.753	S	S	*	*			trans	-80.5	160	151.5	-44.2	0	0	0	0	109.5
300	P	42.4	Very low	30.6	Very low	130 Å²	130	119.2 Å²	119.2	84%	0.844	76%	0.756	S	S	*	*				-139.3	167.2	87.1	36.5	-21.6	0	0	0	113.9
301	G	26.8	Very low	28.8	Very low	67 Å²	67	117.8 Å²	117.8	69%	0.691	76%	0.755	S	S	*	*			trans	-99.8	-164.9	179.9	0	0	0	0	0	113.8
302	L	29.2	Very low	28.8	Very low	152 Å²	152	119.3 Å²	119.3	80%	0.796	75%	0.754	S	S	*	*			trans	173.7	141.6	143.9	-95.5	167.3	0	0	0	112.3
303	N	27	Very low	28.8	Very low	140 Å²	140	119 Å²	119	75%	0.749	76%	0.756	S	S	*	*			trans	65	160	151.7	-58.4	-18	0	0	0	121.6
304	H	28.5	Very low	28.3	Very low	142 Å²	142	123 Å²	123	66%	0.657	76%	0.764	S	S	*	*			cis	-170.4	-179.7	-37.7	-167.4	-108.2	0	0	0	108.5	E306	H304-E306 IonicContact CE1-OE2 3.68Å; H304-E306 PolarHBondContact CE1-OE2 2.79Å; H304-E306 VanDerWaalsContact CE1-OE2 3.25Å; H304-E306 IonicContact ND1-OE2 3.91Å
305	V	30.6	Very low	28.4	Very low	122 Å²	122	119.3 Å²	119.3	74%	0.739	76%	0.758	S	S	*	*			trans	77.6	126.5	165.8	-174.8	0	0	0	0	115.3
306	E	29.9	Very low	29.2	Very low	143 Å²	143	119.4 Å²	119.4	67%	0.668	76%	0.757	S	S	*	*			cis	-176.7	-179.6	-28.3	-119.8	179.7	78.3	0	0	108.1	H304	H304-E306 IonicContact CE1-OE2 3.68Å; H304-E306 PolarHBondContact CE1-OE2 2.79Å; H304-E306 VanDerWaalsContact CE1-OE2 3.25Å; H304-E306 IonicContact ND1-OE2 3.91Å
307	S	30.3	Very low	29.2	Very low	95 Å²	95	124.2 Å²	124.2	66%	0.664	77%	0.766	S	S	*	*			cis	-148.9	-165.5	-1.9	-142.3	0	0	0	0	107
308	G	26.7	Very low	29.1	Very low	59 Å²	59	123.7 Å²	123.7	61%	0.608	76%	0.763	S	S	*	*			cis	159.6	-173.6	2.1	0	0	0	0	0	112.3
309	V	30.7	Very low	29	Very low	139 Å²	139	123.5 Å²	123.5	84%	0.842	76%	0.762	S	S	*	*			trans	40.8	103	152.7	-170.6	0	0	0	0	117
310	S	27.6	Very low	28.8	Very low	114 Å²	114	126.7 Å²	126.7	80%	0.797	77%	0.769	S	S	*	*			cis	-159.3	-158.2	14.5	-101.6	0	0	0	0	109.3
311	A	26.9	Very low	27.9	Very low	95 Å²	95	124 Å²	124	79%	0.785	76%	0.764	S	S	*	*			cis	-161.1	-165.2	20.6	0	0	0	0	0	114.4
312	T	24.8	Very low	28	Very low	137 Å²	137	124.4 Å²	124.4	84%	0.84	77%	0.769	S	S	*	*			trans	-95.2	164.5	-176.4	43.5	0	0	0	0	114.1
313	A	28.1	Very low	29.5	Very low	91 Å²	91	123.2 Å²	123.2	75%	0.752	77%	0.77	S	S	*	*			cis	-174.8	-163.2	-15.8	0	0	0	0	0	110.4
314	E	23.3	Very low	30.6	Very low	187 Å²	187	121.9 Å²	121.9	87%	0.874	77%	0.769	S	S	*	*			trans	93.1	147.1	160.5	-81.2	-167	77.6	0	0	122.4
315	S	29	Very low	30.6	Very low	105 Å²	105	122.3 Å²	122.3	73%	0.734	78%	0.776	S	S	*	*			trans	-164.6	135.5	176.8	168.2	0	0	0	0	107.1
316	P	40.9	Very low	30.4	Very low	116 Å²	116	122.4 Å²	122.4	75%	0.753	78%	0.777	S	S	*	*			trans	-138.9	-178.1	144.9	36.8	-22.7	0	0	0	114.2
317	Q	26.3	Very low	30.2	Very low	180 Å²	180	124.7 Å²	124.7	84%	0.841	78%	0.784	S	S	*	*			trans	-108.2	159.4	-167	-54.6	169.9	-86.5	0	0	113.3
318	S	22.9	Very low	30.1	Very low	101 Å²	101	123.9 Å²	123.9	71%	0.706	78%	0.783	S	S	*	*			trans	40	134	140.8	-54.4	0	0	0	0	122.4
319	L	25.8	Very low	30.3	Very low	165 Å²	165	129.9 Å²	129.9	86%	0.864	80%	0.796	S	S	*	*				164.9	139.7	109.8	-88.3	172	0	0	0	114.2
320	L	26.6	Very low	31.1	Very low	181 Å²	181	128.2 Å²	128.2	95%	0.948	79%	0.787	S	S	*	*			trans	145	136.2	159	-87.3	153.8	0	0	0	109
321	G	25	Very low	31	Very low	72 Å²	72	129.2 Å²	129.2	74%	0.742	79%	0.788	S	S	*	*			cis	-156.9	-174.6	-2.8	0	0	0	0	0	111.4
322	G	27	Very low	30.9	Very low	76 Å²	76	129.9 Å²	129.9	78%	0.784	79%	0.787	S	S	*	*			trans	-92	178.1	-167.1	0	0	0	0	0	118.5
323	P	61.4	Low	30.9	Very low	127 Å²	127	131.1 Å²	131.1	83%	0.825	79%	0.788	S	S	*	*			trans	-99.9	-171.4	-169.2	42.4	-38.2	0	0	0	113.9
324	P	49.7	Very low	31.3	Very low	112 Å²	112	132.6 Å²	132.6	73%	0.727	79%	0.79	S	S	*	*				-153.6	162.9	95	41	-23.8	0	0	0	118.1
325	L	28.6	Very low	31.4	Very low	152 Å²	152	129 Å²	129	80%	0.796	78%	0.784	S	S	*	*			trans	43.8	146.4	142.1	-70.3	162.2	0	0	0	121.5
326	T	27.7	Very low	31.1	Very low	123 Å²	123	131.1 Å²	131.1	76%	0.755	79%	0.793	S	S	*	*			cis	-148.3	147.6	37	48	0	0	0	0	116
327	K	24.6	Very low	30.4	Very low	192 Å²	192	132.6 Å²	132.6	84%	0.835	80%	0.795	S	S	*	*			trans	18.6	152.1	133.5	-76.2	-163.7	169.6	-173.7	0	122
328	A	29	Very low	30.6	Very low	77 Å²	77	128.6 Å²	128.6	64%	0.636	79%	0.792	S	S	*	*			cis	-169.8	142.5	-8.3	0	0	0	0	0	114.1
329	E	30.3	Very low	31.1	Very low	186 Å²	186	135.7 Å²	135.7	87%	0.869	80%	0.803	S	S	*	*			trans	70.5	162.3	133.3	-82	-150.2	88.8	0	0	123.8
330	P	47.2	Very low	31.4	Very low	103 Å²	103	132.6 Å²	132.6	67%	0.669	80%	0.802	S	S	*	*			trans	-127.1	-170.1	-136.7	47	-35.8	0	0	0	115
331	V	25.2	Very low	31.3	Very low	135 Å²	135	127.2 Å²	127.2	82%	0.818	79%	0.79	S	S	*	*			trans	-178.7	157.9	132.3	143.1	0	0	0	0	112.8
332	S	25.1	Very low	31.4	Very low	109 Å²	109	131.9 Å²	131.9	76%	0.762	80%	0.797	S	S	*	*			trans	-35.1	170.5	178.7	-48.8	0	0	0	0	123.5
333	L	24.8	Very low	31.5	Very low	163 Å²	163	132.2 Å²	132.2	85%	0.853	79%	0.793	S	S	*	*			trans	-45.8	165.3	158.7	-53.9	172	0	0	0	113.6
334	P	36.7	Very low	31.1	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	79%	0.789	S	S	*	*			cis	-146.8	-151.2	25.7	45	-22.9	0	0	0	116.1
335	C	24.7	Very low	30	Very low	112 Å²	112	133.3 Å²	133.3	76%	0.757	80%	0.797	S	S	*	*			trans	-71.7	166	178.4	-43.2	0	0	0	0	115.2
336	T	24	Very low	30	Very low	149 Å²	149	129.2 Å²	129.2	91%	0.914	79%	0.791	S	S	*	*			trans	-173.5	-178.3	137.1	17.1	0	0	0	0	113.8
337	N	25.3	Very low	30.1	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	79%	0.793	S	S	*	*			trans	-106.1	140.4	-169	-61.7	-59.9	0	0	0	115.3
338	A	31.2	Very low	30.4	Very low	95 Å²	95	128.1 Å²	128.1	79%	0.785	80%	0.797	S	S	*	*			trans	44	139.6	131.1	0	0	0	0	0	125.2
339	R	33.1	Very low	30.5	Very low	250 Å²	250	128.1 Å²	128.1	94%	0.943	80%	0.797	S	S	*	*			trans	92	129.4	136.7	-166	-176.6	-169.3	-176.2	3.8	120.6
340	A	31.7	Very low	30.7	Very low	101 Å²	101	125.1 Å²	125.1	84%	0.835	80%	0.797	S	S	*	*			trans	-177.1	157.5	137	0	0	0	0	0	113.9
341	G	25	Very low	30	Very low	67 Å²	67	124.8 Å²	124.8	69%	0.691	80%	0.803	S	S	*	*			trans	86.4	142.6	162.8	0	0	0	0	0	118.9
342	D	27.1	Very low	30.2	Very low	170 Å²	170	122.7 Å²	122.7	91%	0.909	80%	0.8	S	S	*	*			cis	-161.9	-178.9	-22.9	-129.7	-59.8	0	0	0	112.6
343	A	29.1	Very low	31.6	Very low	84 Å²	84	123 Å²	123	69%	0.694	80%	0.799	S	S	*	*			trans	-115.2	-157.9	-176.3	0	0	0	0	0	112.7
344	P	53.9	Low	32	Very low	115 Å²	115	121.3 Å²	121.3	75%	0.747	80%	0.796	S	S	*	*			cis	-143.3	-154.7	-4.3	36.3	-10.2	0	0	0	116.6
345	V	26.8	Very low	31.9	Very low	146 Å²	146	120.1 Å²	120.1	89%	0.885	79%	0.791	S	S	*	*			trans	84.1	142.7	165.6	-166.7	0	0	0	0	118.4
346	G	27.1	Very low	32.3	Very low	66 Å²	66	121.1 Å²	121.1	68%	0.68	79%	0.793	S	S	*	*			cis	160.9	151	-14.3	0	0	0	0	0	116.8
347	A	30.8	Very low	32.5	Very low	96 Å²	96	121.5 Å²	121.5	79%	0.793	79%	0.789	S	S	*	*			trans	66.9	121.9	162.4	0	0	0	0	0	121.1
348	Q	30	Very low	33	Very low	196 Å²	196	117.5 Å²	117.5	92%	0.916	78%	0.783	S	S	*	*				79.4	150.2	83.1	-84	-169.8	-22.6	0	0	116.8
349	A	32.1	Very low	33.3	Very low	77 Å²	77	117.6 Å²	117.6	64%	0.636	78%	0.784	S	S	*	*			cis	-167.4	170.1	-8.3	0	0	0	0	0	113
350	S	33.3	Very low	33.8	Very low	124 Å²	124	111 Å²	111	87%	0.867	77%	0.774	S	S	*	*			trans	49.7	153.4	145.5	-67.7	0	0	0	0	123.5
351	A	33.6	Very low	33.7	Very low	95 Å²	95	112 Å²	112	79%	0.785	77%	0.77	S	S	*	*			cis	-165.8	-179.3	-12.2	0	0	0	0	0	112.5
352	A	29.2	Very low	33.9	Very low	92 Å²	92	113.4 Å²	113.4	76%	0.76	77%	0.769	S	S	*	*			trans	-46.2	-170	177.8	0	0	0	0	0	118.1
353	P	53.7	Low	34.1	Very low	114 Å²	114	113.5 Å²	113.5	74%	0.74	77%	0.768	S	S	*	*			cis	-128.9	-167.3	-2.2	42.8	-23.6	0	0	0	112.8
354	T	34.7	Very low	34	Very low	128 Å²	128	112.6 Å²	112.6	79%	0.785	77%	0.767	S	S	*	*			cis	-140.8	-143.1	4.6	-28.8	0	0	0	0	107.5
355	S	32.9	Very low	32.7	Very low	98 Å²	98	113 Å²	113	69%	0.685	77%	0.772	S	S	*	*			cis	-176.6	154.8	-8.1	33.3	0	0	0	0	107
356	V	33.3	Very low	33.7	Very low	133 Å²	133	112.5 Å²	112.5	81%	0.806	77%	0.772	S	S	*	*			cis	-121.5	-124.6	-5.4	-76.2	0	0	0	0	109.7
357	D	29.6	Very low	33.5	Very low	156 Å²	156	113.1 Å²	113.1	83%	0.834	78%	0.778	S	S	*	*			trans	-143.4	166.8	-160.4	-75.8	-89.6	0	0	0	111.9
358	G	35.4	Very low	33.2	Very low	65 Å²	65	116.8 Å²	116.8	67%	0.67	78%	0.784	S	S	*	*			cis	141.4	-160.8	-4.1	0	0	0	0	0	113.7
359	A	36.7	Very low	33.7	Very low	96 Å²	96	113.3 Å²	113.3	79%	0.793	78%	0.778	S	S	*	*			trans	64.4	146.9	-177.2	0	0	0	0	0	117.9
360	P	43.7	Very low	33.5	Very low	113 Å²	113	114 Å²	114	73%	0.734	78%	0.784	S	S	*	*			cis	-113.2	146.2	0.2	38.5	-27.4	0	0	0	115.7
361	T	29.9	Very low	33.3	Very low	122 Å²	122	114.6 Å²	114.6	75%	0.748	78%	0.782	S	S	*	*			trans	22.7	118.3	150.9	54.7	0	0	0	0	120.6
362	S	29.8	Very low	33.5	Very low	96 Å²	96	115.2 Å²	115.2	67%	0.671	78%	0.78	S	S	*	*				73	136.4	55.6	81.3	0	0	0	0	114.2
363	L	30.7	Very low	33.8	Very low	172 Å²	172	118.6 Å²	118.6	90%	0.901	78%	0.78	S	S	*	*			cis	-141.1	177.7	7.7	-84.3	108.6	0	0	0	109
364	G	26.1	Very low	32.9	Very low	64 Å²	64	120.7 Å²	120.7	66%	0.66	78%	0.78	S	S	*	*			cis	-178.7	-178.5	3.2	0	0	0	0	0	110.9
365	S	27	Very low	32.8	Very low	123 Å²	123	123.8 Å²	123.8	86%	0.86	78%	0.783	S	S	*	*			trans	-115.6	-153.2	-168.5	-51	0	0	0	0	114.1
366	P	47.6	Very low	32.6	Very low	137 Å²	137	128.1 Å²	128.1	89%	0.89	79%	0.79	S	S	*	*				-106.4	166.5	-126.7	27.6	-7.2	0	0	0	115.4
367	G	23.6	Very low	32.9	Very low	78 Å²	78	125.5 Å²	125.5	80%	0.804	78%	0.782	S	S	*	*			trans	-143.7	153.7	-178.5	0	0	0	0	0	115.7
368	L	24	Very low	33	Very low	174 Å²	174	126.6 Å²	126.6	91%	0.911	78%	0.782	S	S	*	*			trans	-84.8	-164.7	166.2	-52.4	167.8	0	0	0	109.2
369	P	42	Very low	33.2	Very low	123 Å²	123	132.5 Å²	132.5	80%	0.799	79%	0.79	S	S	*	*			cis	-128	175.4	-23	32.7	-14.7	0	0	0	113.4
370	A	27.9	Very low	33.7	Very low	91 Å²	91	133.4 Å²	133.4	75%	0.752	79%	0.788	S	S	*	*			trans	-169.4	113.5	150.1	0	0	0	0	0	114.6
371	V	28.5	Very low	33.5	Very low	137 Å²	137	138.4 Å²	138.4	83%	0.83	80%	0.798	S	S	*	*			trans	31.5	140.2	149.5	-78.3	0	0	0	0	125.1
372	S	37.3	Very low	33.4	Very low	107 Å²	107	136.3 Å²	136.3	75%	0.748	80%	0.8	S	S	*	*			trans	71.3	129.2	155.3	-55.4	0	0	0	0	118.2
373	E	35.5	Very low	33.3	Very low	163 Å²	163	135.5 Å²	135.5	76%	0.762	81%	0.808	S	S	*	*				65.7	134.2	54.6	-68.5	-141	102.1	0	0	113.9
374	Q	35.8	Very low	33.3	Very low	159 Å²	159	134.8 Å²	134.8	74%	0.743	80%	0.804	S	S	*	*			cis	-148.5	150.1	9.7	-156.3	169.2	51	0	0	115.3
375	F	32.5	Very low	33.8	Very low	193 Å²	193	139.2 Å²	139.2	85%	0.846	81%	0.811	S	S	*	*			trans	-27.9	142.5	157.5	-125.3	-109.7	0	0	0	118.3
376	K	27.3	Very low	34	Very low	188 Å²	188	139.1 Å²	139.1	82%	0.817	80%	0.801	S	S	*	*				162.6	155.6	106.2	-169.6	163.2	-177.1	177.7	0	112.9
377	A	41.2	Very low	33.7	Very low	79 Å²	79	137.8 Å²	137.8	65%	0.653	80%	0.795	S	S	*	*			trans	-122.1	154.2	177.6	0	0	0	0	0	112.8
378	Q	30	Very low	34.2	Very low	179 Å²	179	140.8 Å²	140.8	84%	0.836	79%	0.79	S	S	*	*				172.2	151	128.8	-153.3	70.2	-7.8	0	0	111.7
379	F	40.7	Very low	35.3	Very low	189 Å²	189	139.6 Å²	139.6	83%	0.829	78%	0.78	S	S	*	*			trans	-67.9	163.1	167.3	-70.5	-84.8	0	0	0	112.1
380	P	47	Very low	35	Very low	115 Å²	115	139.4 Å²	139.4	75%	0.747	78%	0.776	S	S	*	*			cis	-152.1	175.1	43.6	42.4	-20.1	0	0	0	120.8
381	F	39.8	Very low	36	Very low	218 Å²	218	138.9 Å²	138.9	96%	0.956	77%	0.768	S	S	*	*			trans	20.2	125.8	157.6	-93.7	-93.2	0	0	0	122.7
382	G	26.4	Very low	36.9	Very low	77 Å²	77	137.9 Å²	137.9	79%	0.794	75%	0.754	S	S	*	*			trans	163.7	74.6	151.2	0	0	0	0	0	121.2
383	G	28.4	Very low	37.5	Very low	80 Å²	80	137.3 Å²	137.3	83%	0.825	75%	0.746	S	S	*	*			trans	75.1	167.6	165.9	0	0	0	0	0	116.5
384	L	30.6	Very low	38.5	Very low	156 Å²	156	132.7 Å²	132.7	82%	0.817	73%	0.731	S	S	*	*			cis	-156.6	129.4	-1.2	176.9	73.5	0	0	0	110
385	L	36.2	Very low	39.3	Very low	157 Å²	157	132.5 Å²	132.5	82%	0.822	73%	0.728	S	S	*	*			trans	61.2	144.9	175.8	-63.4	158.7	0	0	0	116.2
386	D	31.5	Very low	40.6	Very low	121 Å²	121	124.8 Å²	124.8	65%	0.647	70%	0.696	S	S	*	*			cis	-118.4	156.3	-2.3	-172.6	-90.5	0	0	0	110.7
387	S	40.8	Very low	42.2	Very low	109 Å²	109	120.5 Å²	120.5	76%	0.762	68%	0.678	S	S	*	*			trans	-156.2	112.4	-175.7	-177.1	0	0	0	0	114.1
388	M	35.1	Very low	43.4	Very low	141 Å²	141	122.2 Å²	122.2	70%	0.695	67%	0.673	S	S	*	*			trans	-156.6	86.9	164	49.8	-158.6	85.4	0	0	115.8
389	Q	46.8	Very low	45	Very low	150 Å²	150	117.6 Å²	117.6	70%	0.701	65%	0.654	S	S	*	*			trans	52.7	85.6	142.5	-55.2	-170.1	-63.2	0	0	119.3
390	T	35.3	Very low	46.1	Very low	118 Å²	118	109.4 Å²	109.4	72%	0.724	62%	0.619	S	S	*	*			trans	-108.9	-11.2	165.7	52.9	0	0	0	0	114.5	T393	T390-T393 PolarHBondContact O-OG1 3.36Å; T390-T393 VanDerWaalsContact O-OG1 3.14Å
391	S	49.7	Very low	46.9	Very low	81 Å²	81	108.2 Å²	108.2	57%	0.566	60%	0.603	S	S	*	*	H	α-helix	trans	-84.1	-19.3	-166.5	52.1	0	0	0	0	116.1
392	E	46.9	Very low	47.8	Very low	115 Å²	115	101.3 Å²	101.3	54%	0.537	58%	0.577	S	S	.	*	H	α-helix	trans	-89.1	-36.7	-179.5	-63.3	-176.6	144.7	0	0	112.2	S394 K395	E392-S394 VanDerWaalsContact C-N 3.29Å; E392-S394 PolarHBondContact O-N 3.4Å; E392-K395 PolarHBondContact O-N 3.36Å
393	T	49.3	Very low	49.5	Very low	96 Å²	96	98.8 Å²	98.8	59%	0.589	55%	0.545	S	S	*	.	H	α-helix	trans	-63.8	-34	177.4	49	0	0	0	0	112.7	T390 K395 L396 Q397	T390-T393 PolarHBondContact O-OG1 3.36Å; T390-T393 VanDerWaalsContact O-OG1 3.14Å; T393-K395 PolarHBondContact O-N 2.93Å; T393-L396 PolarHBondContact O-N 3.05Å; T393-Q397 WeakPolarHBondContact O-CB 3.4Å; T393-Q397 PolarHBondContact O-N 3.21Å
394	S	57.1	Low	50.8	Low	65 Å²	65	99.1 Å²	99.1	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-56.2	-47.5	174.7	177.7	0	0	0	0	112	E392 L396 Q397 Q398	E392-S394 VanDerWaalsContact C-N 3.29Å; E392-S394 PolarHBondContact O-N 3.4Å; S394-L396 PolarHBondContact O-N 3.31Å; S394-Q397 PolarHBondContact O-N 3.44Å; S394-Q398 WeakPolarHBondContact O-CB 3.47Å; S394-Q398 PolarHBondContact O-N 3.04Å
395	K	53.5	Low	52.2	Low	156 Å²	156	98.6 Å²	98.6	68%	0.678	52%	0.519	S	S	*	.	H	α-helix	trans	-63.2	-42.5	-178.3	-62.8	-179.4	-177.9	-179.8	0	112.3	E392 T393 L399	E392-K395 PolarHBondContact O-N 3.36Å; T393-K395 PolarHBondContact O-N 2.93Å; K395-L399 VanDerWaalsContact O-CB 3.3Å; K395-L399 WeakPolarHBondContact O-CB 3.45Å; K395-L399 PolarHBondContact O-N 3.29Å
396	L	59.1	Low	53	Low	30 Å²	30	98.8 Å²	98.8	16%	0.157	51%	0.513	C	S	.	.	H	α-helix	trans	-65.9	-39.4	176.2	-171.6	73.2	0	0	0	111.9	T393 S394 V400 T434	T393-L396 PolarHBondContact O-N 3.05Å; S394-L396 PolarHBondContact O-N 3.31Å; L396-V400 WeakPolarHBondContact O-CG2 3.44Å; L396-V400 PolarHBondContact O-N 2.96Å; L396-T434 HydrophobicContact CD1-CG2 3.84Å
397	Q	61.5	Low	54	Low	98 Å²	98	96.4 Å²	96.4	46%	0.458	50%	0.499	S	S	.	.	H	α-helix	trans	-69.6	-44.9	179.3	-175.5	65.1	17.2	0	0	111.4	T393 S394 L399 V400 E401	T393-Q397 WeakPolarHBondContact O-CB 3.4Å; T393-Q397 PolarHBondContact O-N 3.21Å; S394-Q397 PolarHBondContact O-N 3.44Å; Q397-L399 PolarHBondContact O-N 3.34Å; Q397-V400 PolarHBondContact O-N 3.46Å; Q397-E401 PolarHBondContact O-N 3.15Å
398	Q	64.8	Low	54.8	Low	116 Å²	116	98.2 Å²	98.2	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-70.8	-28.6	178.9	-164.3	171.9	17.1	0	0	112.7	S394 N402	S394-Q398 WeakPolarHBondContact O-CB 3.47Å; S394-Q398 PolarHBondContact O-N 3.04Å; Q398-N402 VanDerWaalsContact O-CB 3.26Å; Q398-N402 WeakPolarHBondContact O-CB 3.35Å; Q398-N402 PolarHBondContact O-N 2.85Å; Q398-N402 PolarHBondContact O-ND2 3.45Å
399	L	63.9	Low	55.8	Low	82 Å²	82	96.5 Å²	96.5	43%	0.429	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-45.8	168.8	179.6	60.6	0	0	0	111.4	K395 Q397 N402 I403	K395-L399 VanDerWaalsContact O-CB 3.3Å; K395-L399 WeakPolarHBondContact O-CB 3.45Å; K395-L399 PolarHBondContact O-N 3.29Å; Q397-L399 PolarHBondContact O-N 3.34Å; L399-N402 PolarHBondContact O-N 3.17Å; L399-I403 HydrophobicContact CD1-CD1 4.09Å; L399-I403 HydrophobicContact CG-CD1 3.97Å; L399-I403 WeakPolarHBondContact O-CD1 3.48Å; L399-I403 VanDerWaalsContact O-CG1 3.25Å; L399-I403 WeakPolarHBondContact O-CG1 3Å; L399-I403 PolarHBondContact O-N 3.38Å; L399-I403 VanDerWaalsContact O-N 3.08Å
400	V	64.4	Low	57	Low	16 Å²	16	93.6 Å²	93.6	10%	0.097	49%	0.493	C	S	.	.	H	α-helix	trans	-61	-45.1	175.6	169.5	0	0	0	0	110.9	L396 Q397 N402 I403 D404	L396-V400 WeakPolarHBondContact O-CG2 3.44Å; L396-V400 PolarHBondContact O-N 2.96Å; Q397-V400 PolarHBondContact O-N 3.46Å; V400-N402 VanDerWaalsContact C-N 3.34Å; V400-N402 PolarHBondContact O-N 3.02Å; V400-I403 WeakPolarHBondContact O-CB 3.4Å; V400-I403 PolarHBondContact O-N 3.19Å; V400-D404 PolarHBondContact O-N 3.11Å
401	E	63.3	Low	58.9	Low	90 Å²	90	90.2 Å²	90.2	42%	0.421	47%	0.471	S	S	.	.	H	α-helix	trans	-67.6	-32.5	-179.8	-158.9	-175.7	140.6	0	0	113.1	Q397 I403 K405	Q397-E401 PolarHBondContact O-N 3.15Å; E401-I403 VanDerWaalsContact C-N 3.3Å; E401-K405 WeakPolarHBondContact O-CB 3.16Å; E401-K405 WeakPolarHBondContact O-CG 3.23Å; E401-K405 PolarHBondContact O-N 3.27Å; E401-K405 IonicContact OE1-NZ 3.25Å; E401-K405 PolarHBondContact OE1-NZ 3.42Å
402	N	58.8	Low	60.5	Low	74 Å²	74	88.7 Å²	88.7	40%	0.396	45%	0.454	S	S	.	.	H	α-helix	trans	-73.2	-17.5	170.9	-83.9	-34.3	0	0	0	113.9	Q398 L399 V400 K406	Q398-N402 VanDerWaalsContact O-CB 3.26Å; Q398-N402 WeakPolarHBondContact O-CB 3.35Å; Q398-N402 PolarHBondContact O-N 2.85Å; Q398-N402 PolarHBondContact O-ND2 3.45Å; L399-N402 PolarHBondContact O-N 3.17Å; V400-N402 VanDerWaalsContact C-N 3.34Å; V400-N402 PolarHBondContact O-N 3.02Å; N402-K406 WeakPolarHBondContact O-CB 3.38Å; N402-K406 VanDerWaalsContact O-CD 3.32Å; N402-K406 WeakPolarHBondContact O-CD 3.26Å; N402-K406 VanDerWaalsContact O-CG 3.22Å; N402-K406 WeakPolarHBondContact O-CG 3.42Å
403	I	62.1	Low	62.3	Low	24 Å²	24	83.2 Å²	83.2	12%	0.123	43%	0.429	C	S	.	.	H	α-helix	trans	-85.8	-46.5	173.1	-69.5	160	0	0	0	109.9	L399 V400 E401 K405 K406 M407 V414 Y430	L399-I403 HydrophobicContact CD1-CD1 4.09Å; L399-I403 HydrophobicContact CG-CD1 3.97Å; L399-I403 WeakPolarHBondContact O-CD1 3.48Å; L399-I403 VanDerWaalsContact O-CG1 3.25Å; L399-I403 WeakPolarHBondContact O-CG1 3Å; L399-I403 PolarHBondContact O-N 3.38Å; L399-I403 VanDerWaalsContact O-N 3.08Å; V400-I403 WeakPolarHBondContact O-CB 3.4Å; V400-I403 PolarHBondContact O-N 3.19Å; E401-I403 VanDerWaalsContact C-N 3.3Å; I403-K405 PolarHBondContact O-N 3.34Å; I403-K405 VanDerWaalsContact O-N 3.15Å; I403-K406 PolarHBondContact O-N 2.88Å; I403-M407 HydrophobicContact CG2-CG 4.15Å; I403-M407 HydrophobicContact CG2-SD 3.87Å; I403-M407 PolarHBondContact O-N 2.85Å; I403-V414 HydrophobicContact CD1-CG2 3.86Å; I403-V414 HydrophobicContact CG1-CG2 3.96Å; I403-V414 HydrophobicContact CG2-CG2 4.1Å; I403-Y430 HydrophobicContact CD1-CE1 4.45Å
404	D	56.3	Low	63.8	Low	87 Å²	87	81.3 Å²	81.3	47%	0.465	42%	0.417	S	S	.	.	H	α-helix	trans	-58.9	-26.3	176.7	-71.7	-19.6	0	0	0	112.2	V400 Q423	V400-D404 PolarHBondContact O-N 3.11Å; D404-Q423 PolarHBondContact OD1-NE2 3.34Å; D404-Q423 PolarHBondContact OD2-NE2 2.04Å
405	K	59.3	Low	65	Low	144 Å²	144	82.7 Å²	82.7	63%	0.626	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-2.8	174	-79.4	168.7	174.5	157.9	0	115.4	E401 I403	E401-K405 WeakPolarHBondContact O-CB 3.16Å; E401-K405 WeakPolarHBondContact O-CG 3.23Å; E401-K405 PolarHBondContact O-N 3.27Å; E401-K405 IonicContact OE1-NZ 3.25Å; E401-K405 PolarHBondContact OE1-NZ 3.42Å; I403-K405 PolarHBondContact O-N 3.34Å; I403-K405 VanDerWaalsContact O-N 3.15Å
406	K	54.6	Low	66.3	Low	161 Å²	161	77.9 Å²	77.9	70%	0.7	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.2	0.6	-166.9	-63.1	-173.2	-172.6	-171.8	0	116.6	N402 I403	N402-K406 WeakPolarHBondContact O-CB 3.38Å; N402-K406 VanDerWaalsContact O-CD 3.32Å; N402-K406 WeakPolarHBondContact O-CD 3.26Å; N402-K406 VanDerWaalsContact O-CG 3.22Å; N402-K406 WeakPolarHBondContact O-CG 3.42Å; I403-K406 PolarHBondContact O-N 2.88Å
407	M	52	Low	67.3	Low	72 Å²	72	82.1 Å²	82.1	36%	0.355	42%	0.423	S	S	.	.			trans	-119.2	128.6	-176.5	-75.9	-159.7	145.4	0	0	114.3	I403 D409 V414	I403-M407 HydrophobicContact CG2-CG 4.15Å; I403-M407 HydrophobicContact CG2-SD 3.87Å; I403-M407 PolarHBondContact O-N 2.85Å; M407-D409 PolarHBondContact O-N 2.8Å; M407-V414 HydrophobicContact CE-CB 4.18Å; M407-V414 HydrophobicContact CE-CG1 4.01Å; M407-V414 HydrophobicContact CE-CG2 3.48Å; M407-V414 VanDerWaalsContact CE-CG2 3.48Å; M407-V414 HydrophobicContact SD-CG2 3.7Å
408	T	57	Low	68.3	Low	146 Å²	146	84.9 Å²	84.9	90%	0.896	43%	0.429	S	S	*	.	S	Bend	trans	-67.5	-21.7	173.9	-35.6	0	0	0	0	113
409	D	56.4	Low	69.2	Low	106 Å²	106	84 Å²	84	57%	0.567	43%	0.431	S	S	*	.			trans	-114.3	103	179	-85.8	-63.6	0	0	0	111.4	M407 N411	M407-D409 PolarHBondContact O-N 2.8Å; D409-N411 PolarHBondContact O-N 2.99Å
410	P	71.8	Confident	70.3	Confident	89 Å²	89	81.7 Å²	81.7	58%	0.578	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	11.8	-170.2	30.3	-37.7	0	0	0	115.1
411	N	75.4	Confident	70.9	Confident	47 Å²	47	86.2 Å²	86.2	25%	0.251	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	0.1	-167.6	-87.1	-43.9	0	0	0	114.3	D409 V419 L420 C422 Q423	D409-N411 PolarHBondContact O-N 2.99Å; N411-V419 HydrophobicContact CB-CG1 4.25Å; N411-V419 WeakPolarHBondContact O-CA 3.48Å; N411-L420 WeakPolarHBondContact CB-O 3.24Å; N411-L420 PolarHBondContact O-N 3.37Å; N411-C422 WeakPolarHBondContact OD1-CA 3.36Å; N411-C422 PolarHBondContact OD1-N 3.27Å; N411-Q423 PolarHBondContact OD1-N 3.08Å
412	Q	83.3	Confident	71.9	Confident	48 Å²	48	84.2 Å²	84.2	22%	0.224	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-92.3	142.6	178.4	-161.1	-176.8	77.6	0	0	112.4	H417 V419 Y430	Q412-H417 HydrophobicContact CG-CB 4.47Å; Q412-H417 WeakPolarHBondContact CG-O 3.45Å; Q412-H417 PolarHBondContact NE2-O 3.47Å; Q412-H417 PolarHBondContact OE1-ND1 2.89Å; Q412-V419 HydrophobicContact CB-CG2 4.33Å; Q412-V419 HydrophobicContact CG-CG2 4.1Å; Q412-Y430 PolarHBondContact O-OH 3.25Å
413	C	84.2	Confident	72.8	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	45%	0.449	C	S	.	.			trans	-88.1	113.7	173	-173	0	0	0	0	111.8	I415 C416 H417 R418 L420 L426 Y430 H433	C413-I415 PolarHBondContact O-N 3.03Å; C413-I415 VanDerWaalsContact O-N 3.07Å; C413-C416 PolarHBondContact O-N 3.43Å; C413-H417 VanDerWaalsContact O-CA 3.22Å; C413-H417 WeakPolarHBondContact O-CA 3.21Å; C413-H417 PolarHBondContact O-N 3.04Å; C413-R418 PolarHBondContact N-O 3.33Å; C413-L420 HydrophobicContact CB-CD1 4.3Å; C413-L426 HydrophobicContact CB-CD1 3.6Å; C413-Y430 WeakPolarHBondContact CA-OH 3.44Å; C413-Y430 HydrophobicContact CB-CE1 4.36Å; C413-Y430 VanDerWaalsContact SG-CD1 3.55Å; C413-Y430 WeakPolarHBondContact SG-CE1 3.36Å; C413-H433 PolarHBondContact SG-CD2 3.42Å; C413-H433 PolarHBondContact SG-NE2 3.21Å; C413-H433 VanDerWaalsContact SG-NE2 3.39Å
414	V	80.6	Confident	73.7	Confident	56 Å²	56	88.2 Å²	88.2	34%	0.339	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.9	-176.9	-163.6	0	0	0	0	113	I403 M407 H417 Y430	I403-V414 HydrophobicContact CD1-CG2 3.86Å; I403-V414 HydrophobicContact CG1-CG2 3.96Å; I403-V414 HydrophobicContact CG2-CG2 4.1Å; M407-V414 HydrophobicContact CE-CB 4.18Å; M407-V414 HydrophobicContact CE-CG1 4.01Å; M407-V414 HydrophobicContact CE-CG2 3.48Å; M407-V414 VanDerWaalsContact CE-CG2 3.48Å; M407-V414 HydrophobicContact SD-CG2 3.7Å; V414-H417 PolarHBondContact O-NE2 2.92Å; V414-Y430 VanDerWaalsContact CG2-OH 3.28Å; V414-Y430 WeakPolarHBondContact CG2-OH 3.45Å; V414-Y430 PolarHBondContact N-OH 2.86Å
415	I	83.2	Confident	74.9	Confident	94 Å²	94	85.5 Å²	85.5	48%	0.482	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-19.3	-172.6	-56.7	172.4	0	0	0	112.7	C413 Y430 H433	C413-I415 PolarHBondContact O-N 3.03Å; C413-I415 VanDerWaalsContact O-N 3.07Å; I415-Y430 HydrophobicContact CD1-CD1 4.01Å; I415-Y430 HydrophobicContact CD1-CE1 4.29Å; I415-Y430 HydrophobicContact CG1-CD1 4.5Å; I415-Y430 HydrophobicContact CG1-CE1 4.32Å; I415-H433 HydrophobicContact CB-CB 4.35Å; I415-H433 HydrophobicContact CD1-CB 3.67Å; I415-H433 HydrophobicContact CG2-CB 3.93Å
416	C	81.6	Confident	76.1	Confident	55 Å²	55	79 Å²	79	37%	0.372	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	6.4	-176.2	69.7	0	0	0	0	114.9	C413 R418 H429 H433	C413-C416 PolarHBondContact O-N 3.43Å; C416-R418 PolarHBondContact O-N 3.1Å; C416-R418 VanDerWaalsContact SG-CB 3.6Å; C416-H429 PolarHBondContact SG-NE2 3.49Å; C416-H433 PolarHBondContact SG-NE2 3.41Å
417	H	79.4	Confident	77.3	Confident	120 Å²	120	75.1 Å²	75.1	56%	0.556	42%	0.417	S	S	*	.			trans	49	15.4	-175.1	-59.3	-75	0	0	0	116.5	Q412 C413 V414 V419	Q412-H417 HydrophobicContact CG-CB 4.47Å; Q412-H417 WeakPolarHBondContact CG-O 3.45Å; Q412-H417 PolarHBondContact NE2-O 3.47Å; Q412-H417 PolarHBondContact OE1-ND1 2.89Å; C413-H417 VanDerWaalsContact O-CA 3.22Å; C413-H417 WeakPolarHBondContact O-CA 3.21Å; C413-H417 PolarHBondContact O-N 3.04Å; V414-H417 PolarHBondContact O-NE2 2.92Å; H417-V419 PolarHBondContact O-N 3.1Å
418	R	81.7	Confident	78.4	Confident	156 Å²	156	75.8 Å²	75.8	59%	0.589	42%	0.42	S	S	*	.			trans	-67.6	119.6	171.3	176.3	171.9	-77.9	-166.4	-5.6	109.5	C413 C416 L420	C413-R418 PolarHBondContact N-O 3.33Å; C416-R418 PolarHBondContact O-N 3.1Å; C416-R418 VanDerWaalsContact SG-CB 3.6Å; R418-L420 HydrophobicContact CB-CD1 4.4Å; R418-L420 HydrophobicContact CG-CD1 3.93Å; R418-L420 HydrophobicContact CG-CG 4.11Å; R418-L420 WeakPolarHBondContact O-CD1 3.19Å
419	V	83.9	Confident	79.6	Confident	96 Å²	96	70.1 Å²	70.1	58%	0.582	38%	0.383	S	S	*	.	B	Isolated β-bridge	trans	-72.8	133.7	162.7	-174.3	0	0	0	0	108.8	N411 Q412 H417	N411-V419 HydrophobicContact CB-CG1 4.25Å; N411-V419 WeakPolarHBondContact O-CA 3.48Å; Q412-V419 HydrophobicContact CB-CG2 4.33Å; Q412-V419 HydrophobicContact CG-CG2 4.1Å; H417-V419 PolarHBondContact O-N 3.1Å
420	L	87.9	Confident	80.6	Confident	35 Å²	35	65.7 Å²	65.7	18%	0.183	36%	0.359	C	S	.	.			trans	-117.5	162	173.6	-68.6	105.4	0	0	0	110.5	N411 C413 R418 C422 A425 L426 H429	N411-L420 WeakPolarHBondContact CB-O 3.24Å; N411-L420 PolarHBondContact O-N 3.37Å; C413-L420 HydrophobicContact CB-CD1 4.3Å; R418-L420 HydrophobicContact CB-CD1 4.4Å; R418-L420 HydrophobicContact CG-CD1 3.93Å; R418-L420 HydrophobicContact CG-CG 4.11Å; R418-L420 WeakPolarHBondContact O-CD1 3.19Å; L420-C422 PolarHBondContact O-N 3.35Å; L420-A425 HydrophobicContact CB-CB 4.25Å; L420-A425 HydrophobicContact CD2-CB 4.19Å; L420-L426 HydrophobicContact CD1-CB 4.5Å; L420-L426 HydrophobicContact CD1-CD1 3.85Å; L420-H429 HydrophobicContact CD1-CB 3.97Å; L420-H429 HydrophobicContact CD2-CB 3.75Å
421	S	76.4	Confident	81	Confident	110 Å²	110	64 Å²	64	77%	0.769	34%	0.341	S	S	*	.	S	Bend	trans	-71.6	-13.7	-171.9	55.7	0	0	0	0	115.2
422	C	83.1	Confident	81.1	Confident	48 Å²	48	66.4 Å²	66.4	32%	0.324	36%	0.357	S	S	.	.	S	Bend	trans	-167.1	154.7	-178.9	53.1	0	0	0	0	111.9	N411 L420 S424 A425 L426	N411-C422 WeakPolarHBondContact OD1-CA 3.36Å; N411-C422 PolarHBondContact OD1-N 3.27Å; L420-C422 PolarHBondContact O-N 3.35Å; C422-S424 PolarHBondContact O-N 3.43Å; C422-S424 VanDerWaalsContact O-N 3.12Å; C422-S424 PolarHBondContact SG-OG 2.77Å; C422-S424 VanDerWaalsContact SG-OG 3.37Å; C422-A425 WeakPolarHBondContact O-CB 3.15Å; C422-A425 PolarHBondContact O-N 2.95Å; C422-A425 VanDerWaalsContact SG-CB 3.56Å; C422-L426 PolarHBondContact O-N 3.22Å
423	Q	79.4	Confident	80.6	Confident	97 Å²	97	67.3 Å²	67.3	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-56.5	-29.2	179	-156.4	-157	31.2	0	0	113	D404 N411 L426 K427	D404-Q423 PolarHBondContact OD1-NE2 3.34Å; D404-Q423 PolarHBondContact OD2-NE2 2.04Å; N411-Q423 PolarHBondContact OD1-N 3.08Å; Q423-L426 WeakPolarHBondContact O-CB 3.17Å; Q423-L426 PolarHBondContact O-N 3.48Å; Q423-K427 WeakPolarHBondContact O-CB 3.07Å; Q423-K427 PolarHBondContact O-N 3.31Å
424	S	79.6	Confident	80.1	Confident	85 Å²	85	69.7 Å²	69.7	59%	0.594	38%	0.376	S	S	*	.	H	α-helix	trans	-73.9	-37.8	175.6	59.9	0	0	0	0	113.2	C422 L426 M428	C422-S424 PolarHBondContact O-N 3.43Å; C422-S424 VanDerWaalsContact O-N 3.12Å; C422-S424 PolarHBondContact SG-OG 2.77Å; C422-S424 VanDerWaalsContact SG-OG 3.37Å; S424-L426 VanDerWaalsContact C-N 3.32Å; S424-M428 WeakPolarHBondContact O-CB 3.34Å; S424-M428 WeakPolarHBondContact O-CG 3.48Å; S424-M428 PolarHBondContact O-N 3.23Å
425	A	81.7	Confident	79.7	Confident	30 Å²	30	69.1 Å²	69.1	25%	0.248	38%	0.382	C	S	.	.	H	α-helix	trans	-66.6	-37	169.3	0	0	0	0	0	111.1	L420 C422 M428 H429	L420-A425 HydrophobicContact CB-CB 4.25Å; L420-A425 HydrophobicContact CD2-CB 4.19Å; C422-A425 WeakPolarHBondContact O-CB 3.15Å; C422-A425 PolarHBondContact O-N 2.95Å; C422-A425 VanDerWaalsContact SG-CB 3.56Å; A425-M428 WeakPolarHBondContact O-CB 3.39Å; A425-M428 PolarHBondContact O-N 2.95Å; A425-H429 WeakPolarHBondContact O-CB 3.26Å; A425-H429 PolarHBondContact O-N 3.24Å
426	L	84.1	Confident	79.1	Confident	8 Å²	8	67.7 Å²	67.7	4%	0.042	37%	0.373	C	S	.	.	H	α-helix	trans	-63.7	-50.5	174.4	176.2	61.3	0	0	0	112.4	C413 L420 C422 Q423 S424 M428 H429 Y430	C413-L426 HydrophobicContact CB-CD1 3.6Å; L420-L426 HydrophobicContact CD1-CB 4.5Å; L420-L426 HydrophobicContact CD1-CD1 3.85Å; C422-L426 PolarHBondContact O-N 3.22Å; Q423-L426 WeakPolarHBondContact O-CB 3.17Å; Q423-L426 PolarHBondContact O-N 3.48Å; S424-L426 VanDerWaalsContact C-N 3.32Å; L426-M428 PolarHBondContact O-N 2.91Å; L426-H429 WeakPolarHBondContact O-CA 3.48Å; L426-H429 WeakPolarHBondContact O-CB 3.46Å; L426-H429 PolarHBondContact O-N 3.41Å; L426-Y430 HydrophobicContact CD1-CD2 3.99Å; L426-Y430 HydrophobicContact CD1-CE2 3.47Å; L426-Y430 VanDerWaalsContact CD1-CE2 3.47Å; L426-Y430 HydrophobicContact CD2-CE2 4.04Å; L426-Y430 HydrophobicContact CG-CD2 3.97Å; L426-Y430 HydrophobicContact CG-CE2 3.51Å; L426-Y430 VanDerWaalsContact O-CD2 3.3Å; L426-Y430 WeakPolarHBondContact O-CD2 3.48Å; L426-Y430 PolarHBondContact O-N 3.3Å
427	K	80	Confident	78.8	Confident	80 Å²	80	71.6 Å²	71.6	35%	0.348	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-31.2	175.3	-167.2	160.9	-172.4	162.5	0	112.1	Q423 R431	Q423-K427 WeakPolarHBondContact O-CB 3.07Å; Q423-K427 PolarHBondContact O-N 3.31Å; K427-R431 WeakPolarHBondContact O-CG 3.49Å
428	M	76.6	Confident	78.5	Confident	85 Å²	85	69.4 Å²	69.4	42%	0.419	38%	0.376	S	S	.	.	H	α-helix	trans	-70.3	-37.2	168.6	-85.2	-63	-55.9	0	0	113.3	S424 A425 L426 R431 T450	S424-M428 WeakPolarHBondContact O-CB 3.34Å; S424-M428 WeakPolarHBondContact O-CG 3.48Å; S424-M428 PolarHBondContact O-N 3.23Å; A425-M428 WeakPolarHBondContact O-CB 3.39Å; A425-M428 PolarHBondContact O-N 2.95Å; L426-M428 PolarHBondContact O-N 2.91Å; M428-R431 PolarHBondContact O-N 3.17Å; M428-T450 HydrophobicContact CE-CG2 3.53Å; M428-T450 HydrophobicContact SD-CG2 3.59Å; M428-T450 VanDerWaalsContact SD-CG2 3.59Å
429	H	81	Confident	78.5	Confident	28 Å²	28	64.9 Å²	64.9	13%	0.13	36%	0.361	C	S	.	.	H	α-helix	trans	-71.1	-39	179.4	-174.9	45.9	0	0	0	112.6	C416 L420 A425 L426 R431 T432 H433	C416-H429 PolarHBondContact SG-NE2 3.49Å; L420-H429 HydrophobicContact CD1-CB 3.97Å; L420-H429 HydrophobicContact CD2-CB 3.75Å; A425-H429 WeakPolarHBondContact O-CB 3.26Å; A425-H429 PolarHBondContact O-N 3.24Å; L426-H429 WeakPolarHBondContact O-CA 3.48Å; L426-H429 WeakPolarHBondContact O-CB 3.46Å; L426-H429 PolarHBondContact O-N 3.41Å; H429-R431 PolarHBondContact O-N 2.99Å; H429-R431 VanDerWaalsContact O-N 3.13Å; H429-T432 PolarHBondContact ND1-OG1 3.22Å; H429-T432 WeakPolarHBondContact O-CA 3.49Å; H429-T432 WeakPolarHBondContact O-CB 3.48Å; H429-T432 PolarHBondContact O-N 3.01Å; H429-T432 PolarHBondContact O-OG1 3.17Å; H429-H433 AromaticContact CD2-NE2 3.8Å; H429-H433 AromaticContact CE1-NE2 3.74Å; H429-H433 AromaticContact NE2-CE1 3.87Å; H429-H433 AromaticContact NE2-NE2 3.29Å; H429-H433 PolarHBondContact NE2-NE2 2.8Å
430	Y	78	Confident	78.2	Confident	13 Å²	13	67 Å²	67	5%	0.051	36%	0.362	C	S	.	.	H	α-helix	trans	-53.8	-33.3	175	-80.6	-62.8	0	0	0	113.1	I403 Q412 C413 V414 I415 L426 T432 H433 T434	I403-Y430 HydrophobicContact CD1-CE1 4.45Å; Q412-Y430 PolarHBondContact O-OH 3.25Å; C413-Y430 WeakPolarHBondContact CA-OH 3.44Å; C413-Y430 HydrophobicContact CB-CE1 4.36Å; C413-Y430 VanDerWaalsContact SG-CD1 3.55Å; C413-Y430 WeakPolarHBondContact SG-CE1 3.36Å; V414-Y430 VanDerWaalsContact CG2-OH 3.28Å; V414-Y430 WeakPolarHBondContact CG2-OH 3.45Å; V414-Y430 PolarHBondContact N-OH 2.86Å; I415-Y430 HydrophobicContact CD1-CD1 4.01Å; I415-Y430 HydrophobicContact CD1-CE1 4.29Å; I415-Y430 HydrophobicContact CG1-CD1 4.5Å; I415-Y430 HydrophobicContact CG1-CE1 4.32Å; L426-Y430 HydrophobicContact CD1-CD2 3.99Å; L426-Y430 HydrophobicContact CD1-CE2 3.47Å; L426-Y430 VanDerWaalsContact CD1-CE2 3.47Å; L426-Y430 HydrophobicContact CD2-CE2 4.04Å; L426-Y430 HydrophobicContact CG-CD2 3.97Å; L426-Y430 HydrophobicContact CG-CE2 3.51Å; L426-Y430 VanDerWaalsContact O-CD2 3.3Å; L426-Y430 WeakPolarHBondContact O-CD2 3.48Å; L426-Y430 PolarHBondContact O-N 3.3Å; Y430-T432 PolarHBondContact O-N 3.47Å; Y430-T432 VanDerWaalsContact O-N 3.14Å; Y430-H433 PolarHBondContact O-N 3.22Å; Y430-T434 PolarHBondContact O-N 2.77Å
431	R	79.4	Confident	78.1	Confident	54 Å²	54	65.4 Å²	65.4	20%	0.204	35%	0.354	C	S	.	.	H	α-helix	trans	-68.6	-7.2	175.2	-48.4	-176.3	78.4	140	15	114.3	K427 M428 H429 T449	K427-R431 WeakPolarHBondContact O-CG 3.49Å; M428-R431 PolarHBondContact O-N 3.17Å; H429-R431 PolarHBondContact O-N 2.99Å; H429-R431 VanDerWaalsContact O-N 3.13Å; R431-T449 HydrophobicContact CB-CG2 4.25Å; R431-T449 PolarHBondContact NE-O 2.91Å; R431-T449 PolarHBondContact NH1-O 2.98Å
432	T	77.6	Confident	78.2	Confident	97 Å²	97	69.8 Å²	69.8	60%	0.595	36%	0.359	S	S	*	.	H	α-helix	trans	-78.7	-35.8	168.3	-37.1	0	0	0	0	110.4	H429 Y430	H429-T432 PolarHBondContact ND1-OG1 3.22Å; H429-T432 WeakPolarHBondContact O-CA 3.49Å; H429-T432 WeakPolarHBondContact O-CB 3.48Å; H429-T432 PolarHBondContact O-N 3.01Å; H429-T432 PolarHBondContact O-OG1 3.17Å; Y430-T432 PolarHBondContact O-N 3.47Å; Y430-T432 VanDerWaalsContact O-N 3.14Å
433	H	73.6	Confident	77.9	Confident	67 Å²	67	72.7 Å²	72.7	31%	0.31	37%	0.37	S	S	.	.	H	α-helix	trans	-85.4	-43.1	-176.8	-58.9	-51.4	0	0	0	112.4	C413 I415 C416 H429 Y430 G435	C413-H433 PolarHBondContact SG-CD2 3.42Å; C413-H433 PolarHBondContact SG-NE2 3.21Å; C413-H433 VanDerWaalsContact SG-NE2 3.39Å; I415-H433 HydrophobicContact CB-CB 4.35Å; I415-H433 HydrophobicContact CD1-CB 3.67Å; I415-H433 HydrophobicContact CG2-CB 3.93Å; C416-H433 PolarHBondContact SG-NE2 3.41Å; H429-H433 AromaticContact CD2-NE2 3.8Å; H429-H433 AromaticContact CE1-NE2 3.74Å; H429-H433 AromaticContact NE2-CE1 3.87Å; H429-H433 AromaticContact NE2-NE2 3.29Å; H429-H433 PolarHBondContact NE2-NE2 2.8Å; Y430-H433 PolarHBondContact O-N 3.22Å; H433-G435 PolarHBondContact O-N 3.4Å
434	T	72.4	Confident	78	Confident	49 Å²	49	70.9 Å²	70.9	30%	0.301	37%	0.368	S	S	.	.	S	Bend	trans	-71.1	-14.6	176	66	0	0	0	0	112.8	L396 Y430 E436	L396-T434 HydrophobicContact CD1-CG2 3.84Å; Y430-T434 PolarHBondContact O-N 2.77Å; T434-E436 PolarHBondContact O-N 2.99Å
435	G	73.3	Confident	78	Confident	45 Å²	45	69.5 Å²	69.5	46%	0.464	37%	0.367	S	S	.	.			trans	67.1	-9	-178.5	0	0	0	0	0	115	H433 R437	H433-G435 PolarHBondContact O-N 3.4Å; G435-R437 WeakPolarHBondContact O-CG 3.36Å; G435-R437 PolarHBondContact O-N 2.86Å
436	E	70.9	Confident	78	Confident	64 Å²	64	76 Å²	76	30%	0.299	39%	0.385	S	S	.	.			trans	-59.1	116.6	-173.9	-72.6	171	-171.2	0	0	112.3	T434 P438	T434-E436 PolarHBondContact O-N 2.99Å; E436-P438 WeakPolarHBondContact O-CD 3.21Å
437	R	74.3	Confident	78	Confident	137 Å²	137	77 Å²	77	52%	0.517	39%	0.394	S	S	.	.			trans	-124.6	75.9	179.7	-73.9	165.6	169.3	-130.3	10.9	110.2	G435 F439 A447 F448 T449	G435-R437 WeakPolarHBondContact O-CG 3.36Å; G435-R437 PolarHBondContact O-N 2.86Å; R437-F439 PolarHBondContact O-N 3.33Å; R437-A447 HydrophobicContact CB-CB 3.49Å; R437-A447 VanDerWaalsContact CB-CB 3.49Å; R437-A447 WeakPolarHBondContact CD-O 3.41Å; R437-A447 HydrophobicContact CG-CB 4.42Å; R437-A447 PolarHBondContact NH1-O 3.35Å; R437-F448 CarbonylContact C-O 3.49Å; R437-F448 VanDerWaalsContact CA-O 3.27Å; R437-F448 WeakPolarHBondContact CA-O 3.47Å; R437-T449 HydrophobicContact CG-CG2 3.72Å
438	P	74.4	Confident	78.1	Confident	73 Å²	73	74.8 Å²	74.8	47%	0.474	39%	0.385	S	S	.	.			trans	-61.5	-27.9	-176.8	-23.5	34.9	0	0	0	113.2	E436 K440	E436-P438 WeakPolarHBondContact O-CD 3.21Å; P438-K440 PolarHBondContact O-N 3.18Å
439	F	80.7	Confident	78.2	Confident	61 Å²	61	72.1 Å²	72.1	27%	0.268	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	77.8	-171.1	-55.7	-74.5	0	0	0	110.8	R437 F448 T450 K451 L454	R437-F439 PolarHBondContact O-N 3.33Å; F439-F448 HydrophobicContact CB-CB 4.3Å; F439-F448 WeakPolarHBondContact CB-O 3.42Å; F439-F448 PolarHBondContact N-O 3.12Å; F439-F448 WeakPolarHBondContact O-CD2 3.4Å; F439-F448 PolarHBondContact O-N 2.98Å; F439-T450 VanDerWaalsContact CD2-CA 3.47Å; F439-K451 HydrophobicContact CD1-CB 3.94Å; F439-K451 HydrophobicContact CD1-CG 4.35Å; F439-K451 HydrophobicContact CE1-CB 3.7Å; F439-K451 HydrophobicContact CE1-CD 4.48Å; F439-K451 HydrophobicContact CE1-CG 4.2Å; F439-K451 HydrophobicContact CG-CB 4.47Å; F439-K451 HydrophobicContact CZ-CB 4.03Å; F439-L454 HydrophobicContact CB-CB 3.88Å; F439-L454 HydrophobicContact CB-CD2 3.73Å; F439-L454 HydrophobicContact CB-CG 4.41Å
440	K	77.5	Confident	78.1	Confident	141 Å²	141	72 Å²	72	61%	0.613	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.9	175.7	-64.2	171.3	-174.9	168.1	0	111.3	P438 A447	P438-K440 PolarHBondContact O-N 3.18Å; K440-A447 HydrophobicContact CG-CB 3.95Å
441	C	86.3	Confident	78.2	Confident	2 Å²	2	79 Å²	79	1%	0.014	41%	0.405	C	S	.	.			trans	-79	120.6	174.5	-174.8	0	0	0	0	110.9	I443 G445 R446 F448 L454 F458	C441-I443 PolarHBondContact O-N 3.37Å; C441-I443 VanDerWaalsContact O-N 3.12Å; C441-G445 WeakPolarHBondContact O-CA 3.49Å; C441-G445 PolarHBondContact O-N 2.89Å; C441-R446 WeakPolarHBondContact CB-O 3.41Å; C441-R446 PolarHBondContact N-O 3.43Å; C441-F448 HydrophobicContact CB-CE2 4.19Å; C441-L454 HydrophobicContact CB-CD1 3.57Å; C441-F458 VanDerWaalsContact SG-CE1 3.55Å
442	K	78.7	Confident	78.4	Confident	201 Å²	201	78.4 Å²	78.4	87%	0.874	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.8	-179.3	-64.6	-167.6	175.1	-168.6	0	114.4
443	I	77.3	Confident	78.5	Confident	110 Å²	110	77.4 Å²	77.4	56%	0.564	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-26.3	-171.3	-58	172.1	0	0	0	112.5	C441 F458 H461	C441-I443 PolarHBondContact O-N 3.37Å; C441-I443 VanDerWaalsContact O-N 3.12Å; I443-F458 HydrophobicContact CD1-CD1 4.13Å; I443-F458 HydrophobicContact CD1-CE1 4.18Å; I443-F458 HydrophobicContact CG1-CE1 4.35Å; I443-H461 HydrophobicContact CB-CB 4.38Å; I443-H461 HydrophobicContact CD1-CB 3.53Å; I443-H461 HydrophobicContact CG2-CB 4.13Å; I443-H461 WeakPolarHBondContact CG2-ND1 3.4Å
444	C	81.3	Confident	79.1	Confident	58 Å²	58	75 Å²	75	39%	0.392	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	8.4	-178	70.4	0	0	0	0	114.7	R446 H457 H461	C444-R446 PolarHBondContact O-N 3.01Å; C444-H457 PolarHBondContact SG-NE2 3.45Å; C444-H461 PolarHBondContact SG-NE2 2.91Å
445	G	79.7	Confident	79.5	Confident	56 Å²	56	80.8 Å²	80.8	58%	0.577	42%	0.417	S	S	*	.			trans	68.7	-13.7	-178.8	0	0	0	0	0	116.2	C441 A447	C441-G445 WeakPolarHBondContact O-CA 3.49Å; C441-G445 PolarHBondContact O-N 2.89Å; G445-A447 PolarHBondContact O-N 2.92Å
446	R	81.8	Confident	79.9	Confident	168 Å²	168	83.5 Å²	83.5	63%	0.634	43%	0.425	S	S	*	.			trans	-57.5	125.3	-176.5	-76.2	-174.4	162.4	-167.2	-4.8	111.5	C441 C444 F448	C441-R446 WeakPolarHBondContact CB-O 3.41Å; C441-R446 PolarHBondContact N-O 3.43Å; C444-R446 PolarHBondContact O-N 3.01Å; R446-F448 HydrophobicContact CB-CE2 3.64Å; R446-F448 HydrophobicContact CB-CZ 3.89Å; R446-F448 VanDerWaalsContact O-CD2 3.29Å; R446-F448 WeakPolarHBondContact O-CD2 3.28Å; R446-F448 WeakPolarHBondContact O-CE2 3.49Å
447	A	83.2	Confident	80.5	Confident	27 Å²	27	81.7 Å²	81.7	22%	0.223	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137	178.3	0	0	0	0	0	111.2	R437 K440 G445	R437-A447 HydrophobicContact CB-CB 3.49Å; R437-A447 VanDerWaalsContact CB-CB 3.49Å; R437-A447 WeakPolarHBondContact CD-O 3.41Å; R437-A447 HydrophobicContact CG-CB 4.42Å; R437-A447 PolarHBondContact NH1-O 3.35Å; K440-A447 HydrophobicContact CG-CB 3.95Å; G445-A447 PolarHBondContact O-N 2.92Å
448	F	82	Confident	80.7	Confident	35 Å²	35	78.2 Å²	78.2	15%	0.154	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.1	-179.5	-62.6	-90.6	0	0	0	112	R437 F439 C441 R446 T450 N453 L454 H457	R437-F448 CarbonylContact C-O 3.49Å; R437-F448 VanDerWaalsContact CA-O 3.27Å; R437-F448 WeakPolarHBondContact CA-O 3.47Å; F439-F448 HydrophobicContact CB-CB 4.3Å; F439-F448 WeakPolarHBondContact CB-O 3.42Å; F439-F448 PolarHBondContact N-O 3.12Å; F439-F448 WeakPolarHBondContact O-CD2 3.4Å; F439-F448 PolarHBondContact O-N 2.98Å; C441-F448 HydrophobicContact CB-CE2 4.19Å; R446-F448 HydrophobicContact CB-CE2 3.64Å; R446-F448 HydrophobicContact CB-CZ 3.89Å; R446-F448 VanDerWaalsContact O-CD2 3.29Å; R446-F448 WeakPolarHBondContact O-CD2 3.28Å; R446-F448 WeakPolarHBondContact O-CE2 3.49Å; F448-T450 VanDerWaalsContact C-N 3.34Å; F448-N453 HydrophobicContact CB-CB 4.26Å; F448-N453 HydrophobicContact CD1-CB 4.03Å; F448-N453 HydrophobicContact CG-CB 4.46Å; F448-L454 HydrophobicContact CB-CB 4.33Å; F448-L454 HydrophobicContact CD2-CB 4.28Å; F448-L454 HydrophobicContact CD2-CD1 3.98Å; F448-L454 HydrophobicContact CE2-CD1 4.31Å; F448-L454 HydrophobicContact CG-CB 4.48Å; F448-H457 HydrophobicContact CE1-CB 4.09Å; F448-H457 HydrophobicContact CE2-CB 3.95Å; F448-H457 AromaticContact CE2-CD2 3.32Å; F448-H457 WeakPolarHBondContact CE2-CD2 3.46Å; F448-H457 AromaticContact CE2-CG 3.73Å; F448-H457 HydrophobicContact CZ-CB 3.61Å; F448-H457 AromaticContact CZ-CD2 3.3Å; F448-H457 WeakPolarHBondContact CZ-CD2 3.28Å; F448-H457 AromaticContact CZ-CG 3.31Å; F448-H457 AromaticContact CZ-ND1 3.97Å; F448-H457 AromaticContact CZ-NE2 3.93Å
449	T	78.1	Confident	81	Confident	28 Å²	28	77.2 Å²	77.2	17%	0.172	41%	0.408	C	S	.	.	S	Bend	trans	-76.2	-17.9	179.2	48.9	0	0	0	0	113.4	R431 R437	R431-T449 HydrophobicContact CB-CG2 4.25Å; R431-T449 PolarHBondContact NE-O 2.91Å; R431-T449 PolarHBondContact NH1-O 2.98Å; R437-T449 HydrophobicContact CG-CG2 3.72Å
450	T	79.1	Confident	80.6	Confident	26 Å²	26	79.6 Å²	79.6	16%	0.16	43%	0.427	C	S	.	.	S	Bend	trans	-137.9	149.6	179.9	72.6	0	0	0	0	113.4	M428 F439 F448 G452 N453 L454	M428-T450 HydrophobicContact CE-CG2 3.53Å; M428-T450 HydrophobicContact SD-CG2 3.59Å; M428-T450 VanDerWaalsContact SD-CG2 3.59Å; F439-T450 VanDerWaalsContact CD2-CA 3.47Å; F448-T450 VanDerWaalsContact C-N 3.34Å; T450-G452 PolarHBondContact O-N 3.33Å; T450-N453 PolarHBondContact O-N 3.42Å; T450-N453 WeakPolarHBondContact OG1-CB 3.38Å; T450-N453 PolarHBondContact OG1-N 3.15Å; T450-N453 PolarHBondContact OG1-ND2 2.82Å; T450-N453 PolarHBondContact OG1-OD1 3.19Å; T450-L454 PolarHBondContact O-N 3.2Å
451	K	80.7	Confident	80.5	Confident	160 Å²	160	75.5 Å²	75.5	70%	0.696	41%	0.41	S	S	*	.	H	α-helix	trans	-58.7	-33.1	171.8	-166	173.4	-178.1	176.2	0	112	F439 K455	F439-K451 HydrophobicContact CD1-CB 3.94Å; F439-K451 HydrophobicContact CD1-CG 4.35Å; F439-K451 HydrophobicContact CE1-CB 3.7Å; F439-K451 HydrophobicContact CE1-CD 4.48Å; F439-K451 HydrophobicContact CE1-CG 4.2Å; F439-K451 HydrophobicContact CG-CB 4.47Å; F439-K451 HydrophobicContact CZ-CB 4.03Å; K451-K455 WeakPolarHBondContact O-CB 3.35Å; K451-K455 PolarHBondContact O-N 3.12Å
452	G	82.9	Confident	79.6	Confident	42 Å²	42	85.8 Å²	85.8	43%	0.433	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-49	174.8	0	0	0	0	0	112.8	T450 L454 K455 T456	T450-G452 PolarHBondContact O-N 3.33Å; G452-L454 VanDerWaalsContact C-N 3.29Å; G452-L454 PolarHBondContact O-N 2.81Å; G452-K455 PolarHBondContact O-N 3.11Å; G452-K455 VanDerWaalsContact O-N 3.07Å; G452-T456 PolarHBondContact O-N 3.23Å; G452-T456 PolarHBondContact O-OG1 3.19Å
453	N	81.4	Confident	78.8	Confident	75 Å²	75	80.8 Å²	80.8	40%	0.401	45%	0.445	S	S	.	.	H	α-helix	trans	-66.3	-32.8	178.4	-67.2	-3.3	0	0	0	111.9	F448 T450 T456 H457	F448-N453 HydrophobicContact CB-CB 4.26Å; F448-N453 HydrophobicContact CD1-CB 4.03Å; F448-N453 HydrophobicContact CG-CB 4.46Å; T450-N453 PolarHBondContact O-N 3.42Å; T450-N453 WeakPolarHBondContact OG1-CB 3.38Å; T450-N453 PolarHBondContact OG1-N 3.15Å; T450-N453 PolarHBondContact OG1-ND2 2.82Å; T450-N453 PolarHBondContact OG1-OD1 3.19Å; N453-T456 PolarHBondContact O-OG1 3.13Å; N453-T456 VanDerWaalsContact O-OG1 3.11Å; N453-H457 VanDerWaalsContact O-CB 3.27Å; N453-H457 WeakPolarHBondContact O-CB 3.36Å; N453-H457 PolarHBondContact O-N 2.66Å
454	L	85.4	Confident	76.9	Confident	18 Å²	18	84.9 Å²	84.9	9%	0.094	46%	0.459	C	S	.	.	H	α-helix	trans	-68.5	-40.2	169.8	176.4	60	0	0	0	112	F439 C441 F448 T450 G452 H457 F458	F439-L454 HydrophobicContact CB-CB 3.88Å; F439-L454 HydrophobicContact CB-CD2 3.73Å; F439-L454 HydrophobicContact CB-CG 4.41Å; C441-L454 HydrophobicContact CB-CD1 3.57Å; F448-L454 HydrophobicContact CB-CB 4.33Å; F448-L454 HydrophobicContact CD2-CB 4.28Å; F448-L454 HydrophobicContact CD2-CD1 3.98Å; F448-L454 HydrophobicContact CE2-CD1 4.31Å; F448-L454 HydrophobicContact CG-CB 4.48Å; T450-L454 PolarHBondContact O-N 3.2Å; G452-L454 VanDerWaalsContact C-N 3.29Å; G452-L454 PolarHBondContact O-N 2.81Å; L454-H457 PolarHBondContact O-N 3.37Å; L454-F458 HydrophobicContact CD1-CD2 3.84Å; L454-F458 HydrophobicContact CD1-CE2 3.55Å; L454-F458 HydrophobicContact CD1-CG 4.48Å; L454-F458 HydrophobicContact CD1-CZ 3.96Å; L454-F458 HydrophobicContact CD2-CD2 4.48Å; L454-F458 HydrophobicContact CD2-CE2 3.75Å; L454-F458 HydrophobicContact CD2-CZ 4.42Å; L454-F458 HydrophobicContact CG-CD2 3.76Å; L454-F458 HydrophobicContact CG-CE2 3.48Å; L454-F458 VanDerWaalsContact CG-CE2 3.48Å; L454-F458 HydrophobicContact CG-CZ 4.32Å; L454-F458 VanDerWaalsContact O-CD2 3.31Å; L454-F458 WeakPolarHBondContact O-CD2 3.45Å; L454-F458 PolarHBondContact O-N 3.25Å
455	K	81.6	Confident	75.4	Confident	169 Å²	169	87 Å²	87	74%	0.735	47%	0.472	S	S	*	.	H	α-helix	trans	-65.3	-41.7	178.3	-172	175.9	179.9	-179.6	0	112.2	K451 G452 F458 G459	K451-K455 WeakPolarHBondContact O-CB 3.35Å; K451-K455 PolarHBondContact O-N 3.12Å; G452-K455 PolarHBondContact O-N 3.11Å; G452-K455 VanDerWaalsContact O-N 3.07Å; K455-F458 PolarHBondContact O-N 3.25Å; K455-G459 PolarHBondContact O-N 2.87Å
456	T	81.3	Confident	73.9	Confident	103 Å²	103	90.2 Å²	90.2	63%	0.632	48%	0.482	S	S	*	.	H	α-helix	trans	-67.1	-37.2	172.8	55	0	0	0	0	111.5	G452 N453 G459	G452-T456 PolarHBondContact O-N 3.23Å; G452-T456 PolarHBondContact O-OG1 3.19Å; N453-T456 PolarHBondContact O-OG1 3.13Å; N453-T456 VanDerWaalsContact O-OG1 3.11Å; T456-G459 WeakPolarHBondContact O-CA 3.2Å; T456-G459 PolarHBondContact O-N 2.9Å
457	H	83.2	Confident	72.3	Confident	25 Å²	25	89.2 Å²	89.2	12%	0.116	49%	0.489	C	S	.	.	H	α-helix	trans	-67.3	-34.5	174.7	-172.3	53.3	0	0	0	113.8	C444 F448 N453 L454 G459 V460 H461	C444-H457 PolarHBondContact SG-NE2 3.45Å; F448-H457 HydrophobicContact CE1-CB 4.09Å; F448-H457 HydrophobicContact CE2-CB 3.95Å; F448-H457 AromaticContact CE2-CD2 3.32Å; F448-H457 WeakPolarHBondContact CE2-CD2 3.46Å; F448-H457 AromaticContact CE2-CG 3.73Å; F448-H457 HydrophobicContact CZ-CB 3.61Å; F448-H457 AromaticContact CZ-CD2 3.3Å; F448-H457 WeakPolarHBondContact CZ-CD2 3.28Å; F448-H457 AromaticContact CZ-CG 3.31Å; F448-H457 AromaticContact CZ-ND1 3.97Å; F448-H457 AromaticContact CZ-NE2 3.93Å; N453-H457 VanDerWaalsContact O-CB 3.27Å; N453-H457 WeakPolarHBondContact O-CB 3.36Å; N453-H457 PolarHBondContact O-N 2.66Å; L454-H457 PolarHBondContact O-N 3.37Å; H457-G459 PolarHBondContact O-N 3.18Å; H457-V460 VanDerWaalsContact O-CB 3.27Å; H457-V460 WeakPolarHBondContact O-CB 3.41Å; H457-V460 PolarHBondContact O-N 2.7Å; H457-H461 AromaticContact CD2-NE2 3.59Å; H457-H461 AromaticContact CE1-NE2 3.47Å; H457-H461 PolarHBondContact CE1-NE2 3.15Å; H457-H461 AromaticContact NE2-CD2 3.86Å; H457-H461 AromaticContact NE2-CE1 3.94Å; H457-H461 AromaticContact NE2-NE2 2.99Å; H457-H461 PolarHBondContact NE2-NE2 3.13Å; H457-H461 PolarHBondContact O-CD2 3.27Å
458	F	78.9	Confident	70.6	Confident	64 Å²	64	97.4 Å²	97.4	28%	0.281	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-24	169.9	-81.9	-55.8	0	0	0	112.8	C441 I443 L454 K455 V460 H461 R462	C441-F458 VanDerWaalsContact SG-CE1 3.55Å; I443-F458 HydrophobicContact CD1-CD1 4.13Å; I443-F458 HydrophobicContact CD1-CE1 4.18Å; I443-F458 HydrophobicContact CG1-CE1 4.35Å; L454-F458 HydrophobicContact CD1-CD2 3.84Å; L454-F458 HydrophobicContact CD1-CE2 3.55Å; L454-F458 HydrophobicContact CD1-CG 4.48Å; L454-F458 HydrophobicContact CD1-CZ 3.96Å; L454-F458 HydrophobicContact CD2-CD2 4.48Å; L454-F458 HydrophobicContact CD2-CE2 3.75Å; L454-F458 HydrophobicContact CD2-CZ 4.42Å; L454-F458 HydrophobicContact CG-CD2 3.76Å; L454-F458 HydrophobicContact CG-CE2 3.48Å; L454-F458 VanDerWaalsContact CG-CE2 3.48Å; L454-F458 HydrophobicContact CG-CZ 4.32Å; L454-F458 VanDerWaalsContact O-CD2 3.31Å; L454-F458 WeakPolarHBondContact O-CD2 3.45Å; L454-F458 PolarHBondContact O-N 3.25Å; K455-F458 PolarHBondContact O-N 3.25Å; F458-V460 PolarHBondContact O-N 3.28Å; F458-H461 PolarHBondContact O-N 2.86Å; F458-H461 VanDerWaalsContact O-N 3.12Å; F458-R462 PolarHBondContact O-N 3.22Å; F458-R462 VanDerWaalsContact O-N 3.15Å
459	G	80.2	Confident	69.2	Low	53 Å²	53	101 Å²	101	55%	0.546	54%	0.538	S	S	.	.	H	α-helix	trans	-63.7	-23.8	169.3	0	0	0	0	0	114	K455 T456 H457 H461	K455-G459 PolarHBondContact O-N 2.87Å; T456-G459 WeakPolarHBondContact O-CA 3.2Å; T456-G459 PolarHBondContact O-N 2.9Å; H457-G459 PolarHBondContact O-N 3.18Å; G459-H461 VanDerWaalsContact C-N 3.31Å
460	V	73.1	Confident	68.2	Low	110 Å²	110	103.6 Å²	103.6	67%	0.667	55%	0.549	S	S	*	.	H	α-helix	trans	-75.5	-22.3	173.9	-171.8	0	0	0	0	111.7	H457 F458	H457-V460 VanDerWaalsContact O-CB 3.27Å; H457-V460 WeakPolarHBondContact O-CB 3.41Å; H457-V460 PolarHBondContact O-N 2.7Å; F458-V460 PolarHBondContact O-N 3.28Å
461	H	74.5	Confident	67.6	Low	55 Å²	55	105.7 Å²	105.7	26%	0.255	56%	0.557	S	S	.	*	H	α-helix	trans	-101.3	-14.9	-177	-62.4	-66.5	0	0	0	114.3	I443 C444 H457 F458 G459 A463	I443-H461 HydrophobicContact CB-CB 4.38Å; I443-H461 HydrophobicContact CD1-CB 3.53Å; I443-H461 HydrophobicContact CG2-CB 4.13Å; I443-H461 WeakPolarHBondContact CG2-ND1 3.4Å; C444-H461 PolarHBondContact SG-NE2 2.91Å; H457-H461 AromaticContact CD2-NE2 3.59Å; H457-H461 AromaticContact CE1-NE2 3.47Å; H457-H461 PolarHBondContact CE1-NE2 3.15Å; H457-H461 AromaticContact NE2-CD2 3.86Å; H457-H461 AromaticContact NE2-CE1 3.94Å; H457-H461 AromaticContact NE2-NE2 2.99Å; H457-H461 PolarHBondContact NE2-NE2 3.13Å; H457-H461 PolarHBondContact O-CD2 3.27Å; F458-H461 PolarHBondContact O-N 2.86Å; F458-H461 VanDerWaalsContact O-N 3.12Å; G459-H461 VanDerWaalsContact C-N 3.31Å; H461-A463 PolarHBondContact O-N 3.23Å
462	R	68.1	Low	67.3	Low	219 Å²	219	100.4 Å²	100.4	83%	0.826	54%	0.54	S	S	*	.	S	Bend	trans	-75	109.5	174.1	-97.6	-172.5	157.1	116.1	-2.4	109.5	F458 K464	F458-R462 PolarHBondContact O-N 3.22Å; F458-R462 VanDerWaalsContact O-N 3.15Å; R462-K464 PolarHBondContact O-N 2.78Å
463	A	60.5	Low	67.3	Low	96 Å²	96	98.4 Å²	98.4	79%	0.793	52%	0.519	S	S	*	.	S	Bend	trans	-73.5	97.9	-164.7	0	0	0	0	0	114.1	H461	H461-A463 PolarHBondContact O-N 3.23Å
464	K	39	Very low	67.3	Low	196 Å²	196	99.6 Å²	99.6	85%	0.852	53%	0.531	S	S	*	.			trans	-168.3	79.5	137.2	-107.3	176.8	-178.3	-179.2	0	108.6	R462	R462-K464 PolarHBondContact O-N 2.78Å
465	P	49.2	Very low	67.1	Low	103 Å²	103	103.2 Å²	103.2	67%	0.669	55%	0.549	S	S	*	.			trans	-64.7	128.8	170.1	28	-32.4	0	0	0	108.6	L467	P465-L467 PolarHBondContact O-N 3.06Å
466	P	48.8	Very low	67.2	Low	122 Å²	122	97.4 Å²	97.4	79%	0.792	53%	0.53	S	S	*	.			trans	-62	113.6	167.7	26	-32	0	0	0	107.7	R468	P466-R468 PolarHBondContact O-N 3.42Å
467	L	47.8	Very low	67.4	Low	147 Å²	147	98.6 Å²	98.6	77%	0.77	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	136.8	-177.1	-84.4	172.8	0	0	0	110.2	P465	P465-L467 PolarHBondContact O-N 3.06Å
468	R	47.7	Very low	67.2	Low	199 Å²	199	103.7 Å²	103.7	75%	0.751	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.1	56.3	162.8	-54.1	167.6	-175.4	169.2	0.4	116.5	P466 Q470	P466-R468 PolarHBondContact O-N 3.42Å; R468-Q470 HydrophobicContact CG-CG 4.44Å; R468-Q470 PolarHBondContact O-N 3.25Å
469	V	51.4	Low	67.2	Low	110 Å²	110	107.5 Å²	107.5	67%	0.667	57%	0.566	S	S	*	*				-82.1	67.2	124.5	-170.4	0	0	0	0	107.4	H471	V469-H471 PolarHBondContact O-N 3Å
470	Q	57.3	Low	67.3	Low	83 Å²	83	107 Å²	107	39%	0.388	55%	0.549	S	S	.	.			trans	-71.4	111.9	168.1	-92.3	-176.4	-25.3	0	0	106.5	R468 S472 K479	R468-Q470 HydrophobicContact CG-CG 4.44Å; R468-Q470 PolarHBondContact O-N 3.25Å; Q470-S472 VanDerWaalsContact C-N 3.28Å; Q470-S472 PolarHBondContact O-N 3.04Å; Q470-K479 HydrophobicContact CB-CB 4.38Å; Q470-K479 HydrophobicContact CB-CG 4.36Å; Q470-K479 HydrophobicContact CG-CB 4.37Å; Q470-K479 VanDerWaalsContact OE1-CD 3.31Å
471	H	66.1	Low	67.5	Low	70 Å²	70	108.3 Å²	108.3	32%	0.324	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.4	86.8	176.6	-77.2	-61.1	0	0	0	108	V469 F480 L486	V469-H471 PolarHBondContact O-N 3Å; H471-F480 PolarHBondContact N-O 3.45Å; H471-F480 WeakPolarHBondContact O-CB 3.33Å; H471-F480 WeakPolarHBondContact O-CD2 3.38Å; H471-F480 PolarHBondContact O-N 3.39Å; H471-L486 HydrophobicContact CB-CB 4.02Å; H471-L486 HydrophobicContact CB-CD2 3.65Å; H471-L486 HydrophobicContact CB-CG 4.39Å
472	S	74.3	Confident	67.7	Low	49 Å²	49	109.4 Å²	109.4	34%	0.343	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.5	147.4	173.5	51.8	0	0	0	0	111	Q470 K478 L486	Q470-S472 VanDerWaalsContact C-N 3.28Å; Q470-S472 PolarHBondContact O-N 3.04Å; S472-K478 CarbonylContact C-O 3.53Å; S472-K478 WeakPolarHBondContact CA-O 3.45Å; S472-L486 WeakPolarHBondContact O-CD2 3.47Å
473	C	84.4	Confident	68.2	Low	0 Å²	0	101.3 Å²	101.3	0%	0	55%	0.546	C	S	.	.			trans	-77.6	121.4	170.9	-172.1	0	0	0	0	110.5	I475 C476 Q477 K478 F480 L486 H493	C473-I475 PolarHBondContact O-N 2.98Å; C473-C476 PolarHBondContact O-N 3.48Å; C473-Q477 WeakPolarHBondContact O-CA 3.22Å; C473-Q477 PolarHBondContact O-N 3.1Å; C473-K478 PolarHBondContact N-O 2.62Å; C473-F480 HydrophobicContact CB-CE2 4.39Å; C473-L486 HydrophobicContact CB-CD1 3.79Å; C473-H493 VanDerWaalsContact SG-CD2 3.57Å
474	P	79.8	Confident	69.4	Low	100 Å²	100	101.7 Å²	101.7	65%	0.649	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.2	177.3	29	-35.1	0	0	0	113.7	I490	P474-I490 HydrophobicContact CG-CD1 4.42Å
475	I	81.9	Confident	71.4	Confident	94 Å²	94	95.5 Å²	95.5	48%	0.482	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-28.8	-177.5	-53.5	168.3	0	0	0	112.1	C473 I490 H493 M494	C473-I475 PolarHBondContact O-N 2.98Å; I475-I490 HydrophobicContact CD1-CG2 4.45Å; I475-H493 HydrophobicContact CB-CB 4.28Å; I475-H493 HydrophobicContact CD1-CB 3.53Å; I475-H493 HydrophobicContact CG1-CB 4.5Å; I475-H493 HydrophobicContact CG2-CB 3.95Å; I475-M494 HydrophobicContact CD1-CG 4.48Å
476	C	84.1	Confident	73.3	Confident	48 Å²	48	91.5 Å²	91.5	32%	0.324	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	16.7	177.4	74.9	0	0	0	0	115.1	C473 K478 H489 H493	C473-C476 PolarHBondContact O-N 3.48Å; C476-K478 PolarHBondContact O-N 2.94Å; C476-H489 PolarHBondContact SG-NE2 2.89Å; C476-H493 PolarHBondContact SG-CE1 2.85Å; C476-H493 PolarHBondContact SG-NE2 2.84Å
477	Q	84.3	Confident	74.9	Confident	128 Å²	128	90.3 Å²	90.3	60%	0.598	47%	0.473	S	S	*	.			trans	55.1	1.5	177.4	-57.7	-64.6	-0.7	0	0	118	C473 K479	C473-Q477 WeakPolarHBondContact O-CA 3.22Å; C473-Q477 PolarHBondContact O-N 3.1Å; Q477-K479 PolarHBondContact O-N 3.33Å
478	K	79.8	Confident	76.5	Confident	132 Å²	132	89.4 Å²	89.4	57%	0.574	47%	0.465	S	S	*	.			trans	-54.3	127.8	174.2	-71.6	-179.9	-178.2	178.5	0	110.4	S472 C473 C476 F480	S472-K478 CarbonylContact C-O 3.53Å; S472-K478 WeakPolarHBondContact CA-O 3.45Å; C473-K478 PolarHBondContact N-O 2.62Å; C476-K478 PolarHBondContact O-N 2.94Å; K478-F480 HydrophobicContact CB-CE2 3.71Å; K478-F480 HydrophobicContact CB-CZ 3.9Å; K478-F480 WeakPolarHBondContact O-CD2 3.29Å; K478-F480 WeakPolarHBondContact O-CE2 3.49Å
479	K	79.1	Confident	78.2	Confident	144 Å²	144	81.1 Å²	81.1	63%	0.626	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.2	-169.4	-77.9	157.8	166.5	176.7	0	111	Q470 Q477	Q470-K479 HydrophobicContact CB-CB 4.38Å; Q470-K479 HydrophobicContact CB-CG 4.36Å; Q470-K479 HydrophobicContact CG-CB 4.37Å; Q470-K479 VanDerWaalsContact OE1-CD 3.31Å; Q477-K479 PolarHBondContact O-N 3.33Å
480	F	81.3	Confident	79.8	Confident	41 Å²	41	77.1 Å²	77.1	18%	0.18	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.7	-179.5	-60.8	-86.2	0	0	0	112.3	H471 C473 K478 N482 V485 L486 H489	H471-F480 PolarHBondContact N-O 3.45Å; H471-F480 WeakPolarHBondContact O-CB 3.33Å; H471-F480 WeakPolarHBondContact O-CD2 3.38Å; H471-F480 PolarHBondContact O-N 3.39Å; C473-F480 HydrophobicContact CB-CE2 4.39Å; K478-F480 HydrophobicContact CB-CE2 3.71Å; K478-F480 HydrophobicContact CB-CZ 3.9Å; K478-F480 WeakPolarHBondContact O-CD2 3.29Å; K478-F480 WeakPolarHBondContact O-CE2 3.49Å; F480-N482 PolarHBondContact O-N 2.6Å; F480-V485 HydrophobicContact CD1-CB 4.23Å; F480-V485 HydrophobicContact CD1-CG1 3.58Å; F480-V485 HydrophobicContact CE1-CG1 4.03Å; F480-V485 HydrophobicContact CG-CG1 4.5Å; F480-L486 HydrophobicContact CB-CB 4.09Å; F480-L486 HydrophobicContact CD2-CB 4.07Å; F480-L486 HydrophobicContact CD2-CD1 3.7Å; F480-L486 HydrophobicContact CD2-CG 4.5Å; F480-L486 HydrophobicContact CE2-CD1 4.09Å; F480-L486 HydrophobicContact CG-CB 4.23Å; F480-H489 HydrophobicContact CE1-CB 4.16Å; F480-H489 HydrophobicContact CE2-CB 4Å; F480-H489 AromaticContact CE2-CD2 3.19Å; F480-H489 WeakPolarHBondContact CE2-CD2 3.42Å; F480-H489 AromaticContact CE2-CG 3.62Å; F480-H489 AromaticContact CE2-NE2 3.81Å; F480-H489 HydrophobicContact CZ-CB 3.67Å; F480-H489 AromaticContact CZ-CD2 3.35Å; F480-H489 WeakPolarHBondContact CZ-CD2 3.36Å; F480-H489 AromaticContact CZ-CG 3.3Å; F480-H489 AromaticContact CZ-ND1 3.79Å; F480-H489 AromaticContact CZ-NE2 3.83Å
481	T	78	Confident	81.1	Confident	139 Å²	139	80.8 Å²	80.8	85%	0.853	42%	0.419	S	S	*	.	S	Bend	trans	-78.9	-3.6	175.7	51.7	0	0	0	0	113.5
482	N	78.4	Confident	81.5	Confident	78 Å²	78	83.5 Å²	83.5	42%	0.417	43%	0.434	S	S	.	.	S	Bend	trans	-149.8	126.2	-173.8	-176.9	-24.9	0	0	0	110.6	F480 V484 V485 L486	F480-N482 PolarHBondContact O-N 2.6Å; N482-V484 PolarHBondContact O-N 2.77Å; N482-V484 WeakPolarHBondContact OD1-CB 3.42Å; N482-V484 PolarHBondContact OD1-N 2.63Å; N482-V485 HydrophobicContact CB-CB 4.44Å; N482-V485 HydrophobicContact CB-CG2 3.99Å; N482-V485 PolarHBondContact O-N 3.15Å; N482-V485 VanDerWaalsContact O-N 3.08Å; N482-L486 PolarHBondContact O-N 2.88Å
483	A	80.1	Confident	81.6	Confident	49 Å²	49	84.8 Å²	84.8	41%	0.405	43%	0.434	S	S	.	.	H	α-helix	trans	-57.5	-30.3	179.3	0	0	0	0	0	113.9	Q487	A483-Q487 VanDerWaalsContact O-CB 3.26Å; A483-Q487 WeakPolarHBondContact O-CB 3.43Å; A483-Q487 PolarHBondContact O-N 3.12Å
484	V	84.2	Confident	80.8	Confident	103 Å²	103	91.9 Å²	91.9	62%	0.624	47%	0.469	S	S	*	.	H	α-helix	trans	-68.7	-40.2	177.1	-177	0	0	0	0	110.9	N482 Q487 Q488	N482-V484 PolarHBondContact O-N 2.77Å; N482-V484 WeakPolarHBondContact OD1-CB 3.42Å; N482-V484 PolarHBondContact OD1-N 2.63Å; V484-Q487 PolarHBondContact O-N 2.9Å; V484-Q488 PolarHBondContact O-N 2.8Å
485	V	82.1	Confident	80.1	Confident	67 Å²	67	90.3 Å²	90.3	41%	0.406	47%	0.471	S	S	.	.	H	α-helix	trans	-70.6	-40.8	177.3	-173.6	0	0	0	0	110	F480 N482 Q487 Q488 H489	F480-V485 HydrophobicContact CD1-CB 4.23Å; F480-V485 HydrophobicContact CD1-CG1 3.58Å; F480-V485 HydrophobicContact CE1-CG1 4.03Å; F480-V485 HydrophobicContact CG-CG1 4.5Å; N482-V485 HydrophobicContact CB-CB 4.44Å; N482-V485 HydrophobicContact CB-CG2 3.99Å; N482-V485 PolarHBondContact O-N 3.15Å; N482-V485 VanDerWaalsContact O-N 3.08Å; V485-Q487 VanDerWaalsContact C-N 3.31Å; V485-Q487 PolarHBondContact O-N 2.79Å; V485-Q488 PolarHBondContact O-N 2.81Å; V485-H489 WeakPolarHBondContact O-CB 3.42Å; V485-H489 PolarHBondContact O-N 3.38Å
486	L	87.9	Confident	78.1	Confident	19 Å²	19	88.8 Å²	88.8	10%	0.099	48%	0.478	C	S	.	.	H	α-helix	trans	-57.4	-45.7	169.2	174.5	62.8	0	0	0	111.1	H471 S472 C473 F480 N482 Q488 H489 I490	H471-L486 HydrophobicContact CB-CB 4.02Å; H471-L486 HydrophobicContact CB-CD2 3.65Å; H471-L486 HydrophobicContact CB-CG 4.39Å; S472-L486 WeakPolarHBondContact O-CD2 3.47Å; C473-L486 HydrophobicContact CB-CD1 3.79Å; F480-L486 HydrophobicContact CB-CB 4.09Å; F480-L486 HydrophobicContact CD2-CB 4.07Å; F480-L486 HydrophobicContact CD2-CD1 3.7Å; F480-L486 HydrophobicContact CD2-CG 4.5Å; F480-L486 HydrophobicContact CE2-CD1 4.09Å; F480-L486 HydrophobicContact CG-CB 4.23Å; N482-L486 PolarHBondContact O-N 2.88Å; L486-Q488 VanDerWaalsContact C-N 3.29Å; L486-Q488 PolarHBondContact O-N 2.82Å; L486-H489 CarbonylContact O-C 3.5Å; L486-H489 PolarHBondContact O-N 3.21Å; L486-H489 VanDerWaalsContact O-N 3.1Å; L486-I490 HydrophobicContact CD1-CD1 3.75Å; L486-I490 HydrophobicContact CD1-CG1 3.71Å; L486-I490 HydrophobicContact CD2-CD1 3.96Å; L486-I490 HydrophobicContact CG-CD1 3.67Å; L486-I490 HydrophobicContact CG-CG1 4.07Å; L486-I490 WeakPolarHBondContact O-CG1 3.34Å; L486-I490 PolarHBondContact O-N 3.4Å
487	Q	82.7	Confident	75.9	Confident	96 Å²	96	95.6 Å²	95.6	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-68.6	-28.2	-175.7	-172.3	62.3	93.1	0	0	113	A483 V484 V485 R491	A483-Q487 VanDerWaalsContact O-CB 3.26Å; A483-Q487 WeakPolarHBondContact O-CB 3.43Å; A483-Q487 PolarHBondContact O-N 3.12Å; V484-Q487 PolarHBondContact O-N 2.9Å; V485-Q487 VanDerWaalsContact C-N 3.31Å; V485-Q487 PolarHBondContact O-N 2.79Å; Q487-R491 PolarHBondContact O-N 2.9Å
488	Q	81	Confident	73.5	Confident	129 Å²	129	97.5 Å²	97.5	60%	0.603	52%	0.518	S	S	*	.	H	α-helix	trans	-70.4	-45	167.6	-179.3	173.5	-7.6	0	0	111	V484 V485 L486 R491 M492	V484-Q488 PolarHBondContact O-N 2.8Å; V485-Q488 PolarHBondContact O-N 2.81Å; L486-Q488 VanDerWaalsContact C-N 3.29Å; L486-Q488 PolarHBondContact O-N 2.82Å; Q488-R491 VanDerWaalsContact O-CB 3.24Å; Q488-R491 WeakPolarHBondContact O-CB 3.49Å; Q488-R491 PolarHBondContact O-N 2.74Å; Q488-R491 VanDerWaalsContact O-N 3.1Å; Q488-M492 PolarHBondContact O-N 3.5Å
489	H	85.1	Confident	71.6	Confident	25 Å²	25	96 Å²	96	12%	0.116	52%	0.521	C	S	.	.	H	α-helix	trans	-66.4	-41.3	179.7	175.2	69	0	0	0	113.5	C476 F480 V485 L486 R491 M492 H493	C476-H489 PolarHBondContact SG-NE2 2.89Å; F480-H489 HydrophobicContact CE1-CB 4.16Å; F480-H489 HydrophobicContact CE2-CB 4Å; F480-H489 AromaticContact CE2-CD2 3.19Å; F480-H489 WeakPolarHBondContact CE2-CD2 3.42Å; F480-H489 AromaticContact CE2-CG 3.62Å; F480-H489 AromaticContact CE2-NE2 3.81Å; F480-H489 HydrophobicContact CZ-CB 3.67Å; F480-H489 AromaticContact CZ-CD2 3.35Å; F480-H489 WeakPolarHBondContact CZ-CD2 3.36Å; F480-H489 AromaticContact CZ-CG 3.3Å; F480-H489 AromaticContact CZ-ND1 3.79Å; F480-H489 AromaticContact CZ-NE2 3.83Å; V485-H489 WeakPolarHBondContact O-CB 3.42Å; V485-H489 PolarHBondContact O-N 3.38Å; L486-H489 CarbonylContact O-C 3.5Å; L486-H489 PolarHBondContact O-N 3.21Å; L486-H489 VanDerWaalsContact O-N 3.1Å; H489-R491 PolarHBondContact O-N 3.4Å; H489-M492 WeakPolarHBondContact O-CB 3.46Å; H489-M492 PolarHBondContact O-N 3.17Å; H489-H493 AromaticContact CD2-NE2 3.76Å; H489-H493 AromaticContact CE1-NE2 3.24Å; H489-H493 PolarHBondContact CE1-NE2 3.38Å; H489-H493 AromaticContact NE2-CD2 3.73Å; H489-H493 AromaticContact NE2-NE2 2.99Å; H489-H493 PolarHBondContact NE2-NE2 2.79Å; H489-H493 PolarHBondContact O-CD2 3.03Å; H489-H493 VanDerWaalsContact O-CD2 3.3Å; H489-H493 PolarHBondContact O-N 3.08Å
490	I	83.8	Confident	69.4	Low	26 Å²	26	96.2 Å²	96.2	13%	0.133	53%	0.53	C	S	.	.	H	α-helix	trans	-56.9	-34.6	170.3	-71.7	173.5	0	0	0	110.7	P474 I475 L486 M492 H493 M494	P474-I490 HydrophobicContact CG-CD1 4.42Å; I475-I490 HydrophobicContact CD1-CG2 4.45Å; L486-I490 HydrophobicContact CD1-CD1 3.75Å; L486-I490 HydrophobicContact CD1-CG1 3.71Å; L486-I490 HydrophobicContact CD2-CD1 3.96Å; L486-I490 HydrophobicContact CG-CD1 3.67Å; L486-I490 HydrophobicContact CG-CG1 4.07Å; L486-I490 WeakPolarHBondContact O-CG1 3.34Å; L486-I490 PolarHBondContact O-N 3.4Å; I490-M492 VanDerWaalsContact C-N 3.29Å; I490-M492 PolarHBondContact O-N 3.4Å; I490-H493 PolarHBondContact O-N 3.49Å; I490-M494 HydrophobicContact CG2-CG 4.28Å; I490-M494 HydrophobicContact CG2-SD 3.84Å; I490-M494 WeakPolarHBondContact O-CG 3.45Å; I490-M494 PolarHBondContact O-N 3.06Å; I490-M494 VanDerWaalsContact O-N 3.13Å
491	R	84.4	Confident	67	Low	159 Å²	159	100.2 Å²	100.2	60%	0.6	56%	0.558	S	S	*	*	H	α-helix	trans	-66.3	-31	176.7	-160.4	-173.9	-53.4	-177.1	5.6	112.6	Q487 Q488 H489 H493 M494 G495	Q487-R491 PolarHBondContact O-N 2.9Å; Q488-R491 VanDerWaalsContact O-CB 3.24Å; Q488-R491 WeakPolarHBondContact O-CB 3.49Å; Q488-R491 PolarHBondContact O-N 2.74Å; Q488-R491 VanDerWaalsContact O-N 3.1Å; H489-R491 PolarHBondContact O-N 3.4Å; R491-H493 VanDerWaalsContact C-N 3.3Å; R491-H493 PolarHBondContact O-N 3.46Å; R491-M494 CarbonylContact O-C 3.59Å; R491-M494 PolarHBondContact O-N 3.43Å; R491-M494 VanDerWaalsContact O-N 3.17Å; R491-G495 PolarHBondContact O-N 3.22Å
492	M	75.9	Confident	65.2	Low	128 Å²	128	99.6 Å²	99.6	63%	0.631	56%	0.556	S	S	*	*	H	α-helix	trans	-65.1	-35.8	175.2	-58	176.3	70.3	0	0	111.4	Q488 H489 I490	Q488-M492 PolarHBondContact O-N 3.5Å; H489-M492 WeakPolarHBondContact O-CB 3.46Å; H489-M492 PolarHBondContact O-N 3.17Å; I490-M492 VanDerWaalsContact C-N 3.29Å; I490-M492 PolarHBondContact O-N 3.4Å
493	H	76.6	Confident	63	Low	75 Å²	75	101.9 Å²	101.9	35%	0.347	57%	0.567	S	S	.	*	H	α-helix	trans	-73	-24.9	172.4	-63.9	-74.2	0	0	0	113.9	C473 I475 C476 H489 I490 R491	C473-H493 VanDerWaalsContact SG-CD2 3.57Å; I475-H493 HydrophobicContact CB-CB 4.28Å; I475-H493 HydrophobicContact CD1-CB 3.53Å; I475-H493 HydrophobicContact CG1-CB 4.5Å; I475-H493 HydrophobicContact CG2-CB 3.95Å; C476-H493 PolarHBondContact SG-CE1 2.85Å; C476-H493 PolarHBondContact SG-NE2 2.84Å; H489-H493 AromaticContact CD2-NE2 3.76Å; H489-H493 AromaticContact CE1-NE2 3.24Å; H489-H493 PolarHBondContact CE1-NE2 3.38Å; H489-H493 AromaticContact NE2-CD2 3.73Å; H489-H493 AromaticContact NE2-NE2 2.99Å; H489-H493 PolarHBondContact NE2-NE2 2.79Å; H489-H493 PolarHBondContact O-CD2 3.03Å; H489-H493 VanDerWaalsContact O-CD2 3.3Å; H489-H493 PolarHBondContact O-N 3.08Å; I490-H493 PolarHBondContact O-N 3.49Å; R491-H493 VanDerWaalsContact C-N 3.3Å; R491-H493 PolarHBondContact O-N 3.46Å
494	M	67	Low	61.3	Low	150 Å²	150	105.3 Å²	105.3	74%	0.739	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	15.2	-176.3	-65	-172.6	74.9	0	0	113.9	I475 I490 R491	I475-M494 HydrophobicContact CD1-CG 4.48Å; I490-M494 HydrophobicContact CG2-CG 4.28Å; I490-M494 HydrophobicContact CG2-SD 3.84Å; I490-M494 WeakPolarHBondContact O-CG 3.45Å; I490-M494 PolarHBondContact O-N 3.06Å; I490-M494 VanDerWaalsContact O-N 3.13Å; R491-M494 CarbonylContact O-C 3.59Å; R491-M494 PolarHBondContact O-N 3.43Å; R491-M494 VanDerWaalsContact O-N 3.17Å
495	G	64.2	Low	58.8	Low	67 Å²	67	108 Å²	108	69%	0.691	59%	0.591	S	S	*	*	S	Bend	trans	163.7	73.5	-177.4	0	0	0	0	0	112.2	R491	R491-G495 PolarHBondContact O-N 3.22Å
496	G	41.2	Very low	56.3	Low	61 Å²	61	108.3 Å²	108.3	63%	0.629	61%	0.608	S	S	*	*			trans	-143.2	67.6	-171.9	0	0	0	0	0	114.2
497	Q	37.5	Very low	53.5	Low	192 Å²	192	115.9 Å²	115.9	90%	0.897	64%	0.641	S	S	*	*			trans	-130.5	104.6	157.8	-81.5	-166.8	-1.8	0	0	110.4
498	I	33	Very low	51.1	Low	167 Å²	167	118.7 Å²	118.7	86%	0.856	65%	0.654	S	S	*	*			trans	-141.7	132.4	141.7	-57.1	-175.6	0	0	0	105.2
499	P	41.3	Very low	48.8	Very low	100 Å²	100	119 Å²	119	65%	0.649	66%	0.66	S	S	*	*			trans	-105.5	-171.1	-163.8	6.7	17.3	0	0	0	114.7
500	N	30.9	Very low	46.3	Very low	149 Å²	149	122.2 Å²	122.2	80%	0.797	69%	0.691	S	S	*	*			trans	85	141.8	166.7	-47.9	-55.5	0	0	0	115.5
501	T	31.6	Very low	43.9	Very low	125 Å²	125	130 Å²	130	77%	0.767	73%	0.729	S	S	*	*			cis	-145.4	172.6	13	47.9	0	0	0	0	110.5
502	P	40.4	Very low	41.3	Very low	126 Å²	126	129.7 Å²	129.7	82%	0.818	74%	0.739	S	S	*	*			cis	-125.6	-162.2	-34.5	36.6	-18.4	0	0	0	112.3
503	L	31.7	Very low	39.2	Very low	126 Å²	126	129.1 Å²	129.1	66%	0.66	75%	0.748	S	S	*	*			trans	-87.5	177	-171.8	-139.8	74.5	0	0	0	114.3	E505	L503-E505 HydrophobicContact CD2-CG 3.8Å; L503-E505 WeakPolarHBondContact CD2-OE1 3.32Å
504	P	44.3	Very low	37.1	Very low	121 Å²	121	133 Å²	133	79%	0.786	77%	0.766	S	S	*	*				-136.2	169	76.9	31.6	-12.4	0	0	0	116.3
505	E	32.8	Very low	35.5	Very low	159 Å²	159	132.9 Å²	132.9	74%	0.743	77%	0.767	S	S	*	*			trans	-69.8	162.3	-169.6	-74.5	86	169.8	0	0	118.1	L503	L503-E505 HydrophobicContact CD2-CG 3.8Å; L503-E505 WeakPolarHBondContact CD2-OE1 3.32Å
506	G	29.7	Very low	33.9	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	76%	0.763	S	S	*	*			trans	-158.8	113.7	155.4	0	0	0	0	0	111.2
507	F	28.4	Very low	33.4	Very low	178 Å²	178	141.7 Å²	141.7	78%	0.781	78%	0.778	S	S	*	*			trans	-52.4	153	-180	-83.5	-114.8	0	0	0	113
508	Q	33.1	Very low	33.1	Very low	155 Å²	155	138.5 Å²	138.5	72%	0.724	77%	0.767	S	S	*	*				-176.8	148.7	63.5	-174.2	60.9	63	0	0	112.1
509	D	31.1	Very low	33.1	Very low	137 Å²	137	138 Å²	138	73%	0.733	77%	0.766	S	S	*	*			trans	-70.6	158.1	171.9	-58.5	-104.1	0	0	0	115.6
510	A	33.2	Very low	33	Very low	92 Å²	92	141.2 Å²	141.2	76%	0.76	77%	0.77	S	S	*	*				171.9	130.4	112.1	0	0	0	0	0	116.2
511	M	33.3	Very low	32.8	Very low	190 Å²	190	142 Å²	142	94%	0.936	77%	0.774	S	S	*	*			trans	59.8	135.3	142.8	-71.1	-177.9	168.3	0	0	124.5
512	D	30.1	Very low	32.8	Very low	151 Å²	151	140 Å²	140	81%	0.807	77%	0.77	S	S	*	*			trans	-73	154.7	163.8	-50	-103	0	0	0	114.3
513	S	31.6	Very low	32.5	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	77%	0.772	S	S	*	*				-175.3	115.3	127.9	-74.7	0	0	0	0	108.1
514	E	33.8	Very low	32.7	Very low	157 Å²	157	143 Å²	143	73%	0.734	78%	0.779	S	S	*	*				75.8	130.5	65	-96.9	-71.5	79.3	0	0	116.2
515	L	32.3	Very low	32.3	Very low	146 Å²	146	144.9 Å²	144.9	76%	0.764	78%	0.781	S	S	*	*			trans	62.3	161.5	168.3	-53.6	178.6	0	0	0	119
516	A	30.4	Very low	32.1	Very low	72 Å²	72	142 Å²	142	60%	0.595	78%	0.779	S	S	*	*			cis	-175.3	144.3	-40.9	0	0	0	0	0	107.4
517	Y	30.4	Very low	32	Very low	241 Å²	241	142.9 Å²	142.9	95%	0.945	77%	0.773	S	S	*	*			trans	-154.2	133.7	154.9	-105.1	-72.2	0	0	0	111
518	D	32.6	Very low	32.1	Very low	125 Å²	125	144 Å²	144	67%	0.668	77%	0.774	S	S	*	*			trans	-95.1	151.2	172.1	-150.9	-58	0	0	0	108.2
519	D	31.6	Very low	32	Very low	156 Å²	156	142.4 Å²	142.4	83%	0.834	77%	0.77	S	S	*	*				-161.9	152.8	129.1	-149.5	-153.5	0	0	0	111.8
520	K	38.9	Very low	32	Very low	169 Å²	169	142.2 Å²	142.2	74%	0.735	77%	0.769	S	S	*	*			trans	-116.9	160.6	169.1	-63	163.9	-176	157.7	0	108.4
521	N	28.4	Very low	32.2	Very low	166 Å²	166	144.1 Å²	144.1	89%	0.888	77%	0.767	S	S	*	*			trans	151.2	169.4	130.4	-168.6	28.1	0	0	0	112.6
522	A	29.8	Very low	32.1	Very low	82 Å²	82	142.3 Å²	142.3	68%	0.678	76%	0.758	S	S	*	*			trans	81.6	83.2	161.2	0	0	0	0	0	118.1
523	E	35.2	Very low	32.5	Very low	186 Å²	186	141.5 Å²	141.5	87%	0.869	75%	0.753	S	S	*	*			trans	-76.5	159.4	145.3	-60.2	-173.6	138.8	0	0	111.2
524	T	35.8	Very low	32.8	Very low	130 Å²	130	142 Å²	142	80%	0.798	74%	0.742	S	S	*	*			trans	155.7	143.3	155.4	31.2	0	0	0	0	107.4
525	L	36.6	Very low	32.4	Very low	159 Å²	159	140.8 Å²	140.8	83%	0.832	74%	0.741	S	S	*	*			cis	-146.6	168.8	-2.4	-85.5	133.6	0	0	0	105.4
526	S	28.4	Very low	32.4	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	74%	0.74	S	S	*	*			cis	-158.4	173	-12.4	44.3	0	0	0	0	105.3
527	S	27.1	Very low	32.5	Very low	91 Å²	91	143.1 Å²	143.1	64%	0.636	75%	0.749	S	S	*	*				161	128.3	71.8	172.4	0	0	0	0	109.2
528	Y	29.8	Very low	32.7	Very low	203 Å²	203	138.4 Å²	138.4	80%	0.796	74%	0.736	S	S	*	*			trans	39.7	145.7	142	-66.7	-92.1	0	0	0	121.6
529	D	31.8	Very low	32.6	Very low	121 Å²	121	139.7 Å²	139.7	65%	0.647	74%	0.743	S	S	*	*			cis	-171.5	179	-17.8	-118.4	-178.3	0	0	0	107.8
530	D	31.6	Very low	32.5	Very low	132 Å²	132	139.6 Å²	139.6	71%	0.706	74%	0.742	S	S	*	*			trans	46.5	151.8	152.3	-62	-171.4	0	0	0	122.9
531	D	35.7	Very low	32.5	Very low	133 Å²	133	135 Å²	135	71%	0.711	74%	0.736	S	S	*	*				-156.9	-119.6	-72.1	57	33.3	0	0	0	112.5
532	M	33	Very low	32.6	Very low	152 Å²	152	135.4 Å²	135.4	75%	0.749	73%	0.733	S	S	*	*			trans	-62.9	168.1	-168.1	-55.5	-66.6	-170.1	0	0	114.5
533	D	37	Very low	32.8	Very low	133 Å²	133	138 Å²	138	71%	0.711	73%	0.734	S	S	*	*			cis	-149.4	-165	0.2	-134.5	-19	0	0	0	107.2
534	E	38.5	Very low	32.5	Very low	127 Å²	127	137.1 Å²	137.1	59%	0.593	73%	0.727	S	S	*	*			cis	-147.9	-175.9	6.8	-148.3	-78.1	99.2	0	0	108.3	S536	E534-S536 PolarHBondContact OE2-OG 2.84Å
535	N	26.3	Very low	32.1	Very low	133 Å²	133	137.5 Å²	137.5	71%	0.711	73%	0.725	S	S	*	*			trans	-82	-148.3	167.9	-55.4	-86.4	0	0	0	112.8
536	S	31.5	Very low	31.8	Very low	104 Å²	104	134 Å²	134	73%	0.727	72%	0.718	S	S	*	*			trans	72.7	135.9	179.6	-61.2	0	0	0	0	115.6	E534	E534-S536 PolarHBondContact OE2-OG 2.84Å
537	M	32.9	Very low	31.8	Very low	162 Å²	162	133.8 Å²	133.8	80%	0.798	72%	0.723	S	S	*	*			cis	-149.3	169.6	-2.5	-164.3	165	172.6	0	0	110.1
538	E	34.3	Very low	31.9	Very low	143 Å²	143	136.2 Å²	136.2	67%	0.668	73%	0.734	S	S	*	*			trans	-69.5	166.3	164.8	63.5	-99.2	84.5	0	0	113.1
539	D	30	Very low	31.6	Very low	152 Å²	152	133.3 Å²	133.3	81%	0.813	73%	0.732	S	S	*	*				-176.7	-167.6	98.3	-154.4	-106.3	0	0	0	111.5
540	D	31.1	Very low	32	Very low	154 Å²	154	133 Å²	133	82%	0.824	74%	0.737	S	S	*	*			trans	-108.9	-131.6	-170.6	-162.6	-90	0	0	0	111.4
541	A	38.5	Very low	31.7	Very low	73 Å²	73	130.6 Å²	130.6	60%	0.603	74%	0.735	S	S	*	*			trans	-109.9	179.5	-161.5	0	0	0	0	0	116.7
542	E	29.1	Very low	31.3	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.813	74%	0.742	S	S	*	*			trans	97.3	147.2	159.5	-67.8	-150.8	67.7	0	0	121.5
543	L	34.3	Very low	31.6	Very low	137 Å²	137	131.5 Å²	131.5	72%	0.717	74%	0.74	S	S	*	*			trans	68.3	94.3	151.5	-70.2	160.1	0	0	0	122.5
544	K	29.6	Very low	31.2	Very low	166 Å²	166	132 Å²	132	72%	0.722	74%	0.742	S	S	*	*				84.4	126	100.9	178.5	178.9	175.9	-170.2	0	122.6
545	D	27	Very low	30.6	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	75%	0.752	S	S	*	*			trans	75.6	156.1	150.9	-90.8	-54.4	0	0	0	123.8
546	A	29.6	Very low	30.6	Very low	85 Å²	85	131.5 Å²	131.5	70%	0.702	75%	0.75	S	S	*	*			trans	50.6	99.8	162.1	0	0	0	0	0	118.3
547	A	29.3	Very low	30.4	Very low	96 Å²	96	138 Å²	138	79%	0.793	76%	0.76	S	S	*	*				76.4	124.6	57.4	0	0	0	0	0	116.1
548	T	28.7	Very low	30.1	Very low	143 Å²	143	134.4 Å²	134.4	88%	0.877	76%	0.756	S	S	*	*			trans	164.4	123.9	133.2	-68.4	0	0	0	0	111.9
549	D	24.6	Very low	29.8	Very low	141 Å²	141	131.4 Å²	131.4	75%	0.754	76%	0.764	S	S	*	*			trans	-74.7	161.2	170.8	-128.9	-54.6	0	0	0	110.6	A551	D549-A551 PolarHBondContact OD1-N 3.36Å
550	P	39.6	Very low	29.8	Very low	116 Å²	116	130.1 Å²	130.1	75%	0.753	77%	0.767	S	S	*	*				-156	153.7	70.1	39.3	-18	0	0	0	119.5
551	A	24.9	Very low	29.7	Very low	80 Å²	80	128.4 Å²	128.4	66%	0.661	77%	0.766	S	S	*	*			trans	61.2	131.9	144.5	0	0	0	0	0	120.6	D549	D549-A551 PolarHBondContact OD1-N 3.36Å
552	K	28.4	Very low	30	Very low	196 Å²	196	130.4 Å²	130.4	85%	0.852	77%	0.773	S	S	*	*				64.3	140	62	-80.1	-179.6	178.7	170.8	0	114.2
553	P	39.5	Very low	30.7	Very low	109 Å²	109	128 Å²	128	71%	0.708	77%	0.772	S	S	*	*			cis	-148.2	153.2	45.5	39	-18.5	0	0	0	120.8
554	L	27.6	Very low	30.7	Very low	142 Å²	142	127 Å²	127	74%	0.743	78%	0.777	S	S	*	*			trans	56.4	153.4	134.3	-56.3	171.8	0	0	0	120.7
555	L	26.2	Very low	31.9	Very low	155 Å²	155	124.6 Å²	124.6	81%	0.812	78%	0.778	S	S	*	*			cis	-127.4	-145.6	13.5	-74.5	167	0	0	0	112.1
556	S	26.1	Very low	33	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	78%	0.779	S	S	*	*				-173.1	126.8	-107.7	-67.9	0	0	0	0	113.4
557	Y	27	Very low	33.3	Very low	239 Å²	239	124.3 Å²	124.3	94%	0.937	78%	0.778	S	S	*	*			trans	-148.7	172.8	151.8	-153.7	-106.3	0	0	0	111.9
558	A	27.6	Very low	33.5	Very low	87 Å²	87	125.9 Å²	125.9	72%	0.719	78%	0.778	S	S	*	*			trans	-123	164.4	-150.9	0	0	0	0	0	117
559	G	28	Very low	33.6	Very low	80 Å²	80	126.2 Å²	126.2	83%	0.825	77%	0.773	S	S	*	*			trans	164.2	124.3	168.4	0	0	0	0	0	111.7
560	S	29.3	Very low	33.8	Very low	126 Å²	126	124.7 Å²	124.7	88%	0.881	77%	0.773	S	S	*	*			trans	-128.8	157.1	-166.2	55	0	0	0	0	116.2
561	C	27.9	Very low	33.4	Very low	118 Å²	118	124.3 Å²	124.3	80%	0.797	77%	0.773	S	S	*	*			trans	-61.4	-179.7	176.5	-71.1	0	0	0	0	114.3
562	P	46.7	Very low	33.7	Very low	115 Å²	115	128.6 Å²	128.6	75%	0.747	78%	0.783	S	S	*	*			cis	-147	-179.4	21.8	44.3	-23.7	0	0	0	119.1
563	P	42.8	Very low	33.8	Very low	123 Å²	123	123.6 Å²	123.6	80%	0.799	78%	0.779	S	S	*	*			trans	-83.1	177.5	162.3	36	-36.7	0	0	0	113.4
564	S	33.9	Very low	33.4	Very low	117 Å²	117	122.7 Å²	122.7	82%	0.818	78%	0.781	S	S	*	*			trans	-144.9	172.4	-166.9	93.3	0	0	0	0	113.1
565	P	56.1	Low	33.6	Very low	114 Å²	114	123 Å²	123	74%	0.74	78%	0.782	S	S	*	*				-133.2	-149.9	-126.6	43.9	-23.2	0	0	0	112.7
566	P	50.1	Low	33.8	Very low	119 Å²	119	123.3 Å²	123.3	77%	0.773	78%	0.78	S	S	*	*			cis	-117.5	-151.1	-14.4	33.7	-10.5	0	0	0	111.2
567	S	34.8	Very low	34.1	Very low	98 Å²	98	125.2 Å²	125.2	69%	0.685	78%	0.782	S	S	*	*			cis	-162.5	176.8	11.8	-148.2	0	0	0	0	108.3
568	V	33.5	Very low	34.3	Very low	130 Å²	130	121.8 Å²	121.8	79%	0.788	78%	0.775	S	S	*	*			cis	-143.7	157.9	15.5	-163.1	0	0	0	0	111.8
569	I	30.3	Very low	34.3	Very low	149 Å²	149	125.7 Å²	125.7	76%	0.764	78%	0.78	S	S	*	*			trans	-53.1	151.9	164.8	-67.6	157.9	0	0	0	112.7
570	S	29.5	Very low	34.4	Very low	109 Å²	109	130.9 Å²	130.9	76%	0.762	78%	0.78	S	S	*	*			cis	-136.6	153.6	33.9	-159.3	0	0	0	0	117.4
571	S	31.7	Very low	34.5	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	77%	0.774	S	S	*	*			trans	-110.8	170.4	175.6	-44.7	0	0	0	0	111.8
572	I	29.9	Very low	34.6	Very low	170 Å²	170	133.6 Å²	133.6	87%	0.872	77%	0.772	S	S	*	*			trans	175.1	147.6	148.7	-93.7	150.9	0	0	0	106.5
573	A	31.7	Very low	33.7	Very low	91 Å²	91	135.1 Å²	135.1	75%	0.752	77%	0.774	S	S	*	*			cis	-163.1	168.8	-34.9	0	0	0	0	0	107
574	A	31.3	Very low	33	Very low	91 Å²	91	135.3 Å²	135.3	75%	0.752	78%	0.778	S	S	*	*			trans	-76	163.7	-172.1	0	0	0	0	0	115.9
575	L	32.3	Very low	32.8	Very low	149 Å²	149	136.2 Å²	136.2	78%	0.78	78%	0.779	S	S	*	*			trans	137.1	141.1	135.6	-72.1	176.3	0	0	0	117.1
576	E	29.7	Very low	31.6	Very low	161 Å²	161	137.4 Å²	137.4	75%	0.752	78%	0.776	S	S	*	*			trans	61.8	92.6	143.5	-68.1	169.4	140.8	0	0	122.8
577	N	33.1	Very low	30.8	Very low	136 Å²	136	135.7 Å²	135.7	73%	0.727	77%	0.767	S	S	*	*				44.8	110.8	105.1	-149.5	3.5	0	0	0	119.7
578	Q	29.6	Very low	30.5	Very low	166 Å²	166	137.2 Å²	137.2	78%	0.776	78%	0.776	S	S	*	*			trans	64.4	138.7	167.9	-60.7	172.1	53.6	0	0	115.4
579	M	28.2	Very low	30.5	Very low	170 Å²	170	139 Å²	139	84%	0.837	78%	0.775	S	S	*	*			cis	-160.3	166.7	39.3	-173	147.8	57.6	0	0	113.5
580	K	29.6	Very low	30.4	Very low	188 Å²	188	140.8 Å²	140.8	82%	0.817	78%	0.781	S	S	*	*			trans	-27.7	146.6	166.3	-84.3	177.1	177	175.2	0	119.5
581	M	31	Very low	30.3	Very low	156 Å²	156	142.7 Å²	142.7	77%	0.768	78%	0.782	S	S	*	*			trans	98.7	114.3	144	-62.7	-98.9	-70.4	0	0	121.2
582	I	31.4	Very low	30.1	Very low	145 Å²	145	144.5 Å²	144.5	74%	0.744	79%	0.788	S	S	*	*				49.1	134	124.4	-55.3	179.3	0	0	0	120.1
583	D	27.5	Very low	30	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	78%	0.781	S	S	*	*			trans	-54.4	149.6	174.9	-53	-99.2	0	0	0	116.1
584	S	27.3	Very low	29.8	Very low	127 Å²	127	142.6 Å²	142.6	89%	0.888	78%	0.783	S	S	*	*			trans	-155.3	153	141	-88.5	0	0	0	0	113.1
585	V	31.4	Very low	29.4	Very low	136 Å²	136	147.4 Å²	147.4	82%	0.824	79%	0.787	S	S	*	*			trans	-109.1	141.3	-174.3	163.7	0	0	0	0	109.5
586	M	30	Very low	29	Very low	138 Å²	138	144.9 Å²	144.9	68%	0.68	78%	0.782	S	S	*	*			trans	-158.4	162.5	135.5	-114.9	-169	75.3	0	0	114.3	P741	M586-P741 WeakPolarHBondContact SD-CD 3.46Å
587	S	33.1	Very low	28.9	Very low	83 Å²	83	143.3 Å²	143.3	58%	0.58	78%	0.783	S	S	*	*			trans	-121	152.7	-173.6	177.8	0	0	0	0	110.3
588	C	28.7	Very low	28.4	Very low	130 Å²	130	143.8 Å²	143.8	88%	0.878	78%	0.781	S	S	*	*			trans	-157.1	165.1	136.2	-121.9	0	0	0	0	111.6
589	Q	32.5	Very low	28.2	Very low	167 Å²	167	142.8 Å²	142.8	78%	0.78	78%	0.781	S	S	*	*			trans	-121.1	157	-170.5	-53.2	170.4	15.9	0	0	111.4
590	Q	28	Very low	28	Very low	188 Å²	188	137.8 Å²	137.8	88%	0.879	77%	0.773	S	S	*	*			trans	-153	113.9	136.5	-127.4	168.7	-6.9	0	0	115.4
591	L	28.4	Very low	28.1	Very low	149 Å²	149	135.1 Å²	135.1	78%	0.78	78%	0.778	S	S	*	*			trans	16	116.7	149.2	-64.8	165.3	0	0	0	121.2
592	T	26.8	Very low	27.9	Very low	146 Å²	146	129.8 Å²	129.8	90%	0.896	76%	0.763	S	S	*	*				178.8	135.1	114.3	26.3	0	0	0	0	106.4
593	G	28.7	Very low	27.8	Very low	70 Å²	70	128.7 Å²	128.7	72%	0.722	76%	0.755	S	S	*	*			cis	108.1	126.3	43.9	0	0	0	0	0	107.6
594	L	28.1	Very low	28.1	Very low	151 Å²	151	125.8 Å²	125.8	79%	0.791	75%	0.746	S	S	*	*			cis	-159.4	147.8	8.9	-87.2	168.3	0	0	0	111.2
595	K	23.1	Very low	28.4	Very low	191 Å²	191	125.6 Å²	125.6	83%	0.83	74%	0.735	S	S	*	*			trans	64.3	167.6	150.3	-69.6	177.4	178.3	-177.5	0	118.8
596	S	22.4	Very low	28.5	Very low	97 Å²	97	128.5 Å²	128.5	68%	0.678	73%	0.731	S	S	*	*			cis	179.4	170	-34	-170	0	0	0	0	108.6
597	V	27.9	Very low	28.6	Very low	127 Å²	127	129 Å²	129	77%	0.77	74%	0.735	S	S	*	*			trans	70.4	162.3	157.3	133.1	0	0	0	0	116
598	E	23.3	Very low	28.3	Very low	147 Å²	147	129.6 Å²	129.6	69%	0.687	74%	0.74	S	S	*	*			cis	-177.2	149.6	-41.6	177.6	174.5	94.3	0	0	107.7
599	N	24.2	Very low	28.3	Very low	145 Å²	145	130.1 Å²	130.1	78%	0.775	73%	0.734	S	S	*	*			trans	60.4	169.1	173.9	-65.3	-31	0	0	0	115.9
600	G	25.2	Very low	28	Very low	65 Å²	65	128 Å²	128	67%	0.67	73%	0.728	S	S	*	*			cis	132.9	104.8	-14.5	0	0	0	0	0	114.9
601	S	30.7	Very low	28.5	Very low	131 Å²	131	123.5 Å²	123.5	92%	0.916	72%	0.717	S	S	*	*			trans	69.7	177.1	166.6	-152.3	0	0	0	0	117.7
602	G	27.8	Very low	29.1	Very low	44 Å²	44	121.8 Å²	121.8	45%	0.454	72%	0.717	S	S	.	*			trans	93.6	163.4	-179.7	0	0	0	0	0	115.1
603	E	28	Very low	29.5	Very low	123 Å²	123	119.9 Å²	119.9	58%	0.575	71%	0.71	S	S	*	*				-147.9	178.9	-92.6	54.8	-172	105.1	0	0	112.1	I688 K689	E603-I688 WeakPolarHBondContact OE2-CD1 3.38Å; E603-I688 WeakPolarHBondContact OE2-CG1 3.31Å; E603-K689 HydrophobicContact CB-CD 4.07Å
604	S	33.7	Very low	30	Very low	87 Å²	87	120.7 Å²	120.7	61%	0.608	71%	0.71	S	S	*	*			trans	-68.9	157.9	-177.8	-48.6	0	0	0	0	111.6
605	D	35.2	Very low	30.2	Very low	122 Å²	122	120.5 Å²	120.5	65%	0.652	72%	0.715	S	S	*	*				176	176.5	54.8	-143.8	-56.5	0	0	0	110.7
606	R	32.6	Very low	30.4	Very low	198 Å²	198	114.8 Å²	114.8	75%	0.747	71%	0.71	S	S	*	*			trans	63.1	117	153.6	-67.1	-58.1	131.4	151.6	3.2	124.4
607	L	31.7	Very low	30.8	Very low	148 Å²	148	117.3 Å²	117.3	78%	0.775	72%	0.716	S	S	*	*				102.7	120.3	124.1	-72.7	170.3	0	0	0	123.6
608	S	27.9	Very low	31.1	Very low	96 Å²	96	117.2 Å²	117.2	67%	0.671	71%	0.71	S	S	*	*			trans	91.2	133.5	132.4	-64.1	0	0	0	0	123.7
609	N	28.9	Very low	31.5	Very low	140 Å²	140	117.9 Å²	117.9	75%	0.749	71%	0.713	S	S	*	*			trans	67.1	152.4	158.7	-74.7	43.8	0	0	0	119
610	D	26.1	Very low	31.8	Very low	124 Å²	124	114.7 Å²	114.7	66%	0.663	70%	0.702	S	S	*	*			cis	-146.1	161.6	8.2	-139	-54.1	0	0	0	114.3
611	S	37.9	Very low	32	Very low	92 Å²	92	122.3 Å²	122.3	64%	0.643	71%	0.711	S	S	*	*			trans	36.4	122.3	149.7	-76.4	0	0	0	0	122.8
612	S	40.4	Very low	32.1	Very low	113 Å²	113	121.1 Å²	121.1	79%	0.79	70%	0.702	S	S	*	*				91.8	149	73.5	-68.5	0	0	0	0	113.4
613	S	36.6	Very low	32.4	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	72%	0.724	S	S	*	*			cis	-169.5	165.2	3.8	47.1	0	0	0	0	113.2
614	A	37.8	Very low	32.3	Very low	87 Å²	87	121.9 Å²	121.9	72%	0.719	73%	0.732	S	S	*	*			trans	67.1	156.6	140	0	0	0	0	0	120.9
615	V	33.2	Very low	32.4	Very low	147 Å²	147	123.5 Å²	123.5	89%	0.891	74%	0.744	S	S	*	*			cis	-165.2	166.2	-13.1	-96.7	0	0	0	0	110.7
616	G	27.9	Very low	33.3	Very low	70 Å²	70	124 Å²	124	72%	0.722	75%	0.754	S	S	*	*			trans	106.9	128.4	167.3	0	0	0	0	0	114.8
617	D	29.7	Very low	33.3	Very low	151 Å²	151	118.9 Å²	118.9	81%	0.807	75%	0.754	S	S	*	*			cis	78.1	142.1	17.4	-132.7	27.8	0	0	0	114.4
618	L	33.4	Very low	33.3	Very low	124 Å²	124	120.1 Å²	120.1	65%	0.649	76%	0.76	S	S	*	*			cis	-164.3	142.4	16	-179.2	62.8	0	0	0	112.3
619	E	33.7	Very low	33.8	Very low	162 Å²	162	120.6 Å²	120.6	76%	0.757	76%	0.764	S	S	*	*			trans	44.5	178.4	155.7	-74	-165.9	46.8	0	0	123.1
620	S	29.5	Very low	34	Very low	77 Å²	77	122.2 Å²	122.2	54%	0.538	77%	0.767	S	S	.	*			cis	-159.1	157.9	-7	-134.7	0	0	0	0	113.3
621	R	30	Very low	34.3	Very low	226 Å²	226	121.1 Å²	121.1	85%	0.853	77%	0.769	S	S	*	*			trans	63.1	165	149.1	-70.6	169.4	143.9	-156.6	-7	121.2
622	S	32.1	Very low	34.3	Very low	105 Å²	105	122.2 Å²	122.2	73%	0.734	78%	0.777	S	S	*	*			cis	-172.8	155.7	-34.3	-90.3	0	0	0	0	113.3
623	A	33.3	Very low	33.7	Very low	111 Å²	111	122.2 Å²	122.2	92%	0.917	78%	0.776	S	S	*	*			trans	76.2	143.6	152.8	0	0	0	0	0	122.2
624	G	26.2	Very low	33.4	Very low	72 Å²	72	121.8 Å²	121.8	74%	0.742	77%	0.773	S	S	*	*			trans	157.3	121.8	167.4	0	0	0	0	0	115.3
625	S	35.9	Very low	33	Very low	122 Å²	122	126.3 Å²	126.3	85%	0.853	78%	0.78	S	S	*	*			trans	-158.9	154.2	169.9	-60.8	0	0	0	0	109.4
626	P	54.8	Low	32.7	Very low	133 Å²	133	123.2 Å²	123.2	86%	0.864	77%	0.769	S	S	*	*				-146.3	-168.9	100.1	38.3	-20.5	0	0	0	114.1
627	A	32.2	Very low	32.7	Very low	90 Å²	90	127.4 Å²	127.4	74%	0.744	77%	0.774	S	S	*	*			trans	-107.6	-179.5	-169.7	0	0	0	0	0	114.2
628	L	32.7	Very low	33	Very low	173 Å²	173	125.2 Å²	125.2	91%	0.906	77%	0.771	S	S	*	*				-156	158.3	127	-101.3	176.8	0	0	0	111
629	S	37.6	Very low	33.5	Very low	107 Å²	107	125 Å²	125	75%	0.748	78%	0.777	S	S	*	*			trans	-86.5	178.7	-171	-45.9	0	0	0	0	112.3
630	E	32.6	Very low	33.4	Very low	174 Å²	174	121.3 Å²	121.3	81%	0.813	77%	0.774	S	S	*	*			cis	-143.1	-154.6	18.2	-74.9	-161.6	-4.1	0	0	111.2
631	S	32.3	Very low	33.8	Very low	100 Å²	100	123 Å²	123	70%	0.699	78%	0.783	S	S	*	*			cis	-152.6	170	9.1	-64.3	0	0	0	0	114.4
632	S	37.7	Very low	33.7	Very low	116 Å²	116	117.6 Å²	117.6	81%	0.811	78%	0.78	S	S	*	*			trans	-34.2	139.1	167.9	-66.2	0	0	0	0	116.7
633	S	28.5	Very low	33.4	Very low	112 Å²	112	120.8 Å²	120.8	78%	0.783	79%	0.789	S	S	*	*			cis	-160.2	-174.6	9.5	57.7	0	0	0	0	109.6
634	S	30.4	Very low	33.2	Very low	98 Å²	98	119.2 Å²	119.2	69%	0.685	78%	0.783	S	S	*	*			cis	-158.7	-163.5	17.6	-156	0	0	0	0	113.2	A636	S634-A636 PolarHBondContact O-N 3.48Å
635	Q	29.5	Very low	33.1	Very low	183 Å²	183	125.5 Å²	125.5	86%	0.855	79%	0.793	S	S	*	*			trans	-42.7	108.9	176.9	-61	170.7	4.7	0	0	112.4
636	A	27.1	Very low	32.6	Very low	81 Å²	81	125.2 Å²	125.2	67%	0.669	79%	0.791	S	S	*	*				73.6	105.1	71	0	0	0	0	0	112.3	S634	S634-A636 PolarHBondContact O-N 3.48Å
637	L	27.4	Very low	31.3	Very low	158 Å²	158	128.8 Å²	128.8	83%	0.827	79%	0.793	S	S	*	*				72	105.7	52.9	-58.4	175.6	0	0	0	112.7
638	S	36.1	Very low	31	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	80%	0.801	S	S	*	*				99.9	172.6	95.8	-70.6	0	0	0	0	111.2
639	P	43.7	Very low	30.7	Very low	121 Å²	121	131.8 Å²	131.8	79%	0.786	79%	0.787	S	S	*	*			cis	-135.4	-174.1	10.9	42.9	-23.8	0	0	0	117
640	A	31.3	Very low	30.2	Very low	84 Å²	84	135.6 Å²	135.6	69%	0.694	79%	0.79	S	S	*	*			trans	-80.4	180	160.4	0	0	0	0	0	110
641	P	38.7	Very low	30.4	Very low	113 Å²	113	132.4 Å²	132.4	73%	0.734	79%	0.787	S	S	*	*			cis	-154.5	-166.3	44.9	43.8	-21.1	0	0	0	117.7
642	S	26.6	Very low	30.8	Very low	111 Å²	111	134.2 Å²	134.2	78%	0.776	80%	0.796	S	S	*	*			trans	83.6	165.5	145	76.9	0	0	0	0	121.2
643	N	26	Very low	30.3	Very low	173 Å²	173	132 Å²	132	93%	0.925	79%	0.792	S	S	*	*			trans	-78.7	151.6	-173.6	-65.4	-30.3	0	0	0	112.8
644	G	29.8	Very low	30.4	Very low	77 Å²	77	135.6 Å²	135.6	79%	0.794	80%	0.801	S	S	*	*			trans	-174.1	124.2	164	0	0	0	0	0	111.4
645	E	24.2	Very low	30.2	Very low	205 Å²	205	134.8 Å²	134.8	96%	0.958	81%	0.809	S	S	*	*			trans	-80.1	131.7	176	-68.2	174.1	85.8	0	0	111.2
646	S	25.9	Very low	30.4	Very low	116 Å²	116	130.8 Å²	130.8	81%	0.811	81%	0.807	S	S	*	*			trans	-160.4	132.3	156.1	-169.6	0	0	0	0	111.8
647	F	27.5	Very low	31.3	Very low	207 Å²	207	132.4 Å²	132.4	91%	0.908	81%	0.811	S	S	*	*			trans	-140.4	112.6	177.1	-104.9	-71.1	0	0	0	109.7
648	R	26.2	Very low	31.2	Very low	239 Å²	239	133.8 Å²	133.8	90%	0.902	81%	0.813	S	S	*	*			trans	149.1	156.4	161.6	-90.1	178.3	177.2	-150.7	-0.4	109.2
649	S	25.6	Very low	31.1	Very low	88 Å²	88	137 Å²	137	62%	0.615	82%	0.816	S	S	*	*			cis	-151.8	148.9	-6.1	-107.5	0	0	0	0	107.7
650	K	28.1	Very low	31.1	Very low	186 Å²	186	135.4 Å²	135.4	81%	0.809	81%	0.806	S	S	*	*				37.6	107.4	92.7	-74.7	-170.7	174.8	-174.2	0	114.5
651	S	36.8	Very low	30.8	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	81%	0.811	S	S	*	*				87.3	131	84.6	-63.7	0	0	0	0	113.6
652	P	40	Very low	30.1	Very low	137 Å²	137	142.7 Å²	142.7	89%	0.89	82%	0.816	S	S	*	*			trans	-88.1	149.1	169.5	7.7	10.5	0	0	0	112.3
653	G	26.1	Very low	30.1	Very low	69 Å²	69	145 Å²	145	71%	0.711	82%	0.818	S	S	*	*			trans	149.7	71.5	161.4	0	0	0	0	0	119.5
654	L	31.3	Very low	30.8	Very low	188 Å²	188	141.7 Å²	141.7	98%	0.984	81%	0.805	S	S	*	*			trans	63.6	136.8	150.1	-49.8	176.3	0	0	0	120.7
655	G	26.2	Very low	30.7	Very low	82 Å²	82	144.9 Å²	144.9	85%	0.845	80%	0.804	S	S	*	*			trans	128.6	128.7	164.9	0	0	0	0	0	115
656	A	34.9	Very low	30.7	Very low	99 Å²	99	143.4 Å²	143.4	82%	0.818	79%	0.794	S	S	*	*			trans	-160.8	177.6	-176.7	0	0	0	0	0	110.1
657	P	46.1	Very low	30.8	Very low	115 Å²	115	143.8 Å²	143.8	75%	0.747	79%	0.792	S	S	*	*			cis	-125.5	-175.4	-31.1	37.4	-21.3	0	0	0	112.5
658	E	24.3	Very low	30.6	Very low	187 Å²	187	142.6 Å²	142.6	87%	0.874	79%	0.789	S	S	*	*			trans	167.5	161.3	134.3	-85.3	-79.6	66.9	0	0	110
659	E	34.4	Very low	30.8	Very low	172 Å²	172	142.3 Å²	142.3	80%	0.804	79%	0.788	S	S	*	*			trans	-143.5	-173.7	-159.7	-112.7	-150.9	134	0	0	112.1
660	P	42.5	Very low	31.5	Very low	87 Å²	87	143.6 Å²	143.6	57%	0.565	79%	0.794	S	S	*	*			cis	-136	-153.7	-40.6	32.8	-11	0	0	0	113.8
661	Q	25.9	Very low	31.2	Very low	174 Å²	174	141.8 Å²	141.8	81%	0.813	79%	0.793	S	S	*	*			trans	87.7	143.4	160	-49.4	-168	-17.1	0	0	119.3
662	E	24.8	Very low	30.9	Very low	176 Å²	176	141.2 Å²	141.2	82%	0.822	79%	0.789	S	S	*	*			cis	-157.8	-165.1	-26.8	-95.5	-134.5	130.8	0	0	108.2
663	I	25.3	Very low	31.1	Very low	161 Å²	161	140.3 Å²	140.3	83%	0.826	78%	0.783	S	S	*	*			trans	-133.8	-156.2	-168.5	-3.3	175.1	0	0	0	111.1
664	P	41.9	Very low	31.2	Very low	102 Å²	102	141.8 Å²	141.8	66%	0.662	79%	0.789	S	S	*	*			cis	-143.5	175.1	6.4	46.3	-26.9	0	0	0	119.6
665	L	26	Very low	31	Very low	145 Å²	145	138 Å²	138	76%	0.759	78%	0.784	S	S	*	*			trans	73.7	140.3	143.3	-77.3	159.9	0	0	0	125.5
666	K	24.9	Very low	31.2	Very low	173 Å²	173	138.6 Å²	138.6	75%	0.752	78%	0.782	S	S	*	*			trans	79.6	106.9	141.5	-79.5	172.2	177.7	-179.3	0	124.3
667	T	27.8	Very low	32	Very low	124 Å²	124	140.3 Å²	140.3	76%	0.761	79%	0.785	S	S	*	*				54.2	127.2	107.7	-49.9	0	0	0	0	123.5
668	E	23.3	Very low	31.2	Very low	183 Å²	183	138.8 Å²	138.8	86%	0.855	79%	0.789	S	S	*	*			trans	79.4	167	159.9	-82.4	-154.8	92.6	0	0	122
669	R	29.9	Very low	31.4	Very low	233 Å²	233	135.6 Å²	135.6	88%	0.879	79%	0.788	S	S	*	*			trans	-104.1	179.2	-167.8	-67.7	177.4	163.3	-179.3	-4.8	110.6
670	P	41.9	Very low	31	Very low	114 Å²	114	130.4 Å²	130.4	74%	0.74	78%	0.78	S	S	*	*			cis	-133.9	-168.3	1.7	40.8	-21.8	0	0	0	115.8
671	D	21.3	Very low	30.3	Very low	149 Å²	149	129.6 Å²	129.6	80%	0.797	79%	0.788	S	S	*	*			trans	88	177.7	152.5	-120.2	-57.5	0	0	0	121.7
672	S	29.2	Very low	30.4	Very low	95 Å²	95	126.1 Å²	126.1	66%	0.664	79%	0.789	S	S	*	*			trans	-116.2	-165.6	-149.3	-39.9	0	0	0	0	111.3
673	P	44.7	Very low	31.5	Very low	118 Å²	118	124.2 Å²	124.2	77%	0.766	79%	0.792	S	S	*	*			cis	-144.6	175.6	4.3	44.7	-25.1	0	0	0	118.9
674	A	27.8	Very low	31.6	Very low	101 Å²	101	120 Å²	120	84%	0.835	79%	0.788	S	S	*	*			trans	46.3	137.3	138.3	0	0	0	0	0	124.7
675	A	27.6	Very low	31	Very low	107 Å²	107	127.2 Å²	127.2	88%	0.884	80%	0.802	S	S	*	*			trans	-149.6	138.7	136.5	0	0	0	0	0	111
676	A	31.1	Very low	31.1	Very low	96 Å²	96	125.4 Å²	125.4	79%	0.793	81%	0.808	S	S	*	*			trans	-153.3	160.8	174.7	0	0	0	0	0	110.2
677	P	51.1	Low	31.3	Very low	135 Å²	135	120.5 Å²	120.5	88%	0.877	81%	0.807	S	S	*	*				-140	171.1	107.2	36	-22.4	0	0	0	111.9
678	G	29.4	Very low	31.3	Very low	82 Å²	82	120.7 Å²	120.7	85%	0.845	80%	0.802	S	S	*	*			cis	150.5	145.8	3.8	0	0	0	0	0	108.2
679	S	28.5	Very low	31.4	Very low	120 Å²	120	116.6 Å²	116.6	84%	0.839	78%	0.781	S	S	*	*			cis	-138.5	-173.8	-5.9	69.1	0	0	0	0	109.1
680	G	26.6	Very low	31.2	Very low	63 Å²	63	112.4 Å²	112.4	65%	0.649	77%	0.772	S	S	*	*			cis	97.4	133.7	10.7	0	0	0	0	0	112.2
681	G	27.1	Very low	30.4	Very low	71 Å²	71	115 Å²	115	73%	0.732	77%	0.774	S	S	*	*			cis	-78.8	-158.9	-0.5	0	0	0	0	0	115.7
682	A	29	Very low	30.6	Very low	100 Å²	100	111.6 Å²	111.6	83%	0.826	77%	0.766	S	S	*	*			cis	68.4	151.9	10.6	0	0	0	0	0	116.1
683	P	47.4	Very low	31.1	Very low	136 Å²	136	113 Å²	113	88%	0.883	77%	0.773	S	S	*	*			cis	-106.4	-171.9	8.5	42.4	-35.7	0	0	0	114.5
684	G	28.2	Very low	30.3	Very low	73 Å²	73	117 Å²	117	75%	0.753	78%	0.779	S	S	*	*			cis	149.4	170.2	-14.7	0	0	0	0	0	116.5
685	R	28.9	Very low	30.3	Very low	253 Å²	253	116.6 Å²	116.6	96%	0.955	77%	0.77	S	S	*	*			trans	79.8	108.1	170.6	-94.8	-170.8	171.9	-168.8	-3.8	123
686	A	27.6	Very low	30.5	Very low	107 Å²	107	118.6 Å²	118.6	88%	0.884	77%	0.765	S	S	*	*			trans	78.2	134	130.7	0	0	0	0	0	123.5
687	G	28.1	Very low	30.4	Very low	70 Å²	70	120.6 Å²	120.6	72%	0.722	76%	0.762	S	S	*	*			trans	156	104.5	153.7	0	0	0	0	0	120.2
688	I	28.8	Very low	29.4	Very low	129 Å²	129	122.5 Å²	122.5	66%	0.662	76%	0.757	S	S	*	*				56.6	123.1	128.2	-51.1	-176.2	0	0	0	123.5	E603	E603-I688 WeakPolarHBondContact OE2-CD1 3.38Å; E603-I688 WeakPolarHBondContact OE2-CG1 3.31Å
689	K	25.3	Very low	29.3	Very low	97 Å²	97	126.5 Å²	126.5	42%	0.422	76%	0.757	S	S	.	*			trans	35	145.9	137	-129.6	-159.6	-174.3	-156	0	126.1	E603	E603-K689 HydrophobicContact CB-CD 4.07Å
690	E	25.6	Very low	29.6	Very low	144 Å²	144	125.8 Å²	125.8	67%	0.673	75%	0.753	S	S	*	*			trans	34	149	145.2	-86	-171.7	135.2	0	0	126.8
691	E	24.4	Very low	29.9	Very low	169 Å²	169	133.2 Å²	133.2	79%	0.79	76%	0.761	S	S	*	*			trans	77.6	149.7	144.4	-92.1	-76.9	65.1	0	0	123.5
692	A	26.4	Very low	30.2	Very low	77 Å²	77	134.8 Å²	134.8	64%	0.636	75%	0.75	S	S	*	*			trans	49.4	122	158.8	0	0	0	0	0	121.5
693	P	39	Very low	30.3	Very low	124 Å²	124	140.4 Å²	140.4	81%	0.805	75%	0.749	S	S	*	*			trans	-102.5	115.2	172.3	35.2	-28.5	0	0	0	114.1
694	F	28	Very low	29.3	Very low	202 Å²	202	137 Å²	137	89%	0.886	74%	0.739	S	S	*	*			trans	-153.9	122.3	158.5	-119.5	-76.4	0	0	0	116.2
695	S	28.2	Very low	30.4	Very low	93 Å²	93	139.2 Å²	139.2	65%	0.65	74%	0.74	S	S	*	*			trans	10.5	145.6	159.8	-53.4	0	0	0	0	124.8
696	L	31	Very low	30.4	Very low	149 Å²	149	132.1 Å²	132.1	78%	0.78	73%	0.729	S	S	*	*				153.8	158.9	125.9	-78	171.8	0	0	0	109.1
697	L	29.5	Very low	30.6	Very low	139 Å²	139	135.6 Å²	135.6	73%	0.728	73%	0.727	S	S	*	*			cis	-142	160.2	18.4	-73.2	168.1	0	0	0	113.7
698	F	31	Very low	30.4	Very low	175 Å²	175	137.1 Å²	137.1	77%	0.768	73%	0.726	S	S	*	*			trans	9.2	148.9	145.3	-71.1	-96.9	0	0	0	124.8
699	L	26.8	Very low	30.3	Very low	165 Å²	165	136.9 Å²	136.9	86%	0.864	73%	0.731	S	S	*	*				-167.5	157.2	104.9	-99.4	174.6	0	0	0	113.3
700	S	34.9	Very low	31.3	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	75%	0.747	S	S	*	*			trans	-150.6	152.3	-178.2	-66.2	0	0	0	0	114.5
701	R	32.4	Very low	31.5	Very low	219 Å²	219	135.6 Å²	135.6	83%	0.826	75%	0.748	S	S	*	*			trans	-167.6	153.4	-177.9	-116.7	38.7	-147.7	-144.5	4.7	109.2
702	E	33.7	Very low	31.9	Very low	104 Å²	104	135.5 Å²	135.5	49%	0.486	75%	0.752	S	S	.	*			cis	-170	173.5	-24.8	-148.8	-161	82.6	0	0	111.2
703	R	30.9	Very low	32	Very low	218 Å²	218	139.4 Å²	139.4	82%	0.823	76%	0.76	S	S	*	*			trans	81.6	140.4	152.3	-148.2	159	-67.3	-162.7	1.3	120.6
704	G	25.9	Very low	31.5	Very low	64 Å²	64	138.9 Å²	138.9	66%	0.66	76%	0.759	S	S	*	*			trans	-120.4	-135.2	-178.8	0	0	0	0	0	112.7
705	P	51	Low	31.5	Very low	119 Å²	119	134.7 Å²	134.7	77%	0.773	76%	0.755	S	S	*	*			cis	-149.1	169.9	31.9	42.6	-22.9	0	0	0	120.4
706	S	30.2	Very low	31.6	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	76%	0.764	S	S	*	*			trans	70.8	166.5	155	80.8	0	0	0	0	118.2
707	Q	30.9	Very low	31.6	Very low	179 Å²	179	132.7 Å²	132.7	84%	0.836	77%	0.766	S	S	*	*			cis	-116.3	-140.6	-3.4	-59.9	-178.6	11.4	0	0	109.6
708	S	24.8	Very low	32.4	Very low	102 Å²	102	131.9 Å²	131.9	71%	0.713	77%	0.769	S	S	*	*			cis	-166.7	154.5	-6.3	40	0	0	0	0	109.6
709	T	26.9	Very low	32.6	Very low	125 Å²	125	129.7 Å²	129.7	77%	0.767	77%	0.77	S	S	*	*			trans	-142.7	168.6	168.9	64.1	0	0	0	0	109.8
710	P	46.6	Very low	32.9	Very low	116 Å²	116	130 Å²	130	75%	0.753	77%	0.769	S	S	*	*				-105.4	-168.8	53.2	0	23.9	0	0	0	113
711	S	29.9	Very low	32.8	Very low	98 Å²	98	132.2 Å²	132.2	69%	0.685	77%	0.771	S	S	*	*			cis	83	154.7	16.7	-35	0	0	0	0	116
712	L	32.7	Very low	32.5	Very low	167 Å²	167	131.3 Å²	131.3	87%	0.874	77%	0.773	S	S	*	*			cis	-110	-133.6	-1.1	-73.9	163.6	0	0	0	110.1
713	I	26.8	Very low	32.5	Very low	159 Å²	159	133.2 Å²	133.2	82%	0.815	78%	0.784	S	S	*	*			cis	-144.7	154	4.4	-63.4	174.6	0	0	0	110.5
714	S	29.3	Very low	32.4	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	78%	0.78	S	S	*	*			trans	-51.7	168.8	171	-64.6	0	0	0	0	119.3
715	S	28.9	Very low	32.8	Very low	114 Å²	114	133.3 Å²	133.3	80%	0.797	79%	0.785	S	S	*	*			cis	-178.2	150.2	-16	171.4	0	0	0	0	111
716	A	30	Very low	31.7	Very low	102 Å²	102	135.3 Å²	135.3	84%	0.843	79%	0.789	S	S	*	*			trans	-169.4	156.7	149	0	0	0	0	0	111
717	A	30.6	Very low	31.7	Very low	98 Å²	98	133.3 Å²	133.3	81%	0.81	79%	0.785	S	S	*	*			trans	-137.2	163.9	-169.8	0	0	0	0	0	115.2
718	P	46	Very low	31.7	Very low	122 Å²	122	134.7 Å²	134.7	79%	0.792	79%	0.791	S	S	*	*			trans	-112.2	151.9	-178.4	39.9	-31.9	0	0	0	116.2
719	T	35	Very low	31.9	Very low	129 Å²	129	132.9 Å²	132.9	79%	0.791	79%	0.789	S	S	*	*			trans	-167.5	163.6	164.1	22.6	0	0	0	0	108.1	I721	T719-I721 HydrophobicContact CG2-CD1 4.26Å
720	M	33.5	Very low	32.2	Very low	171 Å²	171	137.4 Å²	137.4	84%	0.842	80%	0.798	S	S	*	*			cis	-134.5	153.2	18.6	-68	-177.7	-71.3	0	0	109.2
721	I	32.5	Very low	31.5	Very low	153 Å²	153	135.5 Å²	135.5	79%	0.785	79%	0.792	S	S	*	*				74.3	114.8	53.6	-56	167.9	0	0	0	115.7	T719	T719-I721 HydrophobicContact CG2-CD1 4.26Å
722	K	26.5	Very low	31.3	Very low	200 Å²	200	139.2 Å²	139.2	87%	0.87	80%	0.8	S	S	*	*			trans	-165.1	156.7	130.5	-169.8	159.3	-178.1	-179.1	0	112.5
723	M	33.2	Very low	31.4	Very low	145 Å²	145	135.4 Å²	135.4	71%	0.714	79%	0.793	S	S	*	*			trans	-118.9	150.4	-178.9	-79.6	162.1	66	0	0	114
724	E	28.9	Very low	31.3	Very low	160 Å²	160	135.5 Å²	135.5	75%	0.748	79%	0.794	S	S	*	*			trans	57.9	122.3	133	-67.3	-168.9	120	0	0	125.9
725	V	34.2	Very low	31.3	Very low	124 Å²	124	132.9 Å²	132.9	75%	0.752	79%	0.785	S	S	*	*				95.8	134.1	117.7	92.4	0	0	0	0	125.2
726	N	29.4	Very low	31.2	Very low	161 Å²	161	136.5 Å²	136.5	86%	0.861	79%	0.789	S	S	*	*			trans	72.9	135.8	152.2	-88.1	-1.3	0	0	0	126
727	G	29.9	Very low	31.1	Very low	63 Å²	63	135.1 Å²	135.1	65%	0.649	78%	0.784	S	S	*	*			trans	153.6	100.5	141.9	0	0	0	0	0	121
728	H	29.9	Very low	32.1	Very low	207 Å²	207	136.4 Å²	136.4	96%	0.958	79%	0.785	S	S	*	*			trans	51.9	150	150	-67.9	85.1	0	0	0	123.1
729	G	29.1	Very low	32.3	Very low	65 Å²	65	136.1 Å²	136.1	67%	0.67	78%	0.783	S	S	*	*			cis	162.3	152.8	-15	0	0	0	0	0	117.3
730	K	34.3	Very low	32.1	Very low	220 Å²	220	137.4 Å²	137.4	96%	0.957	78%	0.784	S	S	*	*			trans	64.8	158.4	160.8	-82.6	-178.7	176	179.3	0	120.2
731	A	31	Very low	32.9	Very low	76 Å²	76	133.7 Å²	133.7	63%	0.628	77%	0.772	S	S	*	*			cis	-128.7	-167	0.1	0	0	0	0	0	110.1
732	M	26.4	Very low	33.1	Very low	176 Å²	176	131.6 Å²	131.6	87%	0.867	78%	0.778	S	S	*	*			cis	-130.9	174.9	10.3	-81.2	-60.9	179.7	0	0	109.2
733	A	33.6	Very low	33.2	Very low	86 Å²	86	125.2 Å²	125.2	71%	0.711	77%	0.769	S	S	*	*			cis	98.2	127.8	25	0	0	0	0	0	113.9
734	L	26	Very low	33.3	Very low	162 Å²	162	124.5 Å²	124.5	85%	0.848	77%	0.772	S	S	*	*			cis	-153.7	162.1	11.9	-176.9	70	0	0	0	109
735	G	28.3	Very low	33.3	Very low	57 Å²	57	124.7 Å²	124.7	59%	0.588	77%	0.773	S	S	*	*			cis	161.1	178.8	-6.9	0	0	0	0	0	112.4
736	E	27.2	Very low	33.1	Very low	190 Å²	190	125.1 Å²	125.1	89%	0.888	78%	0.776	S	S	*	*			trans	67.9	146.9	166.5	-50.4	-175.5	109.1	0	0	117.9
737	G	26.7	Very low	34.1	Very low	72 Å²	72	123.3 Å²	123.3	74%	0.742	77%	0.773	S	S	*	*			cis	-157.9	-175.9	2.9	0	0	0	0	0	114
738	P	53.6	Low	34.3	Very low	126 Å²	126	125.4 Å²	125.4	82%	0.818	78%	0.784	S	S	*	*			trans	-124.3	-159.7	-147.9	47.2	-36.6	0	0	0	115.8
739	P	49.8	Very low	34.1	Very low	115 Å²	115	119 Å²	119	75%	0.747	77%	0.774	S	S	*	*			cis	-138.6	165.5	-19.4	31	-8.7	0	0	0	118.9
740	L	29.3	Very low	34.8	Very low	156 Å²	156	121.6 Å²	121.6	82%	0.817	78%	0.779	S	S	*	*			trans	25	158.6	137.7	-68.1	-175.8	0	0	0	124.9
741	P	50.8	Low	34.5	Very low	93 Å²	93	118.7 Å²	118.7	60%	0.604	77%	0.769	S	S	*	*			cis	-151.1	-162.2	47.8	43.7	-20	0	0	0	119.7	M586	M586-P741 WeakPolarHBondContact SD-CD 3.46Å
742	A	36.7	Very low	34.4	Very low	110 Å²	110	120.8 Å²	120.8	91%	0.909	77%	0.774	S	S	*	*			trans	-158.7	-173.9	-167.7	0	0	0	0	0	116.6
743	G	28.7	Very low	34.7	Very low	65 Å²	65	118 Å²	118	67%	0.67	77%	0.767	S	S	*	*			trans	-173.5	160.7	168.4	0	0	0	0	0	112.2
744	V	36	Very low	34.8	Very low	130 Å²	130	121.7 Å²	121.7	79%	0.788	77%	0.771	S	S	*	*			cis	81.3	136	12.1	-177.1	0	0	0	0	114.7
745	Q	29.5	Very low	35.3	Very low	165 Å²	165	116.8 Å²	116.8	77%	0.771	76%	0.76	S	S	*	*			cis	-108.2	-178.5	4.6	-57.2	79	14.6	0	0	113.5
746	V	29.3	Very low	36.4	Very low	132 Å²	132	120.7 Å²	120.7	80%	0.8	78%	0.775	S	S	*	*			cis	89.1	117.6	7	-179.5	0	0	0	0	117.4
747	P	51	Low	36.8	Very low	124 Å²	124	115.1 Å²	115.1	81%	0.805	77%	0.768	S	S	*	*				-159.7	165.6	97.9	43.5	-23.5	0	0	0	121.8
748	A	33	Very low	37.6	Very low	107 Å²	107	120 Å²	120	88%	0.884	78%	0.776	S	S	*	*			trans	81	148.6	147.1	0	0	0	0	0	123.9
749	G	25.9	Very low	37	Very low	71 Å²	71	118.5 Å²	118.5	73%	0.732	78%	0.775	S	S	*	*			trans	-129.1	-139	173.7	0	0	0	0	0	111.1
750	P	44.3	Very low	36.8	Very low	120 Å²	120	118.3 Å²	118.3	78%	0.779	77%	0.774	S	S	*	*			cis	-146.9	-167.8	1	45.9	-26.5	0	0	0	116.5
751	Q	28.7	Very low	37.1	Very low	159 Å²	159	119.1 Å²	119.1	74%	0.743	78%	0.775	S	S	*	*			trans	76.3	147.1	151.2	-72.7	-62.6	-3.4	0	0	124.3
752	T	28.6	Very low	36.7	Very low	120 Å²	120	123.2 Å²	123.2	74%	0.736	79%	0.791	S	S	*	*			trans	62.4	151.8	152.7	47.8	0	0	0	0	121.4
753	V	32.5	Very low	36.9	Very low	119 Å²	119	122.2 Å²	122.2	72%	0.721	78%	0.783	S	S	*	*			cis	-168	176.6	-27.4	76.4	0	0	0	0	109.9
754	M	36.1	Very low	38.1	Very low	162 Å²	162	124.8 Å²	124.8	80%	0.798	79%	0.788	S	S	*	*			trans	76	133	175.8	-70	-53.2	94.9	0	0	119.8
755	G	35.5	Very low	39	Very low	60 Å²	60	124 Å²	124	62%	0.619	79%	0.786	S	S	*	*			trans	-115.4	-159.4	136.1	0	0	0	0	0	108.2
756	P	50.6	Low	40	Very low	139 Å²	139	122.2 Å²	122.2	90%	0.903	79%	0.788	S	S	*	*			cis	-118.8	172.8	1.6	41	-29.1	0	0	0	113.5
757	G	37.3	Very low	40.7	Very low	72 Å²	72	127.3 Å²	127.3	74%	0.742	79%	0.793	S	S	*	*			trans	-167.9	93.5	175.9	0	0	0	0	0	115
758	L	42	Very low	40.8	Very low	174 Å²	174	133 Å²	133	91%	0.911	80%	0.798	S	S	*	*			trans	25.1	110.5	156.8	-54.1	177.9	0	0	0	119
759	A	42.6	Very low	41.9	Very low	96 Å²	96	134.1 Å²	134.1	79%	0.793	79%	0.794	S	S	*	*			trans	-67.5	159.2	153.8	0	0	0	0	0	110.4
760	P	44.2	Very low	43.4	Very low	111 Å²	111	135.7 Å²	135.7	72%	0.721	79%	0.792	S	S	*	*				-151.6	170.5	94.5	41.8	-25.7	0	0	0	117.2
761	M	37.1	Very low	44.3	Very low	173 Å²	173	139 Å²	139	85%	0.852	79%	0.794	S	S	*	*			trans	69	105.5	161.9	-63.9	-54.5	96.2	0	0	119.9
762	L	41.6	Very low	46.7	Very low	178 Å²	178	137.4 Å²	137.4	93%	0.932	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-60.8	128	162.1	-65.3	158.4	0	0	0	111.6
763	A	41.4	Very low	49.3	Very low	89 Å²	89	134.8 Å²	134.8	74%	0.736	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-77.4	144.9	160.2	0	0	0	0	0	110.4
764	P	53	Low	51.9	Low	119 Å²	119	133.6 Å²	133.6	77%	0.773	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-65.5	141.6	175.6	-19.6	32.2	0	0	0	112
765	P	54.8	Low	54.4	Low	115 Å²	115	125.9 Å²	125.9	75%	0.747	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-66.6	149.4	-179	27.1	-34.8	0	0	0	112.5
766	P	51.5	Low	56.6	Low	126 Å²	126	131.6 Å²	131.6	82%	0.818	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-66.6	137	-174	26.3	-34.6	0	0	0	112.6	R768	P766-R768 PolarHBondContact O-N 3.14Å
767	R	44.1	Very low	58	Low	239 Å²	239	128.7 Å²	128.7	90%	0.902	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-69.4	116.2	177.3	-58.3	179.8	-163.1	-102.2	0	109.6	T769	R767-T769 PolarHBondContact O-N 2.74Å
768	R	52.8	Low	60.2	Low	243 Å²	243	127.5 Å²	127.5	92%	0.917	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-57.8	122	170.9	-66.4	179.5	178.7	172.6	-1	109.6	P766	P766-R768 PolarHBondContact O-N 3.14Å
769	T	56	Low	62.2	Low	131 Å²	131	122.1 Å²	122.1	80%	0.804	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-71.3	128.8	171.8	42.9	0	0	0	0	109.6	R767 K771	R767-T769 PolarHBondContact O-N 2.74Å; T769-K771 PolarHBondContact O-N 2.72Å
770	P	57.7	Low	64.2	Low	105 Å²	105	122.2 Å²	122.2	68%	0.682	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-71.5	127.5	176.5	28.2	-32.7	0	0	0	109.8	Q772	P770-Q772 PolarHBondContact O-N 3.11Å
771	K	62.6	Low	66.1	Low	189 Å²	189	120.7 Å²	120.7	82%	0.822	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-58.9	121.9	171.8	-74.1	-174.8	175.2	-177.8	0	109	T769	T769-K771 PolarHBondContact O-N 2.72Å
772	Q	78.8	Confident	68.6	Low	125 Å²	125	114.7 Å²	114.7	58%	0.584	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-83.8	142.6	176.3	-59.1	-173	26.5	0	0	109.7	P770	P770-Q772 PolarHBondContact O-N 3.11Å
773	H	82.9	Confident	70.8	Confident	66 Å²	66	111.7 Å²	111.7	31%	0.306	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	114.7	-179.8	-70.8	-87.1	0	0	0	109.6	T781 F782 S784 A785 L788	H773-T781 CarbonylContact O-C 3.38Å; H773-F782 PolarHBondContact N-O 2.99Å; H773-F782 PolarHBondContact O-N 3.43Å; H773-S784 VanDerWaalsContact CD2-C 3.47Å; H773-A785 PolarHBondContact CD2-N 3.17Å; H773-L788 HydrophobicContact CB-CB 4.05Å; H773-L788 HydrophobicContact CB-CD2 3.84Å
774	N	86.9	Confident	73	Confident	93 Å²	93	109.2 Å²	109.2	50%	0.497	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.7	133.5	-171.2	-28.8	-62.5	0	0	0	110.3	Q776	N774-Q776 PolarHBondContact O-N 3.39Å
775	C	89	Confident	74.6	Confident	0 Å²	0	106 Å²	106	0%	0	57%	0.573	C	S	.	*			trans	-82.9	109.5	173.4	-174.6	0	0	0	0	111	S777 C778 G779 K780 F782 L788	C775-S777 PolarHBondContact O-N 2.98Å; C775-S777 VanDerWaalsContact O-N 3.14Å; C775-C778 PolarHBondContact O-N 3.2Å; C775-G779 PolarHBondContact O-N 3.02Å; C775-K780 PolarHBondContact N-O 3.36Å; C775-F782 HydrophobicContact CB-CE2 4.07Å; C775-L788 VanDerWaalsContact CA-CD1 3.41Å; C775-L788 HydrophobicContact CB-CD1 3.41Å; C775-L788 VanDerWaalsContact CB-CD1 3.41Å
776	Q	82	Confident	76.1	Confident	180 Å²	180	104.1 Å²	104.1	84%	0.841	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-30.9	-176.6	-158.9	66.8	3.3	0	0	112.9	N774 C778	N774-Q776 PolarHBondContact O-N 3.39Å; Q776-C778 VanDerWaalsContact C-N 3.33Å; Q776-C778 PolarHBondContact O-N 3.42Å
777	S	79.3	Confident	77.7	Confident	79 Å²	79	99.7 Å²	99.7	55%	0.552	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.5	179.9	-35	0	0	0	0	114.8	C775	C775-S777 PolarHBondContact O-N 2.98Å; C775-S777 VanDerWaalsContact O-N 3.14Å
778	C	83.3	Confident	79.8	Confident	46 Å²	46	89.1 Å²	89.1	31%	0.311	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.5	7.8	-175.5	71.6	0	0	0	0	117.1	C775 Q776 K780 H791 H795	C775-C778 PolarHBondContact O-N 3.2Å; Q776-C778 VanDerWaalsContact C-N 3.33Å; Q776-C778 PolarHBondContact O-N 3.42Å; C778-K780 PolarHBondContact O-N 3.47Å; C778-K780 VanDerWaalsContact O-N 3.15Å; C778-K780 PolarHBondContact SG-NZ 3.24Å; C778-H791 PolarHBondContact SG-NE2 2.95Å; C778-H795 WeakPolarHBondContact CB-NE2 3.34Å
779	G	84.4	Confident	81.4	Confident	62 Å²	62	82.5 Å²	82.5	64%	0.639	48%	0.477	S	S	*	.			trans	69.1	4.7	176.2	0	0	0	0	0	116.3	C775	C775-G779 PolarHBondContact O-N 3.02Å
780	K	84.9	Confident	82.8	Confident	97 Å²	97	79.6 Å²	79.6	42%	0.422	46%	0.456	S	S	.	.			trans	-75.2	129.5	-179	-65.6	-174.9	-154.8	106.5	0	111.3	C775 C778 F782 H791	C775-K780 PolarHBondContact N-O 3.36Å; C778-K780 PolarHBondContact O-N 3.47Å; C778-K780 VanDerWaalsContact O-N 3.15Å; C778-K780 PolarHBondContact SG-NZ 3.24Å; K780-F782 HydrophobicContact CB-CE2 3.62Å; K780-F782 HydrophobicContact CB-CZ 3.91Å; K780-F782 HydrophobicContact CD-CZ 4.44Å; K780-F782 WeakPolarHBondContact O-CD2 3.5Å; K780-F782 WeakPolarHBondContact O-CE2 3.34Å; K780-H791 PolarHBondContact NZ-CE1 2.98Å; K780-H791 VanDerWaalsContact NZ-CE1 3.27Å; K780-H791 PolarHBondContact NZ-NE2 2.95Å
781	T	85.2	Confident	84	Confident	79 Å²	79	76 Å²	76	49%	0.485	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	140.9	173.3	54.8	0	0	0	0	111.5	H773	H773-T781 CarbonylContact O-C 3.38Å
782	F	88.2	Confident	85	Confident	48 Å²	48	70.1 Å²	70.1	21%	0.211	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.6	178.9	-64.8	-86.4	0	0	0	110.2	H773 C775 K780 S784 A787 L788 H791	H773-F782 PolarHBondContact N-O 2.99Å; H773-F782 PolarHBondContact O-N 3.43Å; C775-F782 HydrophobicContact CB-CE2 4.07Å; K780-F782 HydrophobicContact CB-CE2 3.62Å; K780-F782 HydrophobicContact CB-CZ 3.91Å; K780-F782 HydrophobicContact CD-CZ 4.44Å; K780-F782 WeakPolarHBondContact O-CD2 3.5Å; K780-F782 WeakPolarHBondContact O-CE2 3.34Å; F782-S784 PolarHBondContact O-N 3.22Å; F782-A787 HydrophobicContact CB-CB 4.12Å; F782-A787 HydrophobicContact CD1-CB 3.94Å; F782-A787 HydrophobicContact CG-CB 4.35Å; F782-L788 HydrophobicContact CB-CB 4.31Å; F782-L788 HydrophobicContact CD2-CB 4.13Å; F782-L788 HydrophobicContact CD2-CD1 4.02Å; F782-L788 HydrophobicContact CE2-CD1 4.3Å; F782-L788 HydrophobicContact CG-CB 4.37Å; F782-H791 HydrophobicContact CE1-CB 4.07Å; F782-H791 HydrophobicContact CE2-CB 3.97Å; F782-H791 AromaticContact CE2-CD2 3.45Å; F782-H791 VanDerWaalsContact CE2-CD2 3.45Å; F782-H791 WeakPolarHBondContact CE2-CD2 3.43Å; F782-H791 AromaticContact CE2-CG 3.93Å; F782-H791 HydrophobicContact CZ-CB 3.55Å; F782-H791 AromaticContact CZ-CD2 3.28Å; F782-H791 WeakPolarHBondContact CZ-CD2 3.4Å; F782-H791 AromaticContact CZ-CG 3.43Å; F782-H791 VanDerWaalsContact CZ-CG 3.43Å
783	S	88	Confident	85.2	Confident	114 Å²	114	67 Å²	67	80%	0.797	39%	0.388	S	S	*	.	S	Bend	trans	-77.9	-3.1	178.3	50.1	0	0	0	0	114.3
784	S	88.4	Confident	85	Confident	37 Å²	37	67.4 Å²	67.4	26%	0.259	40%	0.396	S	S	.	.	S	Bend	trans	-153	151.7	173.6	73.2	0	0	0	0	112.4	H773 F782 S786 A787 L788	H773-S784 VanDerWaalsContact CD2-C 3.47Å; F782-S784 PolarHBondContact O-N 3.22Å; S784-S786 PolarHBondContact O-N 3.26Å; S784-S786 PolarHBondContact OG-OG 2.82Å; S784-A787 PolarHBondContact O-N 3.07Å; S784-A787 WeakPolarHBondContact OG-CB 3.24Å; S784-A787 PolarHBondContact OG-N 3.31Å; S784-L788 PolarHBondContact O-N 3.08Å; S784-L788 VanDerWaalsContact O-N 3.11Å
785	A	86.9	Confident	84.6	Confident	52 Å²	52	67.7 Å²	67.7	43%	0.43	39%	0.394	S	S	.	.	H	α-helix	trans	-57.1	-34.9	170.5	0	0	0	0	0	112.4	H773 L788 Q789	H773-A785 PolarHBondContact CD2-N 3.17Å; A785-L788 PolarHBondContact O-N 2.85Å; A785-Q789 WeakPolarHBondContact O-CB 3.37Å; A785-Q789 PolarHBondContact O-N 3.44Å
786	S	86.1	Confident	84	Confident	76 Å²	76	72 Å²	72	53%	0.531	42%	0.42	S	S	.	.	H	α-helix	trans	-66.7	-38.6	177.7	53.4	0	0	0	0	112.9	S784 I790	S784-S786 PolarHBondContact O-N 3.26Å; S784-S786 PolarHBondContact OG-OG 2.82Å; S786-I790 WeakPolarHBondContact O-CB 3.49Å; S786-I790 WeakPolarHBondContact O-CD1 3.42Å; S786-I790 WeakPolarHBondContact O-CG1 3.41Å; S786-I790 PolarHBondContact O-N 3.09Å; S786-I790 VanDerWaalsContact O-N 3.1Å
787	A	84.7	Confident	83.9	Confident	32 Å²	32	64.9 Å²	64.9	26%	0.264	40%	0.395	S	S	.	.	H	α-helix	trans	-69.4	-38.2	174.8	0	0	0	0	0	111.5	F782 S784 I790 H791	F782-A787 HydrophobicContact CB-CB 4.12Å; F782-A787 HydrophobicContact CD1-CB 3.94Å; F782-A787 HydrophobicContact CG-CB 4.35Å; S784-A787 PolarHBondContact O-N 3.07Å; S784-A787 WeakPolarHBondContact OG-CB 3.24Å; S784-A787 PolarHBondContact OG-N 3.31Å; A787-I790 PolarHBondContact O-N 3.08Å; A787-H791 PolarHBondContact O-N 3.08Å
788	L	88.7	Confident	83.7	Confident	18 Å²	18	66.5 Å²	66.5	9%	0.094	39%	0.394	C	S	.	.	H	α-helix	trans	-59.6	-53.1	171.3	171.3	58.4	0	0	0	111.6	H773 C775 F782 S784 A785 I790 H791 E792	H773-L788 HydrophobicContact CB-CB 4.05Å; H773-L788 HydrophobicContact CB-CD2 3.84Å; C775-L788 VanDerWaalsContact CA-CD1 3.41Å; C775-L788 HydrophobicContact CB-CD1 3.41Å; C775-L788 VanDerWaalsContact CB-CD1 3.41Å; F782-L788 HydrophobicContact CB-CB 4.31Å; F782-L788 HydrophobicContact CD2-CB 4.13Å; F782-L788 HydrophobicContact CD2-CD1 4.02Å; F782-L788 HydrophobicContact CE2-CD1 4.3Å; F782-L788 HydrophobicContact CG-CB 4.37Å; S784-L788 PolarHBondContact O-N 3.08Å; S784-L788 VanDerWaalsContact O-N 3.11Å; A785-L788 PolarHBondContact O-N 2.85Å; L788-I790 PolarHBondContact O-N 2.98Å; L788-H791 CarbonylContact O-C 3.56Å; L788-H791 VanDerWaalsContact O-CA 3.31Å; L788-H791 WeakPolarHBondContact O-CA 3.27Å; L788-H791 VanDerWaalsContact O-CB 3.32Å; L788-H791 WeakPolarHBondContact O-CB 3.45Å; L788-H791 PolarHBondContact O-N 3.48Å; L788-E792 HydrophobicContact CD1-CG 3.87Å; L788-E792 WeakPolarHBondContact CD1-OE1 3.49Å; L788-E792 HydrophobicContact CG-CG 4.35Å; L788-E792 WeakPolarHBondContact CG-OE1 3.48Å; L788-E792 PolarHBondContact O-N 2.87Å
789	Q	85.3	Confident	83.7	Confident	103 Å²	103	69.6 Å²	69.6	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-64.6	-26.9	-177.9	-156	-151.2	47.4	0	0	113	A785 E792 R793	A785-Q789 WeakPolarHBondContact O-CB 3.37Å; A785-Q789 PolarHBondContact O-N 3.44Å; Q789-E792 WeakPolarHBondContact CA-OE2 3.38Å; Q789-R793 VanDerWaalsContact CD-NH1 3.33Å; Q789-R793 PolarHBondContact O-NH1 3.41Å
790	I	84.7	Confident	83.5	Confident	71 Å²	71	70.7 Å²	70.7	36%	0.364	40%	0.398	S	S	.	.	H	α-helix	trans	-73.3	-32.8	170.6	-69.5	165.9	0	0	0	110.9	S786 A787 L788 T812	S786-I790 WeakPolarHBondContact O-CB 3.49Å; S786-I790 WeakPolarHBondContact O-CD1 3.42Å; S786-I790 WeakPolarHBondContact O-CG1 3.41Å; S786-I790 PolarHBondContact O-N 3.09Å; S786-I790 VanDerWaalsContact O-N 3.1Å; A787-I790 PolarHBondContact O-N 3.08Å; L788-I790 PolarHBondContact O-N 2.98Å; I790-T812 HydrophobicContact CB-CG2 4.32Å; I790-T812 HydrophobicContact CD1-CG2 3.95Å; I790-T812 HydrophobicContact CG1-CG2 3.86Å; I790-T812 HydrophobicContact CG2-CG2 3.51Å
791	H	83.9	Confident	83.5	Confident	28 Å²	28	69.2 Å²	69.2	13%	0.13	39%	0.392	C	S	.	.	H	α-helix	trans	-74.3	-36.9	174.7	-173.1	37.2	0	0	0	113.1	C778 K780 F782 A787 L788 R793 T794	C778-H791 PolarHBondContact SG-NE2 2.95Å; K780-H791 PolarHBondContact NZ-CE1 2.98Å; K780-H791 VanDerWaalsContact NZ-CE1 3.27Å; K780-H791 PolarHBondContact NZ-NE2 2.95Å; F782-H791 HydrophobicContact CE1-CB 4.07Å; F782-H791 HydrophobicContact CE2-CB 3.97Å; F782-H791 AromaticContact CE2-CD2 3.45Å; F782-H791 VanDerWaalsContact CE2-CD2 3.45Å; F782-H791 WeakPolarHBondContact CE2-CD2 3.43Å; F782-H791 AromaticContact CE2-CG 3.93Å; F782-H791 HydrophobicContact CZ-CB 3.55Å; F782-H791 AromaticContact CZ-CD2 3.28Å; F782-H791 WeakPolarHBondContact CZ-CD2 3.4Å; F782-H791 AromaticContact CZ-CG 3.43Å; F782-H791 VanDerWaalsContact CZ-CG 3.43Å; A787-H791 PolarHBondContact O-N 3.08Å; L788-H791 CarbonylContact O-C 3.56Å; L788-H791 VanDerWaalsContact O-CA 3.31Å; L788-H791 WeakPolarHBondContact O-CA 3.27Å; L788-H791 VanDerWaalsContact O-CB 3.32Å; L788-H791 WeakPolarHBondContact O-CB 3.45Å; L788-H791 PolarHBondContact O-N 3.48Å; H791-R793 VanDerWaalsContact C-N 3.25Å; H791-R793 PolarHBondContact O-N 2.94Å; H791-T794 PolarHBondContact CE1-OG1 3.49Å; H791-T794 PolarHBondContact ND1-OG1 2.87Å; H791-T794 WeakPolarHBondContact O-CA 3.46Å; H791-T794 VanDerWaalsContact O-CB 3.29Å; H791-T794 WeakPolarHBondContact O-CB 3.1Å; H791-T794 PolarHBondContact O-N 2.79Å; H791-T794 PolarHBondContact O-OG1 3.1Å
792	E	84.5	Confident	83.5	Confident	67 Å²	67	67.6 Å²	67.6	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-34.2	178.7	-72.8	165.4	156.2	0	0	112.1	L788 Q789 T794 H795 T796	L788-E792 HydrophobicContact CD1-CG 3.87Å; L788-E792 WeakPolarHBondContact CD1-OE1 3.49Å; L788-E792 HydrophobicContact CG-CG 4.35Å; L788-E792 WeakPolarHBondContact CG-OE1 3.48Å; L788-E792 PolarHBondContact O-N 2.87Å; Q789-E792 WeakPolarHBondContact CA-OE2 3.38Å; E792-T794 PolarHBondContact O-N 3.44Å; E792-T794 VanDerWaalsContact O-N 3.07Å; E792-H795 WeakPolarHBondContact O-CA 3.36Å; E792-H795 WeakPolarHBondContact O-CB 3.47Å; E792-H795 PolarHBondContact O-N 3.29Å; E792-T796 PolarHBondContact O-N 3.21Å; E792-T796 VanDerWaalsContact O-N 3.08Å
793	R	82.9	Confident	83.6	Confident	58 Å²	58	65.5 Å²	65.5	22%	0.219	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-9.8	169.2	-66.8	178.6	-176.4	98.5	-7.3	114.6	Q789 H791 T796 G797 T811	Q789-R793 VanDerWaalsContact CD-NH1 3.33Å; Q789-R793 PolarHBondContact O-NH1 3.41Å; H791-R793 VanDerWaalsContact C-N 3.25Å; H791-R793 PolarHBondContact O-N 2.94Å; R793-T796 WeakPolarHBondContact CA-OG1 3.3Å; R793-G797 WeakPolarHBondContact O-CA 3.21Å; R793-G797 PolarHBondContact O-N 3.22Å; R793-T811 HydrophobicContact CB-CG2 4.06Å
794	T	78.1	Confident	83.4	Confident	76 Å²	76	66.5 Å²	66.5	47%	0.466	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-13.1	168.9	75	0	0	0	0	113.3	H791 E792	H791-T794 PolarHBondContact CE1-OG1 3.49Å; H791-T794 PolarHBondContact ND1-OG1 2.87Å; H791-T794 WeakPolarHBondContact O-CA 3.46Å; H791-T794 VanDerWaalsContact O-CB 3.29Å; H791-T794 WeakPolarHBondContact O-CB 3.1Å; H791-T794 PolarHBondContact O-N 2.79Å; H791-T794 PolarHBondContact O-OG1 3.1Å; E792-T794 PolarHBondContact O-N 3.44Å; E792-T794 VanDerWaalsContact O-N 3.07Å
795	H	77.3	Confident	82.9	Confident	99 Å²	99	69.3 Å²	69.3	46%	0.458	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-46.2	170.8	-61.1	-60.5	0	0	0	111.6	C778 E792 G797	C778-H795 WeakPolarHBondContact CB-NE2 3.34Å; E792-H795 WeakPolarHBondContact O-CA 3.36Å; E792-H795 WeakPolarHBondContact O-CB 3.47Å; E792-H795 PolarHBondContact O-N 3.29Å; H795-G797 PolarHBondContact O-N 3.2Å
796	T	78.1	Confident	82.8	Confident	89 Å²	89	69.3 Å²	69.3	55%	0.546	39%	0.391	S	S	.	.	S	Bend	trans	-68.4	-22.1	172.8	66	0	0	0	0	112.2	E792 R793 E798	E792-T796 PolarHBondContact O-N 3.21Å; E792-T796 VanDerWaalsContact O-N 3.08Å; R793-T796 WeakPolarHBondContact CA-OG1 3.3Å; T796-E798 PolarHBondContact O-N 3.36Å; T796-E798 WeakPolarHBondContact OG1-CG 3.25Å; T796-E798 PolarHBondContact OG1-N 3.4Å; T796-E798 PolarHBondContact OG1-OE2 3.16Å
797	G	78.1	Confident	82.6	Confident	32 Å²	32	68.8 Å²	68.8	33%	0.33	40%	0.398	S	S	.	.			trans	75.5	-2.1	-179.4	0	0	0	0	0	114.2	R793 H795 K799	R793-G797 WeakPolarHBondContact O-CA 3.21Å; R793-G797 PolarHBondContact O-N 3.22Å; H795-G797 PolarHBondContact O-N 3.2Å; G797-K799 WeakPolarHBondContact O-CG 3.45Å; G797-K799 PolarHBondContact O-NZ 2.96Å
798	E	76.9	Confident	82.6	Confident	113 Å²	113	74.2 Å²	74.2	53%	0.528	41%	0.411	S	S	.	.			trans	-60.4	135.1	-179.9	-66.6	167.8	145.9	0	0	112.3	T796	T796-E798 PolarHBondContact O-N 3.36Å; T796-E798 WeakPolarHBondContact OG1-CG 3.25Å; T796-E798 PolarHBondContact OG1-N 3.4Å; T796-E798 PolarHBondContact OG1-OE2 3.16Å
799	K	81.6	Confident	82.4	Confident	111 Å²	111	75.4 Å²	75.4	48%	0.483	42%	0.424	S	S	.	.			trans	-136.2	77.6	-178	-65.3	171.1	-166.4	79.5	0	109.8	G797 F801 A809 F810 T811	G797-K799 WeakPolarHBondContact O-CG 3.45Å; G797-K799 PolarHBondContact O-NZ 2.96Å; K799-F801 PolarHBondContact O-N 2.1Å; K799-A809 HydrophobicContact CB-CB 3.42Å; K799-A809 VanDerWaalsContact CB-CB 3.42Å; K799-A809 HydrophobicContact CD-CB 4.08Å; K799-A809 WeakPolarHBondContact CD-O 3.46Å; K799-A809 HydrophobicContact CG-CB 4.37Å; K799-F810 CarbonylContact C-O 3.57Å; K799-F810 VanDerWaalsContact C-O 3.31Å; K799-F810 WeakPolarHBondContact CA-O 3.48Å; K799-T811 HydrophobicContact CG-CG2 4.18Å
800	P	80.3	Confident	82.4	Confident	85 Å²	85	72 Å²	72	55%	0.552	41%	0.408	S	S	*	.			trans	-62.7	-18.1	-173.8	-23.5	34.7	0	0	0	114.4	G802	P800-G802 PolarHBondContact O-N 3.05Å
801	F	85.1	Confident	82.4	Confident	66 Å²	66	70 Å²	70	29%	0.289	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	81.9	-171.3	-56.6	-74	0	0	0	111.1	K799 F810 T812 K813 L816	K799-F801 PolarHBondContact O-N 2.1Å; F801-F810 HydrophobicContact CB-CB 4.33Å; F801-F810 WeakPolarHBondContact CB-O 2.97Å; F801-F810 PolarHBondContact N-O 2.53Å; F801-F810 PolarHBondContact O-N 2.95Å; F801-T812 VanDerWaalsContact CD2-CA 3.47Å; F801-K813 HydrophobicContact CD1-CB 3.86Å; F801-K813 HydrophobicContact CD1-CG 4.3Å; F801-K813 HydrophobicContact CE1-CB 3.73Å; F801-K813 HydrophobicContact CE1-CD 4.45Å; F801-K813 HydrophobicContact CE1-CG 4.27Å; F801-K813 HydrophobicContact CG-CB 4.36Å; F801-K813 HydrophobicContact CZ-CB 4.1Å; F801-L816 HydrophobicContact CB-CB 4.03Å; F801-L816 HydrophobicContact CB-CD2 3.86Å
802	G	85.5	Confident	82.4	Confident	45 Å²	45	69.7 Å²	69.7	46%	0.464	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.8	175.5	0	0	0	0	0	113.8	P800 L816	P800-G802 PolarHBondContact O-N 3.05Å; G802-L816 WeakPolarHBondContact O-CD2 3.34Å
803	C	90.1	Very high	82.5	Confident	4 Å²	4	74 Å²	74	3%	0.027	42%	0.416	C	S	.	.			trans	-88.4	113.1	167.9	169.4	0	0	0	0	110.3	I805 C806 G807 R808 F810 L816 H819 M820 H823	C803-I805 PolarHBondContact O-N 2.83Å; C803-C806 PolarHBondContact O-N 3.31Å; C803-C806 PolarHBondContact SG-N 2.67Å; C803-C806 VanDerWaalsContact SG-N 3.36Å; C803-C806 PolarHBondContact SG-SG 3.48Å; C803-G807 VanDerWaalsContact O-CA 3.28Å; C803-G807 WeakPolarHBondContact O-CA 3.03Å; C803-G807 PolarHBondContact O-N 3.48Å; C803-R808 HydrophobicContact CB-CB 4.27Å; C803-R808 WeakPolarHBondContact CB-O 3.42Å; C803-R808 PolarHBondContact N-O 3.16Å; C803-F810 HydrophobicContact CB-CE2 4.29Å; C803-L816 HydrophobicContact CB-CD1 3.9Å; C803-H819 PolarHBondContact SG-NE2 3.1Å; C803-M820 HydrophobicContact CB-CE 3.98Å; C803-M820 WeakPolarHBondContact SG-CE 3.24Å; C803-H823 PolarHBondContact SG-NE2 2.94Å
804	T	84.5	Confident	82.7	Confident	134 Å²	134	73.3 Å²	73.3	82%	0.822	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.1	176.7	49.4	0	0	0	0	113.4
805	I	78.3	Confident	83	Confident	96 Å²	96	73.6 Å²	73.6	49%	0.492	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-21.6	-173	-52.4	172.1	0	0	0	113.1	C803 M820 H823	C803-I805 PolarHBondContact O-N 2.83Å; I805-M820 HydrophobicContact CD1-CE 4.26Å; I805-M820 HydrophobicContact CD1-SD 4.07Å; I805-H823 HydrophobicContact CB-CB 4.49Å; I805-H823 HydrophobicContact CD1-CB 3.61Å; I805-H823 HydrophobicContact CG2-CB 4.18Å; I805-H823 WeakPolarHBondContact CG2-ND1 3.37Å
806	C	83.9	Confident	83.6	Confident	52 Å²	52	70.3 Å²	70.3	35%	0.351	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.3	18.1	179.1	73.1	0	0	0	0	116.2	C803 R808 H819 H823	C803-C806 PolarHBondContact O-N 3.31Å; C803-C806 PolarHBondContact SG-N 2.67Å; C803-C806 VanDerWaalsContact SG-N 3.36Å; C803-C806 PolarHBondContact SG-SG 3.48Å; C806-R808 PolarHBondContact O-N 3.36Å; C806-H819 PolarHBondContact SG-NE2 2.86Å; C806-H823 WeakPolarHBondContact CB-CE1 3.49Å; C806-H823 PolarHBondContact SG-CE1 3.15Å; C806-H823 PolarHBondContact SG-NE2 3.45Å
807	G	82.1	Confident	84.1	Confident	66 Å²	66	74 Å²	74	68%	0.68	42%	0.421	S	S	*	.			trans	67.4	-4.3	177	0	0	0	0	0	116	C803 A809	C803-G807 VanDerWaalsContact O-CA 3.28Å; C803-G807 WeakPolarHBondContact O-CA 3.03Å; C803-G807 PolarHBondContact O-N 3.48Å; G807-A809 PolarHBondContact O-N 2.93Å; G807-A809 VanDerWaalsContact O-N 3.16Å
808	R	84.3	Confident	84.5	Confident	145 Å²	145	77.8 Å²	77.8	55%	0.547	44%	0.437	S	S	.	.			trans	-67.4	114.8	-179	-69.9	-175.5	70.3	-166.4	0.3	110.9	C803 C806 F810	C803-R808 HydrophobicContact CB-CB 4.27Å; C803-R808 WeakPolarHBondContact CB-O 3.42Å; C803-R808 PolarHBondContact N-O 3.16Å; C806-R808 PolarHBondContact O-N 3.36Å; R808-F810 HydrophobicContact CB-CE2 3.81Å; R808-F810 HydrophobicContact CB-CZ 4.12Å; R808-F810 VanDerWaalsContact O-CD2 3.25Å; R808-F810 WeakPolarHBondContact O-CD2 3.28Å; R808-F810 WeakPolarHBondContact O-CE2 3.47Å
809	A	86.1	Confident	84.9	Confident	44 Å²	44	73.2 Å²	73.2	36%	0.364	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	147.3	176.3	0	0	0	0	0	112.1	K799 G807	K799-A809 HydrophobicContact CB-CB 3.42Å; K799-A809 VanDerWaalsContact CB-CB 3.42Å; K799-A809 HydrophobicContact CD-CB 4.08Å; K799-A809 WeakPolarHBondContact CD-O 3.46Å; K799-A809 HydrophobicContact CG-CB 4.37Å; G807-A809 PolarHBondContact O-N 2.93Å; G807-A809 VanDerWaalsContact O-N 3.16Å
810	F	85	Confident	85	Confident	32 Å²	32	69.9 Å²	69.9	14%	0.14	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.4	-178.7	-63.8	-93.7	0	0	0	111.9	K799 F801 C803 R808 T812 N815 L816 H819	K799-F810 CarbonylContact C-O 3.57Å; K799-F810 VanDerWaalsContact C-O 3.31Å; K799-F810 WeakPolarHBondContact CA-O 3.48Å; F801-F810 HydrophobicContact CB-CB 4.33Å; F801-F810 WeakPolarHBondContact CB-O 2.97Å; F801-F810 PolarHBondContact N-O 2.53Å; F801-F810 PolarHBondContact O-N 2.95Å; C803-F810 HydrophobicContact CB-CE2 4.29Å; R808-F810 HydrophobicContact CB-CE2 3.81Å; R808-F810 HydrophobicContact CB-CZ 4.12Å; R808-F810 VanDerWaalsContact O-CD2 3.25Å; R808-F810 WeakPolarHBondContact O-CD2 3.28Å; R808-F810 WeakPolarHBondContact O-CE2 3.47Å; F810-T812 VanDerWaalsContact C-N 3.31Å; F810-T812 PolarHBondContact O-N 2.76Å; F810-N815 HydrophobicContact CB-CB 4.26Å; F810-N815 HydrophobicContact CD1-CB 3.92Å; F810-N815 HydrophobicContact CG-CB 4.37Å; F810-L816 HydrophobicContact CB-CB 4.46Å; F810-L816 HydrophobicContact CD2-CB 4.27Å; F810-L816 HydrophobicContact CD2-CD1 4.07Å; F810-L816 HydrophobicContact CE2-CD1 4.36Å; F810-H819 HydrophobicContact CE1-CB 4.19Å; F810-H819 HydrophobicContact CE2-CB 4.01Å; F810-H819 AromaticContact CE2-CD2 3.21Å; F810-H819 WeakPolarHBondContact CE2-CD2 3.31Å; F810-H819 AromaticContact CE2-CG 3.75Å; F810-H819 HydrophobicContact CZ-CB 3.64Å; F810-H819 AromaticContact CZ-CD2 3.3Å; F810-H819 WeakPolarHBondContact CZ-CD2 2.98Å; F810-H819 AromaticContact CZ-CG 3.4Å; F810-H819 VanDerWaalsContact CZ-CG 3.4Å; F810-H819 AromaticContact CZ-NE2 3.97Å
811	T	83.6	Confident	85.4	Confident	28 Å²	28	67.4 Å²	67.4	17%	0.172	39%	0.392	C	S	.	.	S	Bend	trans	-76	-14	176.2	53.7	0	0	0	0	113.6	R793 K799	R793-T811 HydrophobicContact CB-CG2 4.06Å; K799-T811 HydrophobicContact CG-CG2 4.18Å
812	T	84.2	Confident	85.2	Confident	22 Å²	22	67.3 Å²	67.3	14%	0.135	40%	0.397	C	S	.	.	S	Bend	trans	-141.3	146.4	179.5	79.9	0	0	0	0	113.2	I790 F801 F810 G814 N815 L816	I790-T812 HydrophobicContact CB-CG2 4.32Å; I790-T812 HydrophobicContact CD1-CG2 3.95Å; I790-T812 HydrophobicContact CG1-CG2 3.86Å; I790-T812 HydrophobicContact CG2-CG2 3.51Å; F801-T812 VanDerWaalsContact CD2-CA 3.47Å; F810-T812 VanDerWaalsContact C-N 3.31Å; F810-T812 PolarHBondContact O-N 2.76Å; T812-G814 PolarHBondContact O-N 3.48Å; T812-N815 PolarHBondContact O-N 3.25Å; T812-N815 WeakPolarHBondContact OG1-CB 3.29Å; T812-N815 PolarHBondContact OG1-N 3.24Å; T812-N815 VanDerWaalsContact OG1-N 3.08Å; T812-N815 PolarHBondContact OG1-ND2 3.09Å; T812-L816 PolarHBondContact O-N 2.81Å; T812-L816 VanDerWaalsContact O-N 3.12Å
813	K	86	Confident	84.6	Confident	156 Å²	156	67 Å²	67	68%	0.678	38%	0.383	S	S	*	.	H	α-helix	trans	-59.1	-33.6	173.4	-167.7	172.5	-177.5	173.8	0	112.7	F801 L816 K817	F801-K813 HydrophobicContact CD1-CB 3.86Å; F801-K813 HydrophobicContact CD1-CG 4.3Å; F801-K813 HydrophobicContact CE1-CB 3.73Å; F801-K813 HydrophobicContact CE1-CD 4.45Å; F801-K813 HydrophobicContact CE1-CG 4.27Å; F801-K813 HydrophobicContact CG-CB 4.36Å; F801-K813 HydrophobicContact CZ-CB 4.1Å; K813-L816 PolarHBondContact O-N 3.46Å; K813-K817 PolarHBondContact O-N 3.25Å
814	G	87.3	Confident	83.7	Confident	44 Å²	44	73.8 Å²	73.8	45%	0.454	42%	0.416	S	S	.	.	H	α-helix	trans	-65.5	-46.1	175.9	0	0	0	0	0	112.6	T812 L816 K817 V818	T812-G814 PolarHBondContact O-N 3.48Å; G814-L816 VanDerWaalsContact C-N 3.33Å; G814-L816 PolarHBondContact O-N 2.89Å; G814-K817 PolarHBondContact O-N 2.84Å; G814-K817 VanDerWaalsContact O-N 3.15Å; G814-V818 WeakPolarHBondContact O-CG2 3.34Å; G814-V818 PolarHBondContact O-N 3.31Å
815	N	85.5	Confident	82.4	Confident	83 Å²	83	76.1 Å²	76.1	44%	0.444	41%	0.41	S	S	.	.	H	α-helix	trans	-64	-38.8	176.8	-70.2	-17.5	0	0	0	111.6	F810 T812 H819	F810-N815 HydrophobicContact CB-CB 4.26Å; F810-N815 HydrophobicContact CD1-CB 3.92Å; F810-N815 HydrophobicContact CG-CB 4.37Å; T812-N815 PolarHBondContact O-N 3.25Å; T812-N815 WeakPolarHBondContact OG1-CB 3.29Å; T812-N815 PolarHBondContact OG1-N 3.24Å; T812-N815 VanDerWaalsContact OG1-N 3.08Å; T812-N815 PolarHBondContact OG1-ND2 3.09Å; N815-H819 WeakPolarHBondContact O-CB 3.34Å; N815-H819 PolarHBondContact O-N 3.42Å
816	L	89.3	Confident	81.5	Confident	29 Å²	29	76.7 Å²	76.7	15%	0.152	41%	0.414	C	S	.	.	H	α-helix	trans	-60.9	-46.3	170.7	176.1	61.2	0	0	0	111.7	F801 G802 C803 F810 T812 K813 G814 V818 H819 M820	F801-L816 HydrophobicContact CB-CB 4.03Å; F801-L816 HydrophobicContact CB-CD2 3.86Å; G802-L816 WeakPolarHBondContact O-CD2 3.34Å; C803-L816 HydrophobicContact CB-CD1 3.9Å; F810-L816 HydrophobicContact CB-CB 4.46Å; F810-L816 HydrophobicContact CD2-CB 4.27Å; F810-L816 HydrophobicContact CD2-CD1 4.07Å; F810-L816 HydrophobicContact CE2-CD1 4.36Å; T812-L816 PolarHBondContact O-N 2.81Å; T812-L816 VanDerWaalsContact O-N 3.12Å; K813-L816 PolarHBondContact O-N 3.46Å; G814-L816 VanDerWaalsContact C-N 3.33Å; G814-L816 PolarHBondContact O-N 2.89Å; L816-V818 PolarHBondContact O-N 3.11Å; L816-H819 CarbonylContact O-C 3.31Å; L816-H819 WeakPolarHBondContact O-CA 3.18Å; L816-H819 WeakPolarHBondContact O-CB 3.48Å; L816-H819 PolarHBondContact O-N 2.81Å; L816-H819 VanDerWaalsContact O-N 3.1Å; L816-M820 HydrophobicContact CD1-CE 3.89Å; L816-M820 HydrophobicContact CD1-CG 4.34Å; L816-M820 HydrophobicContact CG-CG 4.48Å; L816-M820 WeakPolarHBondContact O-CG 3.42Å; L816-M820 PolarHBondContact O-N 3.33Å
817	K	88.3	Confident	79.5	Confident	168 Å²	168	80.5 Å²	80.5	73%	0.73	43%	0.431	S	S	*	.	H	α-helix	trans	-61.7	-41.1	179.1	-171.7	174.6	-179.1	178.4	0	112.6	K813 G814 H819 M820 G821	K813-K817 PolarHBondContact O-N 3.25Å; G814-K817 PolarHBondContact O-N 2.84Å; G814-K817 VanDerWaalsContact O-N 3.15Å; K817-H819 VanDerWaalsContact C-N 3.32Å; K817-M820 PolarHBondContact O-N 3.06Å; K817-G821 PolarHBondContact O-N 3.22Å
818	V	87.1	Confident	77.3	Confident	110 Å²	110	80.8 Å²	80.8	67%	0.667	43%	0.427	S	S	*	.	H	α-helix	trans	-63.3	-40.4	173.2	174.5	0	0	0	0	110.9	G814 L816 G821 T822	G814-V818 WeakPolarHBondContact O-CG2 3.34Å; G814-V818 PolarHBondContact O-N 3.31Å; L816-V818 PolarHBondContact O-N 3.11Å; V818-G821 PolarHBondContact O-N 3.4Å; V818-T822 PolarHBondContact O-N 3.38Å
819	H	85.9	Confident	75.2	Confident	17 Å²	17	79.9 Å²	79.9	8%	0.079	44%	0.44	C	S	.	.	H	α-helix	trans	-68.5	-33.8	175.9	-179.6	48.8	0	0	0	113.6	C803 C806 F810 N815 L816 K817 G821 T822 H823	C803-H819 PolarHBondContact SG-NE2 3.1Å; C806-H819 PolarHBondContact SG-NE2 2.86Å; F810-H819 HydrophobicContact CE1-CB 4.19Å; F810-H819 HydrophobicContact CE2-CB 4.01Å; F810-H819 AromaticContact CE2-CD2 3.21Å; F810-H819 WeakPolarHBondContact CE2-CD2 3.31Å; F810-H819 AromaticContact CE2-CG 3.75Å; F810-H819 HydrophobicContact CZ-CB 3.64Å; F810-H819 AromaticContact CZ-CD2 3.3Å; F810-H819 WeakPolarHBondContact CZ-CD2 2.98Å; F810-H819 AromaticContact CZ-CG 3.4Å; F810-H819 VanDerWaalsContact CZ-CG 3.4Å; F810-H819 AromaticContact CZ-NE2 3.97Å; N815-H819 WeakPolarHBondContact O-CB 3.34Å; N815-H819 PolarHBondContact O-N 3.42Å; L816-H819 CarbonylContact O-C 3.31Å; L816-H819 WeakPolarHBondContact O-CA 3.18Å; L816-H819 WeakPolarHBondContact O-CB 3.48Å; L816-H819 PolarHBondContact O-N 2.81Å; L816-H819 VanDerWaalsContact O-N 3.1Å; K817-H819 VanDerWaalsContact C-N 3.32Å; H819-G821 VanDerWaalsContact C-N 3.27Å; H819-G821 PolarHBondContact O-N 2.82Å; H819-T822 PolarHBondContact ND1-OG1 3.12Å; H819-T822 WeakPolarHBondContact O-CA 3.5Å; H819-T822 WeakPolarHBondContact O-CB 3.27Å; H819-T822 PolarHBondContact O-N 3.46Å; H819-T822 PolarHBondContact O-OG1 3.39Å; H819-H823 AromaticContact CD2-NE2 3.05Å; H819-H823 PolarHBondContact CD2-NE2 3.5Å; H819-H823 AromaticContact CE1-CD2 3.75Å; H819-H823 AromaticContact CE1-NE2 2.53Å; H819-H823 PolarHBondContact CE1-NE2 3.34Å; H819-H823 AromaticContact CG-NE2 3.82Å; H819-H823 AromaticContact ND1-NE2 3.55Å; H819-H823 AromaticContact NE2-CD2 3.7Å; H819-H823 AromaticContact NE2-NE2 2.1Å; H819-H823 PolarHBondContact NE2-NE2 3.12Å; H819-H823 PolarHBondContact O-CD2 2.87Å; H819-H823 PolarHBondContact O-N 3.24Å
820	M	83.7	Confident	72.7	Confident	42 Å²	42	82 Å²	82	21%	0.207	46%	0.457	C	S	.	.	H	α-helix	trans	-57.9	-41.6	170	-70	-65.2	93.6	0	0	111.1	C803 I805 L816 K817 T822 H823 M824	C803-M820 HydrophobicContact CB-CE 3.98Å; C803-M820 WeakPolarHBondContact SG-CE 3.24Å; I805-M820 HydrophobicContact CD1-CE 4.26Å; I805-M820 HydrophobicContact CD1-SD 4.07Å; L816-M820 HydrophobicContact CD1-CE 3.89Å; L816-M820 HydrophobicContact CD1-CG 4.34Å; L816-M820 HydrophobicContact CG-CG 4.48Å; L816-M820 WeakPolarHBondContact O-CG 3.42Å; L816-M820 PolarHBondContact O-N 3.33Å; K817-M820 PolarHBondContact O-N 3.06Å; M820-T822 PolarHBondContact O-N 3.33Å; M820-H823 PolarHBondContact O-N 3.34Å; M820-M824 WeakPolarHBondContact O-CG 3.43Å; M820-M824 PolarHBondContact O-N 3.49Å
821	G	87.6	Confident	70.8	Confident	33 Å²	33	92.2 Å²	92.2	34%	0.34	50%	0.495	S	S	.	.	H	α-helix	trans	-56.1	-32.8	170.7	0	0	0	0	0	113.8	K817 V818 H819 H823 W825	K817-G821 PolarHBondContact O-N 3.22Å; V818-G821 PolarHBondContact O-N 3.4Å; H819-G821 VanDerWaalsContact C-N 3.27Å; H819-G821 PolarHBondContact O-N 2.82Å; G821-H823 VanDerWaalsContact C-N 3.34Å; G821-W825 WeakPolarHBondContact O-CB 3.32Å; G821-W825 PolarHBondContact O-N 3.06Å; G821-W825 VanDerWaalsContact O-N 3.09Å
822	T	80.4	Confident	68.7	Low	64 Å²	64	100.4 Å²	100.4	39%	0.393	52%	0.523	S	S	.	.	H	α-helix	trans	-75.3	-16.8	175	68	0	0	0	0	114.4	V818 H819 M820 N826	V818-T822 PolarHBondContact O-N 3.38Å; H819-T822 PolarHBondContact ND1-OG1 3.12Å; H819-T822 WeakPolarHBondContact O-CA 3.5Å; H819-T822 WeakPolarHBondContact O-CB 3.27Å; H819-T822 PolarHBondContact O-N 3.46Å; H819-T822 PolarHBondContact O-OG1 3.39Å; M820-T822 PolarHBondContact O-N 3.33Å; T822-N826 WeakPolarHBondContact O-CB 3.4Å; T822-N826 PolarHBondContact O-ND2 3.29Å
823	H	73.9	Confident	66.2	Low	38 Å²	38	103.2 Å²	103.2	18%	0.176	56%	0.556	C	S	.	*	H	α-helix	trans	-85.6	-46.1	167.9	-71.3	-70.5	0	0	0	111.1	C803 I805 C806 H819 M820 G821 W825 N826 N827	C803-H823 PolarHBondContact SG-NE2 2.94Å; I805-H823 HydrophobicContact CB-CB 4.49Å; I805-H823 HydrophobicContact CD1-CB 3.61Å; I805-H823 HydrophobicContact CG2-CB 4.18Å; I805-H823 WeakPolarHBondContact CG2-ND1 3.37Å; C806-H823 WeakPolarHBondContact CB-CE1 3.49Å; C806-H823 PolarHBondContact SG-CE1 3.15Å; C806-H823 PolarHBondContact SG-NE2 3.45Å; H819-H823 AromaticContact CD2-NE2 3.05Å; H819-H823 PolarHBondContact CD2-NE2 3.5Å; H819-H823 AromaticContact CE1-CD2 3.75Å; H819-H823 AromaticContact CE1-NE2 2.53Å; H819-H823 PolarHBondContact CE1-NE2 3.34Å; H819-H823 AromaticContact CG-NE2 3.82Å; H819-H823 AromaticContact ND1-NE2 3.55Å; H819-H823 AromaticContact NE2-CD2 3.7Å; H819-H823 AromaticContact NE2-NE2 2.1Å; H819-H823 PolarHBondContact NE2-NE2 3.12Å; H819-H823 PolarHBondContact O-CD2 2.87Å; H819-H823 PolarHBondContact O-N 3.24Å; M820-H823 PolarHBondContact O-N 3.34Å; G821-H823 VanDerWaalsContact C-N 3.34Å; H823-W825 PolarHBondContact O-N 3.18Å; H823-W825 VanDerWaalsContact O-N 3.08Å; H823-N826 CarbonylContact O-C 3.51Å; H823-N826 VanDerWaalsContact O-C 3.27Å; H823-N826 PolarHBondContact O-N 2.87Å; H823-N827 PolarHBondContact O-N 3.2Å; H823-N827 VanDerWaalsContact O-N 3.16Å; H823-N827 PolarHBondContact O-OD1 3.04Å
824	M	70.6	Confident	63.7	Low	146 Å²	146	107.1 Å²	107.1	72%	0.719	57%	0.567	S	S	*	*	H	α-helix	trans	-53	-33.3	175.3	-64.4	170.8	75.4	0	0	112.8	M820 N827	M820-M824 WeakPolarHBondContact O-CG 3.43Å; M820-M824 PolarHBondContact O-N 3.49Å; M824-N827 PolarHBondContact O-ND2 2.85Å
825	W	57.7	Low	61.2	Low	184 Å²	184	116.2 Å²	116.2	70%	0.697	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-19	176.3	-166.5	-92.4	0	0	0	114.8	G821 H823	G821-W825 WeakPolarHBondContact O-CB 3.32Å; G821-W825 PolarHBondContact O-N 3.06Å; G821-W825 VanDerWaalsContact O-N 3.09Å; H823-W825 PolarHBondContact O-N 3.18Å; H823-W825 VanDerWaalsContact O-N 3.08Å
826	N	58.8	Low	58.6	Low	108 Å²	108	120.3 Å²	120.3	58%	0.578	61%	0.608	S	S	*	*			trans	-119.9	44.5	-178.6	-60.8	-60.9	0	0	0	111.4	T822 H823 A828	T822-N826 WeakPolarHBondContact O-CB 3.4Å; T822-N826 PolarHBondContact O-ND2 3.29Å; H823-N826 CarbonylContact O-C 3.51Å; H823-N826 VanDerWaalsContact O-C 3.27Å; H823-N826 PolarHBondContact O-N 2.87Å; N826-A828 PolarHBondContact O-N 3.43Å
827	N	41.9	Very low	55.8	Low	131 Å²	131	124.3 Å²	124.3	70%	0.701	64%	0.639	S	S	*	*			trans	-71.8	59.7	175.2	-85.9	-36.3	0	0	0	112.6	H823 M824	H823-N827 PolarHBondContact O-N 3.2Å; H823-N827 VanDerWaalsContact O-N 3.16Å; H823-N827 PolarHBondContact O-OD1 3.04Å; M824-N827 PolarHBondContact O-ND2 2.85Å
828	A	35.7	Very low	53.3	Low	72 Å²	72	122.5 Å²	122.5	60%	0.595	64%	0.642	S	S	*	*	S	Bend	trans	-107.9	131.7	151.8	0	0	0	0	0	106.7	N826 A830	N826-A828 PolarHBondContact O-N 3.43Å; A828-A830 PolarHBondContact O-N 2.94Å
829	P	40.1	Very low	50.9	Low	127 Å²	127	125.1 Å²	125.1	83%	0.825	65%	0.647	S	S	*	*			trans	-65.9	95.4	-174.8	25.8	-34.1	0	0	0	110.6	R831	P829-R831 VanDerWaalsContact C-N 3.31Å; P829-R831 PolarHBondContact O-N 3.22Å
830	A	34.1	Very low	48.2	Very low	87 Å²	87	129.2 Å²	129.2	72%	0.719	67%	0.669	S	S	*	*			trans	-75.1	79.1	-171.6	0	0	0	0	0	111.7	A828 R832	A828-A830 PolarHBondContact O-N 2.94Å; A830-R832 PolarHBondContact O-N 3.25Å
831	R	46.3	Very low	46.1	Very low	247 Å²	247	133.2 Å²	133.2	93%	0.932	70%	0.698	S	S	*	*			trans	-56	83.5	163.3	-75.2	-78.1	-136.9	-105.7	1.1	110	P829	P829-R831 VanDerWaalsContact C-N 3.31Å; P829-R831 PolarHBondContact O-N 3.22Å
832	R	37.7	Very low	43.6	Very low	200 Å²	200	139.8 Å²	139.8	76%	0.755	72%	0.722	S	S	*	*			trans	-132.9	77.2	165	-71.7	-170	-170.2	-87.4	-6.2	108.3	A830 R834	A830-R832 PolarHBondContact O-N 3.25Å; R832-R834 PolarHBondContact O-N 3.38Å
833	G	33.4	Very low	41.6	Very low	82 Å²	82	140 Å²	140	85%	0.845	73%	0.731	S	S	*	*			trans	-59.3	138.5	171.4	0	0	0	0	0	110.9
834	R	32.6	Very low	39.9	Very low	238 Å²	238	145.8 Å²	145.8	90%	0.898	76%	0.762	S	S	*	*			trans	-106.9	137.3	139.8	-173.7	177	-66.9	-168.5	-1.1	105.4	R832 L836	R832-R834 PolarHBondContact O-N 3.38Å; R834-L836 PolarHBondContact O-N 3.19Å
835	R	34.1	Very low	38.2	Very low	235 Å²	235	146.3 Å²	146.3	89%	0.887	77%	0.767	S	S	*	*			trans	-58.9	132	-176.6	-61.1	-173.9	-177.3	-81.1	4	109.9
836	L	31.3	Very low	36.9	Very low	169 Å²	169	141.2 Å²	141.2	89%	0.885	77%	0.771	S	S	*	*			trans	-66.9	132.9	143.9	-69.6	170.6	0	0	0	106	R834	R834-L836 PolarHBondContact O-N 3.19Å
837	S	31.8	Very low	36	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	78%	0.776	S	S	*	*			trans	-103.6	92.2	171.5	-161.7	0	0	0	0	107
838	V	34.4	Very low	35.4	Very low	130 Å²	130	141 Å²	141	79%	0.788	79%	0.786	S	S	*	*			trans	-130	134.5	157.7	177.6	0	0	0	0	104.7
839	E	36.8	Very low	36	Very low	165 Å²	165	142.4 Å²	142.4	77%	0.771	80%	0.797	S	S	*	*			trans	-70.3	146.5	-174.5	-150.7	64.8	-167	0	0	111
840	N	29.7	Very low	36.3	Very low	102 Å²	102	144.3 Å²	144.3	55%	0.545	80%	0.8	S	S	.	*			trans	32.9	95.9	159.1	-170.2	14.8	0	0	0	119.7	M842 A843	N840-M842 WeakPolarHBondContact OD1-CA 3.44Å; N840-M842 PolarHBondContact OD1-N 3.32Å; N840-A843 VanDerWaalsContact ND2-CB 3.31Å; N840-A843 WeakPolarHBondContact ND2-CB 3.36Å; N840-A843 PolarHBondContact OD1-N 3.32Å
841	P	40	Very low	36.7	Very low	126 Å²	126	147.4 Å²	147.4	82%	0.818	80%	0.797	S	S	*	*	S	Bend	trans	-99.1	30.4	164.7	40.3	-35	0	0	0	112.8
842	M	34.2	Very low	36	Very low	171 Å²	171	145 Å²	145	84%	0.842	79%	0.794	S	S	*	*	S	Bend	trans	-142.8	38.9	-172.8	-163.1	135.4	-76.1	0	0	113	N840	N840-M842 WeakPolarHBondContact OD1-CA 3.44Å; N840-M842 PolarHBondContact OD1-N 3.32Å
843	A	38.7	Very low	35.9	Very low	70 Å²	70	139.5 Å²	139.5	58%	0.579	79%	0.786	S	S	*	*	S	Bend	trans	-148.3	60.5	169.1	0	0	0	0	0	111.6	N840	N840-A843 VanDerWaalsContact ND2-CB 3.31Å; N840-A843 WeakPolarHBondContact ND2-CB 3.36Å; N840-A843 PolarHBondContact OD1-N 3.32Å
844	L	37.2	Very low	36.4	Very low	159 Å²	159	140.9 Å²	140.9	83%	0.832	77%	0.77	S	S	*	*	S	Bend	trans	-174.4	136.8	158.5	-105.3	164.1	0	0	0	108.5
845	L	36.1	Very low	36.6	Very low	156 Å²	156	138.2 Å²	138.2	82%	0.817	77%	0.77	S	S	*	*			trans	60.7	118.7	178.2	-46.6	-179.7	0	0	0	115.5
846	G	30.8	Very low	36.8	Very low	77 Å²	77	135.5 Å²	135.5	79%	0.794	77%	0.765	S	S	*	*			cis	75.3	81.9	-0.5	0	0	0	0	0	113.2
847	G	38.5	Very low	37.3	Very low	66 Å²	66	134.4 Å²	134.4	68%	0.68	76%	0.755	S	S	*	*	S	Bend	trans	112.6	140.8	175.9	0	0	0	0	0	114.7
848	D	30.9	Very low	37.6	Very low	168 Å²	168	138.1 Å²	138.1	90%	0.898	76%	0.757	S	S	*	*			trans	48.7	107.2	153.9	-56.5	-14	0	0	0	120.8
849	A	47.2	Very low	37.5	Very low	102 Å²	102	139 Å²	139	84%	0.843	76%	0.758	S	S	*	*			trans	-100.2	92.3	176	0	0	0	0	0	112.5
850	L	47.5	Very low	37.6	Very low	168 Å²	168	137.9 Å²	137.9	88%	0.88	76%	0.756	S	S	*	*			trans	-136.7	155.2	168.9	-75.7	179.2	0	0	0	113.3
851	K	41.9	Very low	38	Very low	151 Å²	151	136.4 Å²	136.4	66%	0.657	76%	0.758	S	S	*	*			trans	56.4	66.7	170.7	-70.4	-171	166.3	-160.3	0	118.2	S853 E854	K851-S853 VanDerWaalsContact C-N 3.28Å; K851-E854 WeakPolarHBondContact CD-OE2 3.38Å; K851-E854 WeakPolarHBondContact CE-OE2 3.49Å; K851-E854 IonicContact NZ-OE1 2.7Å; K851-E854 IonicContact NZ-OE2 3.79Å; K851-E854 PolarHBondContact NZ-OE2 3.34Å
852	F	32	Very low	37.9	Very low	198 Å²	198	134.5 Å²	134.5	87%	0.868	75%	0.753	S	S	*	*	S	Bend	trans	-82.3	-2.8	155.8	-158.3	-98.2	0	0	0	113.3
853	S	34.3	Very low	38.4	Very low	83 Å²	83	137.6 Å²	137.6	58%	0.58	76%	0.755	S	S	*	*	S	Bend	trans	-85.7	-24.8	-167.4	43.4	0	0	0	0	115.7	K851	K851-S853 VanDerWaalsContact C-N 3.28Å
854	E	43.8	Very low	38.2	Very low	111 Å²	111	138 Å²	138	52%	0.519	76%	0.759	S	S	.	*	S	Bend	trans	-84.7	-28.6	-159.5	-150.2	157.4	141.3	0	0	114.3	K851 F856 Q857	K851-E854 WeakPolarHBondContact CD-OE2 3.38Å; K851-E854 WeakPolarHBondContact CE-OE2 3.49Å; K851-E854 IonicContact NZ-OE1 2.7Å; K851-E854 IonicContact NZ-OE2 3.79Å; K851-E854 PolarHBondContact NZ-OE2 3.34Å; E854-F856 VanDerWaalsContact C-N 3.35Å; E854-F856 PolarHBondContact O-N 3.09Å; E854-Q857 PolarHBondContact O-N 3.19Å
855	M	36.9	Very low	38.1	Very low	182 Å²	182	138 Å²	138	90%	0.897	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-23.1	-178.3	-70.9	-170.8	177.8	0	0	114.2	Q857	M855-Q857 VanDerWaalsContact C-N 3.25Å; M855-Q857 PolarHBondContact O-N 3.11Å
856	F	38.4	Very low	38.6	Very low	178 Å²	178	138 Å²	138	78%	0.781	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-9.5	178.8	-104.5	-80.7	0	0	0	113.9	E854	E854-F856 VanDerWaalsContact C-N 3.35Å; E854-F856 PolarHBondContact O-N 3.09Å
857	Q	41.4	Very low	39.2	Very low	146 Å²	146	139.8 Å²	139.8	68%	0.682	75%	0.752	S	S	*	*	S	Bend	trans	-93.4	-22	-168.3	-155	163.5	-1.5	0	0	113.8	E854 M855	E854-Q857 PolarHBondContact O-N 3.19Å; M855-Q857 VanDerWaalsContact C-N 3.25Å; M855-Q857 PolarHBondContact O-N 3.11Å
858	K	38.9	Very low	39.5	Very low	191 Å²	191	141.3 Å²	141.3	83%	0.83	75%	0.745	S	S	*	*	H	α-helix	trans	-85.8	-30.7	-168.9	-155	163	-173.7	171.1	0	115.2
859	D	33.4	Very low	40.3	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	73%	0.731	S	S	*	*	H	α-helix	trans	-91	-16.8	-177.7	-160.1	50.6	0	0	0	113.8
860	L	38.7	Very low	40.4	Very low	141 Å²	141	136.3 Å²	136.3	74%	0.738	72%	0.715	S	S	*	*	H	α-helix	trans	-81.1	-28.5	175.5	-162.7	67.5	0	0	0	112.5	A862	L860-A862 PolarHBondContact O-N 2.99Å
861	A	38.2	Very low	40.2	Very low	70 Å²	70	134 Å²	134	58%	0.579	70%	0.698	S	S	*	*	H	α-helix	trans	-65.7	-34.7	-178.4	0	0	0	0	0	113.1	R863 A864	A861-R863 PolarHBondContact O-N 3.33Å; A861-A864 PolarHBondContact O-N 3.18Å
862	A	38	Very low	40.4	Very low	87 Å²	87	134.4 Å²	134.4	72%	0.719	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	5	-174.6	0	0	0	0	0	115.2	L860	L860-A862 PolarHBondContact O-N 2.99Å
863	R	44	Very low	41.4	Very low	236 Å²	236	130.5 Å²	130.5	89%	0.891	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143	14.7	-178	-142.2	175.1	-176	164.7	4.4	115.8	A861	A861-R863 PolarHBondContact O-N 3.33Å
864	A	34.8	Very low	42.2	Very low	78 Å²	78	133.7 Å²	133.7	65%	0.645	69%	0.689	S	S	*	*			trans	-141.6	67.1	-175.7	0	0	0	0	0	112.8	A861	A861-A864 PolarHBondContact O-N 3.18Å
865	M	33.5	Very low	42	Very low	158 Å²	158	135 Å²	135	78%	0.778	69%	0.69	S	S	*	*			trans	-87.4	135.8	161.3	52.3	-85.4	-140.4	0	0	111.4
866	N	46.9	Very low	42.3	Very low	156 Å²	156	128.7 Å²	128.7	83%	0.834	67%	0.667	S	S	*	*	S	Bend	trans	70.9	65.8	173.3	-57.1	-56	0	0	0	118.5
867	V	43.4	Very low	42.8	Very low	115 Å²	115	122.5 Å²	122.5	70%	0.697	65%	0.649	S	S	*	*			trans	-137.6	139	144.7	-176.8	0	0	0	0	108.5
868	D	44.8	Very low	43	Very low	98 Å²	98	118.7 Å²	118.7	52%	0.524	64%	0.642	S	S	.	*			trans	-74.9	139.1	-171.7	-168.5	-78.7	0	0	0	113.9	S870 F871	D868-S870 PolarHBondContact O-N 2.87Å; D868-S870 VanDerWaalsContact O-N 3.17Å; D868-S870 WeakPolarHBondContact OD1-CB 3.35Å; D868-S870 PolarHBondContact OD1-N 2.84Å; D868-S870 PolarHBondContact OD1-OG 3.11Å; D868-F871 PolarHBondContact O-N 3.2Å
869	P	47.7	Very low	43.5	Very low	95 Å²	95	113.9 Å²	113.9	62%	0.617	63%	0.625	S	S	*	*	H	α-helix	trans	-59.9	-21.1	178.6	-25.5	35.5	0	0	0	116.1	F871 N873	P869-F871 VanDerWaalsContact C-N 3.31Å; P869-F871 PolarHBondContact O-N 2.99Å; P869-N873 PolarHBondContact O-ND2 3.11Å
870	S	49.3	Very low	44.2	Very low	70 Å²	70	111.4 Å²	111.4	49%	0.49	62%	0.615	S	S	.	*	H	α-helix	trans	-65.6	-31.9	178.4	59.6	0	0	0	0	113.2	D868 W872 N873 Q874	D868-S870 PolarHBondContact O-N 2.87Å; D868-S870 VanDerWaalsContact O-N 3.17Å; D868-S870 WeakPolarHBondContact OD1-CB 3.35Å; D868-S870 PolarHBondContact OD1-N 2.84Å; D868-S870 PolarHBondContact OD1-OG 3.11Å; S870-W872 PolarHBondContact O-N 3.41Å; S870-N873 PolarHBondContact O-N 3.39Å; S870-Q874 PolarHBondContact O-N 2.84Å
871	F	43.9	Very low	44.6	Very low	120 Å²	120	109.9 Å²	109.9	53%	0.526	61%	0.608	S	S	.	*	H	α-helix	trans	-61.8	-45.3	-177.8	-178.1	-101.8	0	0	0	112.5	D868 P869 N873 Q874 Y875	D868-F871 PolarHBondContact O-N 3.2Å; P869-F871 VanDerWaalsContact C-N 3.31Å; P869-F871 PolarHBondContact O-N 2.99Å; F871-N873 VanDerWaalsContact C-N 3.35Å; F871-N873 PolarHBondContact O-N 3.41Å; F871-Q874 PolarHBondContact O-N 3.35Å; F871-Y875 PolarHBondContact O-N 2.91Å; F871-Y875 VanDerWaalsContact O-N 3.17Å
872	W	46	Very low	45	Very low	160 Å²	160	109.2 Å²	109.2	61%	0.606	61%	0.608	S	S	*	*	H	α-helix	trans	-70.5	-29.8	-178.5	-74.5	105.1	0	0	0	113.4	S870 Y875 A876	S870-W872 PolarHBondContact O-N 3.41Å; W872-Y875 HydrophobicContact CE3-CD1 4.43Å; W872-Y875 HydrophobicContact CZ3-CD1 4.22Å; W872-Y875 PolarHBondContact O-N 3.37Å; W872-A876 WeakPolarHBondContact O-CB 3.36Å; W872-A876 PolarHBondContact O-N 3.17Å
873	N	53.3	Low	45.3	Very low	115 Å²	115	111.5 Å²	111.5	62%	0.615	61%	0.607	S	S	*	*	H	α-helix	trans	-69.9	-39.3	177.2	-78.3	-75.6	0	0	0	112.1	P869 S870 F871 A877	P869-N873 PolarHBondContact O-ND2 3.11Å; S870-N873 PolarHBondContact O-N 3.39Å; F871-N873 VanDerWaalsContact C-N 3.35Å; F871-N873 PolarHBondContact O-N 3.41Å; N873-A877 WeakPolarHBondContact O-CB 3.19Å; N873-A877 PolarHBondContact O-N 3.42Å
874	Q	50.8	Low	45.3	Very low	151 Å²	151	103.5 Å²	103.5	71%	0.706	59%	0.592	S	S	*	*	H	α-helix	trans	-65.1	-40.5	171.2	-69.3	-172.7	-3.8	0	0	111.9	S870 F871 A877 A878	S870-Q874 PolarHBondContact O-N 2.84Å; F871-Q874 PolarHBondContact O-N 3.35Å; Q874-A877 PolarHBondContact O-N 3.46Å; Q874-A878 WeakPolarHBondContact O-CB 3.32Å; Q874-A878 PolarHBondContact O-N 3.34Å
875	Y	40.7	Very low	45.8	Very low	137 Å²	137	108 Å²	108	54%	0.537	60%	0.601	S	S	.	*	H	α-helix	trans	-65.7	-39.7	178.1	-157.1	-101.5	0	0	0	112.4	F871 W872 I879	F871-Y875 PolarHBondContact O-N 2.91Å; F871-Y875 VanDerWaalsContact O-N 3.17Å; W872-Y875 HydrophobicContact CE3-CD1 4.43Å; W872-Y875 HydrophobicContact CZ3-CD1 4.22Å; W872-Y875 PolarHBondContact O-N 3.37Å; Y875-I879 HydrophobicContact CD1-CD1 3.78Å; Y875-I879 HydrophobicContact CE1-CD1 3.76Å; Y875-I879 WeakPolarHBondContact O-CG1 3.21Å; Y875-I879 PolarHBondContact O-N 3.47Å
876	A	42.5	Very low	46.4	Very low	50 Å²	50	109.4 Å²	109.4	41%	0.413	60%	0.603	S	S	.	*	H	α-helix	trans	-65.7	-46.5	173.7	0	0	0	0	0	112.1	W872 A878 I879 T880	W872-A876 WeakPolarHBondContact O-CB 3.36Å; W872-A876 PolarHBondContact O-N 3.17Å; A876-A878 VanDerWaalsContact C-N 3.28Å; A876-A878 PolarHBondContact O-N 3.47Å; A876-I879 PolarHBondContact O-N 3.36Å; A876-I879 VanDerWaalsContact O-N 3.11Å; A876-T880 PolarHBondContact O-N 3.47Å; A876-T880 PolarHBondContact O-OG1 3.46Å
877	A	47.7	Very low	46.1	Very low	49 Å²	49	109.1 Å²	109.1	41%	0.405	60%	0.602	S	S	.	*	H	α-helix	trans	-60.3	-36.7	177.3	0	0	0	0	0	112.5	N873 Q874 N881	N873-A877 WeakPolarHBondContact O-CB 3.19Å; N873-A877 PolarHBondContact O-N 3.42Å; Q874-A877 PolarHBondContact O-N 3.46Å; A877-N881 WeakPolarHBondContact O-CB 3.49Å; A877-N881 PolarHBondContact O-N 2.97Å; A877-N881 VanDerWaalsContact O-N 3.11Å; A877-N881 PolarHBondContact O-ND2 3.29Å
878	A	47.2	Very low	46.1	Very low	65 Å²	65	111 Å²	111	54%	0.537	61%	0.608	S	S	.	*	H	α-helix	trans	-66.4	-38.3	174.4	0	0	0	0	0	112.8	Q874 A876 G882	Q874-A878 WeakPolarHBondContact O-CB 3.32Å; Q874-A878 PolarHBondContact O-N 3.34Å; A876-A878 VanDerWaalsContact C-N 3.28Å; A876-A878 PolarHBondContact O-N 3.47Å; A878-G882 PolarHBondContact O-N 2.84Å
879	I	48.7	Very low	46	Very low	91 Å²	91	114.8 Å²	114.8	47%	0.467	62%	0.622	S	S	.	*	H	α-helix	trans	-68.5	-44.9	177	-70	166.7	0	0	0	111.1	Y875 A876 G882 L883	Y875-I879 HydrophobicContact CD1-CD1 3.78Å; Y875-I879 HydrophobicContact CE1-CD1 3.76Å; Y875-I879 WeakPolarHBondContact O-CG1 3.21Å; Y875-I879 PolarHBondContact O-N 3.47Å; A876-I879 PolarHBondContact O-N 3.36Å; A876-I879 VanDerWaalsContact O-N 3.11Å; I879-G882 PolarHBondContact O-N 3.17Å; I879-L883 HydrophobicContact CG2-CD1 4.28Å; I879-L883 PolarHBondContact O-N 2.95Å; I879-L883 VanDerWaalsContact O-N 3.09Å
880	T	47.8	Very low	45.3	Very low	98 Å²	98	118.3 Å²	118.3	60%	0.601	63%	0.634	S	S	*	*	H	α-helix	trans	-65.2	-43.2	-179.7	-53.2	0	0	0	0	111.9	A876 L883 A884	A876-T880 PolarHBondContact O-N 3.47Å; A876-T880 PolarHBondContact O-OG1 3.46Å; T880-L883 PolarHBondContact O-N 3.41Å; T880-A884 PolarHBondContact O-N 2.59Å
881	N	48.2	Very low	44.7	Very low	108 Å²	108	120.7 Å²	120.7	58%	0.578	65%	0.651	S	S	*	*	H	α-helix	trans	-67.8	-34.8	173.7	-76.7	-78.2	0	0	0	112.5	A877 L883 A884 M885	A877-N881 WeakPolarHBondContact O-CB 3.49Å; A877-N881 PolarHBondContact O-N 2.97Å; A877-N881 VanDerWaalsContact O-N 3.11Å; A877-N881 PolarHBondContact O-ND2 3.29Å; N881-L883 PolarHBondContact O-N 2.67Å; N881-A884 PolarHBondContact O-N 3.45Å; N881-M885 PolarHBondContact O-N 3.48Å
882	G	46	Very low	44.1	Very low	57 Å²	57	121.4 Å²	121.4	59%	0.588	67%	0.665	S	S	*	*	H	α-helix	trans	-65.6	-21.6	175.5	0	0	0	0	0	114.6	A878 I879	A878-G882 PolarHBondContact O-N 2.84Å; I879-G882 PolarHBondContact O-N 3.17Å
883	L	44.4	Very low	43.5	Very low	134 Å²	134	121.2 Å²	121.2	70%	0.702	67%	0.674	S	S	*	*	H	α-helix	trans	-87.3	-25.8	172.6	-83.1	160.6	0	0	0	113.3	I879 T880 N881	I879-L883 HydrophobicContact CG2-CD1 4.28Å; I879-L883 PolarHBondContact O-N 2.95Å; I879-L883 VanDerWaalsContact O-N 3.09Å; T880-L883 PolarHBondContact O-N 3.41Å; N881-L883 PolarHBondContact O-N 2.67Å
884	A	44.1	Very low	42.4	Very low	68 Å²	68	123.8 Å²	123.8	56%	0.562	68%	0.683	S	S	*	*	H	α-helix	trans	-74.1	-40.1	179.8	0	0	0	0	0	113	T880 N881 K886	T880-A884 PolarHBondContact O-N 2.59Å; N881-A884 PolarHBondContact O-N 3.45Å; A884-K886 PolarHBondContact O-N 3.47Å
885	M	45.8	Very low	41.3	Very low	172 Å²	172	124.8 Å²	124.8	85%	0.847	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	35.5	-176.2	-61.4	-151	-60.1	0	0	114.6	N881	N881-M885 PolarHBondContact O-N 3.48Å
886	K	45.6	Very low	40.9	Very low	188 Å²	188	122.2 Å²	122.2	82%	0.817	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147	31.1	171.5	-142.5	170.6	-172.6	173	0	115.6	A884	A884-K886 PolarHBondContact O-N 3.47Å
887	N	39.3	Very low	40.1	Very low	151 Å²	151	123.4 Å²	123.4	81%	0.807	73%	0.725	S	S	*	*	S	Bend	trans	-139	36.4	175.2	-160.3	29.6	0	0	0	112.3
888	N	44.6	Very low	39.4	Very low	155 Å²	155	128.8 Å²	128.8	83%	0.829	75%	0.745	S	S	*	*			trans	-152.1	54.6	177.8	-156.2	2.7	0	0	0	113.1
889	E	42.1	Very low	39	Very low	176 Å²	176	130.7 Å²	130.7	82%	0.822	75%	0.752	S	S	*	*			trans	-131.3	148.9	163	-70.6	-179.7	-129.5	0	0	107.6
890	I	33.5	Very low	37.9	Very low	169 Å²	169	134.7 Å²	134.7	87%	0.867	77%	0.769	S	S	*	*			trans	73.4	83.5	-171.9	-44.2	167.3	0	0	0	114.3
891	S	35.6	Very low	37	Very low	120 Å²	120	137 Å²	137	84%	0.839	78%	0.777	S	S	*	*			trans	-164.1	49.8	155.1	-82.5	0	0	0	0	112.9
892	V	33	Very low	36.8	Very low	135 Å²	135	137.5 Å²	137.5	82%	0.818	79%	0.786	S	S	*	*			trans	-142.8	145.9	165.8	-172.3	0	0	0	0	107.9
893	I	31.6	Very low	35.9	Very low	156 Å²	156	141.7 Å²	141.7	80%	0.8	80%	0.8	S	S	*	*	S	Bend	trans	69	115.6	-169.2	-44.4	173.1	0	0	0	110.4
894	Q	30.6	Very low	35.2	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.794	80%	0.8	S	S	*	*			cis	-149.2	141.3	11.1	-147.7	168.6	3.4	0	0	110.2
895	N	28.5	Very low	34.5	Very low	172 Å²	172	145.3 Å²	145.3	92%	0.92	82%	0.817	S	S	*	*			trans	-177.9	90.5	147	-97.3	-25.5	0	0	0	109.8
896	G	31.4	Very low	33.6	Very low	82 Å²	82	140.8 Å²	140.8	85%	0.845	82%	0.815	S	S	*	*			trans	-95.1	115.6	167	0	0	0	0	0	109.5
897	G	26.6	Very low	32.8	Very low	75 Å²	75	135.3 Å²	135.3	77%	0.773	81%	0.812	S	S	*	*			trans	-146	130.2	176.4	0	0	0	0	0	109.9
898	I	32.4	Very low	32.4	Very low	162 Å²	162	134.2 Å²	134.2	83%	0.831	82%	0.816	S	S	*	*			trans	-141.6	149.2	-163.4	-51.9	169.2	0	0	0	107.6
899	P	38.6	Very low	31.7	Very low	105 Å²	105	131.7 Å²	131.7	68%	0.682	82%	0.816	S	S	*	*			cis	-119.2	-169	-22.7	36.4	-20.6	0	0	0	111.9
900	Q	25.8	Very low	31.3	Very low	175 Å²	175	131.4 Å²	131.4	82%	0.818	82%	0.819	S	S	*	*			trans	-136.4	139.4	157.7	-89.3	-69.5	3.7	0	0	110.8
901	L	29.3	Very low	32.4	Very low	147 Å²	147	128.8 Å²	128.8	77%	0.77	81%	0.814	S	S	*	*			trans	-151.6	164.8	176.6	-67.9	179.2	0	0	0	107.8
902	P	44.1	Very low	33.2	Very low	119 Å²	119	128.5 Å²	128.5	77%	0.773	81%	0.809	S	S	*	*				-129.2	146	-83.7	31.3	-11.6	0	0	0	113.5
903	V	27.8	Very low	33.1	Very low	145 Å²	145	130.2 Å²	130.2	88%	0.879	81%	0.812	S	S	*	*			trans	-136.7	137.4	174	-178.7	0	0	0	0	111.7
904	S	28.9	Very low	32.9	Very low	100 Å²	100	126 Å²	126	70%	0.699	81%	0.807	S	S	*	*			trans	-121.7	176.9	172.7	-68	0	0	0	0	110.1
905	L	30	Very low	33	Very low	178 Å²	178	122.6 Å²	122.6	93%	0.932	80%	0.803	S	S	*	*			trans	85.6	138.4	-177	-70	60.9	0	0	0	114.8
906	G	26.8	Very low	33.4	Very low	77 Å²	77	123 Å²	123	79%	0.794	80%	0.801	S	S	*	*			cis	166.5	136	-13.4	0	0	0	0	0	116.9
907	G	28.1	Very low	33.4	Very low	73 Å²	73	123.2 Å²	123.2	75%	0.753	80%	0.795	S	S	*	*			trans	82.2	163.1	158.7	0	0	0	0	0	118.5
908	S	32.1	Very low	33.7	Very low	128 Å²	128	125.4 Å²	125.4	90%	0.895	80%	0.799	S	S	*	*			cis	-170.4	128.8	-15.3	-88.8	0	0	0	0	111.9
909	A	28.1	Very low	33.6	Very low	102 Å²	102	120.8 Å²	120.8	84%	0.843	79%	0.791	S	S	*	*			trans	-171	163	158.9	0	0	0	0	0	111.5
910	L	34.4	Very low	33.5	Very low	169 Å²	169	124 Å²	124	89%	0.885	80%	0.799	S	S	*	*			trans	-151.6	173.2	-167.1	-71.5	176.3	0	0	0	113.4
911	P	57.2	Low	33.7	Very low	115 Å²	115	121 Å²	121	75%	0.747	79%	0.788	S	S	*	*			cis	-113.1	-95	-13.8	19.7	4.8	0	0	0	113.2
912	P	51.3	Low	33.9	Very low	113 Å²	113	122 Å²	122	73%	0.734	79%	0.786	S	S	*	*			cis	-112.8	-100.7	-3.5	37.4	-19.5	0	0	0	115.2
913	L	31.9	Very low	33.3	Very low	171 Å²	171	120.8 Å²	120.8	90%	0.895	79%	0.787	S	S	*	*			trans	-135.3	153.4	-169.2	-99.4	66.8	0	0	0	111.2
914	G	27.7	Very low	33.5	Very low	67 Å²	67	125 Å²	125	69%	0.691	79%	0.787	S	S	*	*			cis	172.3	175.4	-5.3	0	0	0	0	0	114.8
915	S	32	Very low	33.4	Very low	100 Å²	100	126.7 Å²	126.7	70%	0.699	79%	0.793	S	S	*	*			trans	64.9	103	164.2	-64.2	0	0	0	0	119.3
916	M	37.4	Very low	33.3	Very low	179 Å²	179	121.8 Å²	121.8	88%	0.882	79%	0.785	S	S	*	*				90.2	147.3	75.9	84.5	-161	171.8	0	0	114
917	A	31.7	Very low	33.5	Very low	88 Å²	88	124 Å²	124	73%	0.727	79%	0.789	S	S	*	*			cis	-153.9	169.7	10.1	0	0	0	0	0	114
918	S	31.5	Very low	33.7	Very low	121 Å²	121	125.7 Å²	125.7	85%	0.846	79%	0.789	S	S	*	*			trans	29.5	145.6	157.2	-64.8	0	0	0	0	123.9
919	G	30.6	Very low	34.9	Very low	64 Å²	64	125.4 Å²	125.4	66%	0.66	78%	0.784	S	S	*	*			cis	152	173.1	-6.1	0	0	0	0	0	114.7
920	M	37.2	Very low	36	Very low	174 Å²	174	124.9 Å²	124.9	86%	0.857	77%	0.772	S	S	*	*			trans	71.6	142.2	158.8	-59.4	168.4	73.6	0	0	117.6
921	D	30.7	Very low	36	Very low	110 Å²	110	124.6 Å²	124.6	59%	0.588	77%	0.769	S	S	*	*			cis	-161.3	-177.7	-14.4	-135	-51.1	0	0	0	113.2
922	K	33	Very low	34.6	Very low	169 Å²	169	125.1 Å²	125.1	74%	0.735	77%	0.77	S	S	*	*			trans	-19.2	143.2	171.4	-63.8	148.5	-166	86.7	0	118.1
923	A	30.2	Very low	33.5	Very low	94 Å²	94	124.5 Å²	124.5	78%	0.777	77%	0.769	S	S	*	*			cis	98.3	141.9	31.2	0	0	0	0	0	116.9
924	R	32.2	Very low	33.5	Very low	233 Å²	233	123.5 Å²	123.5	88%	0.879	76%	0.764	S	S	*	*			trans	85.8	117.8	158.8	-91.1	-166.9	170.7	173.5	-2.7	123.8
925	T	28.3	Very low	33.5	Very low	136 Å²	136	127.2 Å²	127.2	83%	0.834	77%	0.768	S	S	*	*			trans	64.1	138.9	130.9	55.1	0	0	0	0	124.5
926	G	27.8	Very low	33.6	Very low	74 Å²	74	131.1 Å²	131.1	76%	0.763	77%	0.772	S	S	*	*			trans	138.7	99.7	164.3	0	0	0	0	0	111.2
927	S	29.8	Very low	33.2	Very low	125 Å²	125	126.8 Å²	126.8	87%	0.874	76%	0.764	S	S	*	*				89.4	122	67.7	-167.7	0	0	0	0	113.9
928	S	32.2	Very low	33	Very low	107 Å²	107	127.8 Å²	127.8	75%	0.748	77%	0.766	S	S	*	*			trans	-88.4	-167.8	-173.2	-29.1	0	0	0	0	113.2
929	P	57.8	Low	32.8	Very low	122 Å²	122	126.1 Å²	126.1	79%	0.792	76%	0.755	S	S	*	*			cis	-111.8	-87.4	-19.8	27.4	-6.9	0	0	0	112.5
930	P	51.1	Low	32.6	Very low	92 Å²	92	131 Å²	131	60%	0.597	76%	0.76	S	S	*	*			cis	-127.8	157	-32.6	38.4	-21.7	0	0	0	116.5
931	I	33.5	Very low	32.2	Very low	162 Å²	162	128.7 Å²	128.7	83%	0.831	76%	0.756	S	S	*	*			trans	56	169.1	147.6	67.4	172.7	0	0	0	122.1
932	V	29.6	Very low	32	Very low	127 Å²	127	128 Å²	128	77%	0.77	77%	0.766	S	S	*	*				-160.1	173.4	-54.6	117.9	0	0	0	0	108.8
933	S	27.4	Very low	31.9	Very low	100 Å²	100	125.1 Å²	125.1	70%	0.699	77%	0.773	S	S	*	*			trans	79.8	137.4	174.8	-63.3	0	0	0	0	116.4
934	L	32.4	Very low	31.9	Very low	150 Å²	150	126.3 Å²	126.3	79%	0.785	78%	0.776	S	S	*	*			cis	83.3	105.4	28.2	-168.6	79.7	0	0	0	114
935	D	28.1	Very low	31.9	Very low	145 Å²	145	126.2 Å²	126.2	78%	0.775	78%	0.776	S	S	*	*				-162.6	-166.9	116.7	-135.7	-72.4	0	0	0	112.4
936	K	33.4	Very low	32.9	Very low	181 Å²	181	125.1 Å²	125.1	79%	0.787	77%	0.771	S	S	*	*			trans	-146.7	141.5	-144.5	167	-176.8	168.2	-167.8	0	115.7
937	A	29.1	Very low	33	Very low	88 Å²	88	130.9 Å²	130.9	73%	0.727	78%	0.775	S	S	*	*			trans	80.1	149.5	153.8	0	0	0	0	0	123.1
938	S	26.2	Very low	33.2	Very low	110 Å²	110	130.5 Å²	130.5	77%	0.769	77%	0.768	S	S	*	*			trans	92.6	121.9	145.3	-111.6	0	0	0	0	123.7
939	S	28.4	Very low	33.2	Very low	86 Å²	86	134.4 Å²	134.4	60%	0.601	77%	0.766	S	S	*	*				69.6	108.7	129	-62.6	0	0	0	0	123.6
940	E	26.9	Very low	31.9	Very low	166 Å²	166	136.4 Å²	136.4	78%	0.776	76%	0.763	S	S	*	*				82.4	137.6	120.2	-68	174.6	102.9	0	0	124.2
941	T	27.9	Very low	31.3	Very low	125 Å²	125	137 Å²	137	77%	0.767	76%	0.76	S	S	*	*			trans	68.2	101.9	147.9	46.5	0	0	0	0	123.9
942	A	26.9	Very low	31.4	Very low	97 Å²	97	136.7 Å²	136.7	80%	0.802	76%	0.755	S	S	*	*				84.3	154.9	110	0	0	0	0	0	123.5
943	A	30.6	Very low	31.8	Very low	107 Å²	107	137 Å²	137	88%	0.884	75%	0.752	S	S	*	*			trans	69.1	152.4	175.5	0	0	0	0	0	116.8
944	S	29.8	Very low	32.3	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	75%	0.749	S	S	*	*			cis	-140.6	171.1	12.3	60.4	0	0	0	0	114.4
945	R	33.5	Very low	32.8	Very low	231 Å²	231	138 Å²	138	87%	0.872	74%	0.743	S	S	*	*			trans	-105.8	172.2	171.2	-70.3	-179.6	170.1	-178.6	-3.6	110.8
946	P	47.9	Very low	33.6	Very low	114 Å²	114	137 Å²	137	74%	0.74	73%	0.734	S	S	*	*				-146.7	146.2	104.4	22.2	-0.2	0	0	0	118.2
947	F	29.6	Very low	33.7	Very low	194 Å²	194	136 Å²	136	85%	0.851	74%	0.736	S	S	*	*			trans	51.6	157.4	148.4	-70.7	-72.4	0	0	0	122.7
948	T	34.3	Very low	34	Very low	118 Å²	118	135 Å²	135	72%	0.724	73%	0.733	S	S	*	*			cis	-144.4	136.9	6.4	5	0	0	0	0	109.2
949	R	32.9	Very low	34.5	Very low	188 Å²	188	137.5 Å²	137.5	71%	0.709	74%	0.736	S	S	*	*				65.2	129.9	87.5	-147.1	-175.2	-167.1	-177.1	4.7	114	I951	R949-I951 HydrophobicContact CG-CD1 3.93Å
950	F	29.6	Very low	35.1	Very low	165 Å²	165	144.1 Å²	144.1	72%	0.724	77%	0.765	S	S	*	*			cis	-126.7	156.5	27.4	-84.9	-110.9	0	0	0	111.8
951	I	38.7	Very low	35.5	Very low	103 Å²	103	143.1 Å²	143.1	53%	0.528	77%	0.765	S	S	.	*			cis	83.6	129.7	44.8	-63.5	165.6	0	0	0	111.6	R949	R949-I951 HydrophobicContact CG-CD1 3.93Å
952	E	35.5	Very low	35.9	Very low	157 Å²	157	144 Å²	144	73%	0.734	77%	0.765	S	S	*	*			cis	-148.5	148.4	22.7	-148	120.9	-126.2	0	0	114.3
953	D	37.8	Very low	36.4	Very low	132 Å²	132	146.6 Å²	146.6	71%	0.706	76%	0.762	S	S	*	*			trans	57.5	149.9	137.4	-81.4	19.3	0	0	0	126
954	N	39.1	Very low	36.8	Very low	118 Å²	118	148.9 Å²	148.9	63%	0.631	76%	0.755	S	S	*	*			cis	-157	170.9	-0.3	-145.7	-49.4	0	0	0	114.1
955	K	42.9	Very low	37.2	Very low	153 Å²	153	150.8 Å²	150.8	67%	0.665	75%	0.751	S	S	*	*			trans	71.7	142.9	158.2	-71.8	-164.7	176.5	-74	0	120.7
956	E	45.2	Very low	37.4	Very low	125 Å²	125	145.5 Å²	145.5	58%	0.584	74%	0.742	S	S	*	*			cis	-168.8	148.6	-22.9	-124.3	166.6	-157.5	0	0	110.6
957	I	35.3	Very low	36.7	Very low	161 Å²	161	147.7 Å²	147.7	83%	0.826	74%	0.743	S	S	*	*			trans	44.2	129.1	151.8	-57.2	152.4	0	0	0	119.4
958	G	35.2	Very low	37.2	Very low	65 Å²	65	144.2 Å²	144.2	67%	0.67	73%	0.734	S	S	*	*			cis	170.4	163.6	-1.6	0	0	0	0	0	113.5
959	I	36	Very low	37.5	Very low	163 Å²	163	146.3 Å²	146.3	84%	0.836	74%	0.735	S	S	*	*			trans	-17.5	150.8	164.5	50	175.5	0	0	0	118.6
960	N	41.5	Very low	37.9	Very low	226 Å²	226	142.5 Å²	142.5	100%	1.209	74%	0.737	S	S	*	*			cis	-145.7	0	26	-162.5	39.4	0	0	0	112.8

Retrieved 960 of 960 residues in 263.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).