A0A087YC23_POEFO Loading...

[histone H4]-N-methyl-L-lysine20 N-methyltransferase KMT5B

AlphaFold DB , UniProt , Accession A0A087YC23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 823 aa.

						>A0A087YC23_POEFO|A0A087YC23
MKWLGESKNMVLNGRRHGNKLTSSDQPVSQTRSQQPQRTSLRHSRSHPRSRRCSRRCNGASLEAERRYVPSSGMTAKELCENDDLTTSLILDPYLGFQTHKMNTRFRPIKGRQEELKEIIERFKKHDNMEKAYKALTTGDWCRNLFLHKSKAQEKLFKQHVFVYLRIFTADSGFEILPCNRYSSEQNGAKIVATKEWKRNDKIEFLVGCIAELSESEENMLLRHGENDFSVMYSTRKNCAQLWLGPAAFINHDCRPNCKFVSTGRDTACVKVLRDIEPGEEISCYYGDGFFGESNEFCECYTCERRGTGAFKSKAGLPVEVPVINSKYGLRETDKRLNRLKKLGEGNRSSDSHSVGSHTDVDSQTSARTRTSSSSSSSPGLKYRTRTPSRQTVSRAVSTSCSKPAPGNSSREPKRLRSQSKPPSKVRLRSRRRTTAAARADAAPLGLRDSKVLPCKSVVTVKKEKDGPEVAPLGPRGCLTRHAAKENGGLPEGGCGSAYRTRRSTRTLRAPDPMPGAKLEPGAMDGLSPVPGGVVIKTEPADMDEYLQHGGGVTQPPVLGGGGGGYGRRSSCSGRKRPSRLRTERTIKCEGSDCEPFAAGRDGGNVLLSFADRHRDYNGVANGSKSLRRDKSKSSCRSQDKAKKKRRITRYDAQLILENSGGIPKLTLRRRRDSSSSKTADGADAVASSTLSPTSSSKISIKFSKEHDKDKAGSYIAKLNNGFAPVVHGNATKLKIQLRKEDDARRLQANGDAAGGGHRTQKVLADPSSDEDEEDDDYFHNDFEDDFIPLPPAKRLRLIVGKDSIDIDISSRRREDQSLRLNA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	30	Very low	243 Å²	243	162.8 Å²	162.8	100%	1.197	84%	0.838	S	S	*	*				0	163.3	0	-69.8	156.5	176.1	0	0	109.3
2	K	28.6	Very low	30.1	Very low	198 Å²	198	160.6 Å²	160.6	86%	0.861	83%	0.828	S	S	*	*			trans	-131.9	134.5	-179.1	-72.2	179.4	178.7	173.7	0	111.4
3	W	29.6	Very low	30.1	Very low	239 Å²	239	158.8 Å²	158.8	91%	0.905	82%	0.821	S	S	*	*			trans	-132.2	130.5	158.9	-75	77.3	0	0	0	105.3
4	L	32.6	Very low	29.8	Very low	161 Å²	161	152.9 Å²	152.9	84%	0.843	82%	0.818	S	S	*	*				71.8	106	50.7	-64.7	176.5	0	0	0	112.5
5	G	29	Very low	29.7	Very low	79 Å²	79	157.1 Å²	157.1	81%	0.814	82%	0.818	S	S	*	*			trans	-178	109.4	-177.2	0	0	0	0	0	109.6
6	E	28.8	Very low	29.8	Very low	157 Å²	157	162.8 Å²	162.8	73%	0.734	83%	0.825	S	S	*	*			trans	-58.1	153.6	-162.8	-52.6	-173.2	87.3	0	0	117.9	K8	E6-K8 IonicContact OE1-NZ 3.65Å; E6-K8 PolarHBondContact OE1-NZ 3.3Å; E6-K8 IonicContact OE2-NZ 3.77Å; E6-K8 PolarHBondContact OE2-NZ 3.16Å; E6-K8 VanDerWaalsContact OE2-NZ 3.07Å
7	S	28.9	Very low	29.8	Very low	109 Å²	109	162.9 Å²	162.9	76%	0.762	82%	0.822	S	S	*	*			trans	-130.8	91.8	160.3	54.3	0	0	0	0	111.8	N9	S7-N9 PolarHBondContact O-N 2.7Å
8	K	34	Very low	29.8	Very low	161 Å²	161	157.7 Å²	157.7	70%	0.7	82%	0.815	S	S	*	*			trans	-78.9	112.5	176.8	-74.3	-171.3	175.3	77.8	0	111.2	E6	E6-K8 IonicContact OE1-NZ 3.65Å; E6-K8 PolarHBondContact OE1-NZ 3.3Å; E6-K8 IonicContact OE2-NZ 3.77Å; E6-K8 PolarHBondContact OE2-NZ 3.16Å; E6-K8 VanDerWaalsContact OE2-NZ 3.07Å
9	N	28.6	Very low	29.7	Very low	153 Å²	153	157.8 Å²	157.8	82%	0.818	82%	0.817	S	S	*	*			trans	-76.6	140.7	161.1	-78.8	-94.7	0	0	0	109.6	S7	S7-N9 PolarHBondContact O-N 2.7Å
10	M	28.3	Very low	29.8	Very low	158 Å²	158	159.1 Å²	159.1	78%	0.778	82%	0.816	S	S	*	*			trans	-133.5	116.6	164.8	-80.6	-160.5	68.7	0	0	111.7
11	V	30.4	Very low	29.7	Very low	133 Å²	133	159 Å²	159	81%	0.806	82%	0.817	S	S	*	*			trans	-135.6	106.8	165.6	176	0	0	0	0	107.2
12	L	31.1	Very low	29.6	Very low	136 Å²	136	153.2 Å²	153.2	71%	0.712	80%	0.795	S	S	*	*			trans	-155.3	143.6	175.7	-71.1	-179.4	0	0	0	108.6
13	N	29.8	Very low	29.6	Very low	138 Å²	138	149.7 Å²	149.7	74%	0.738	80%	0.795	S	S	*	*			cis	-162	147	-24.9	-131.3	2.7	0	0	0	109.8
14	G	25.6	Very low	29.5	Very low	76 Å²	76	142.7 Å²	142.7	78%	0.784	78%	0.783	S	S	*	*			trans	-83	116.1	165.6	0	0	0	0	0	110.8
15	R	29.6	Very low	29.4	Very low	215 Å²	215	142.3 Å²	142.3	81%	0.811	78%	0.782	S	S	*	*			trans	-82.4	129.7	178.6	-88	-177.6	167.2	176.3	-2.6	112.6
16	R	30.6	Very low	29.4	Very low	248 Å²	248	147.2 Å²	147.2	94%	0.936	78%	0.783	S	S	*	*			trans	-142.3	121.6	139.7	-72.7	-164.5	179.3	-162.7	-0	109.4
17	H	30.2	Very low	30.1	Very low	166 Å²	166	144.8 Å²	144.8	77%	0.769	78%	0.781	S	S	*	*			trans	-102.8	157	160	-65	-97.2	0	0	0	107.4
18	G	28.6	Very low	30	Very low	68 Å²	68	145.2 Å²	145.2	70%	0.701	78%	0.779	S	S	*	*			cis	-129	-136.9	-10.3	0	0	0	0	0	109.9
19	N	29.5	Very low	29.8	Very low	160 Å²	160	143.3 Å²	143.3	86%	0.856	79%	0.786	S	S	*	*			cis	-156.4	-164.2	-10	-139.5	46	0	0	0	109.8
20	K	29.9	Very low	29.9	Very low	184 Å²	184	144.3 Å²	144.3	80%	0.8	79%	0.786	S	S	*	*			trans	-149	175.6	177.9	-87.2	-165.4	176.8	-172.7	0	113.1
21	L	29.7	Very low	30	Very low	157 Å²	157	142.6 Å²	142.6	82%	0.822	78%	0.784	S	S	*	*			trans	106.8	114.9	168.8	-57.5	170.3	0	0	0	111.9
22	T	29.3	Very low	30	Very low	121 Å²	121	147.1 Å²	147.1	74%	0.742	79%	0.787	S	S	*	*			cis	85.4	100.1	38.2	69.1	0	0	0	0	116
23	S	27.5	Very low	29.9	Very low	124 Å²	124	144.4 Å²	144.4	87%	0.867	78%	0.779	S	S	*	*			trans	-172.5	176.3	136.2	57.4	0	0	0	0	110.3
24	S	28.2	Very low	30	Very low	93 Å²	93	145.9 Å²	145.9	65%	0.65	78%	0.782	S	S	*	*			trans	-80.4	160.9	-179.2	53.3	0	0	0	0	113.7
25	D	28.8	Very low	30.1	Very low	153 Å²	153	150.8 Å²	150.8	82%	0.818	78%	0.784	S	S	*	*				-177.4	164.8	108.6	-85.9	-5.4	0	0	0	112.7
26	Q	29.5	Very low	31	Very low	181 Å²	181	144.9 Å²	144.9	85%	0.846	77%	0.774	S	S	*	*			trans	-109.9	165.5	167.1	-106.6	-162	29.4	0	0	108.1
27	P	43.2	Very low	31.1	Very low	106 Å²	106	140.1 Å²	140.1	69%	0.688	76%	0.762	S	S	*	*			cis	-148.2	-179.5	37.2	42	-20.9	0	0	0	118.1
28	V	28.5	Very low	31.1	Very low	118 Å²	118	141.7 Å²	141.7	72%	0.715	76%	0.761	S	S	*	*			trans	44.2	120.5	144.7	172.4	0	0	0	0	120.8
29	S	28.9	Very low	31.2	Very low	121 Å²	121	144.1 Å²	144.1	85%	0.846	76%	0.763	S	S	*	*				-164.3	155.2	124.8	-87.5	0	0	0	0	113.9
30	Q	31.5	Very low	31.2	Very low	175 Å²	175	141.2 Å²	141.2	82%	0.818	76%	0.755	S	S	*	*			trans	-81.4	150.2	-166.4	-55.9	162.7	7.6	0	0	112.7
31	T	29.4	Very low	31.4	Very low	122 Å²	122	140.1 Å²	140.1	75%	0.748	76%	0.757	S	S	*	*				-178.2	139.5	89	28	0	0	0	0	109
32	R	31.3	Very low	31.4	Very low	227 Å²	227	143 Å²	143	86%	0.857	76%	0.757	S	S	*	*				65.4	122.6	72.2	-164.4	-177.9	176.8	173.7	0.6	112.2
33	S	29.1	Very low	31.5	Very low	79 Å²	79	146.2 Å²	146.2	55%	0.552	76%	0.763	S	S	*	*			cis	-167.2	161.1	5.3	39.1	0	0	0	0	114.7
34	Q	30.8	Very low	31.4	Very low	170 Å²	170	144.6 Å²	144.6	79%	0.794	75%	0.751	S	S	*	*			trans	57.2	119.2	145.8	-66.7	159.8	9	0	0	119.6
35	Q	29.1	Very low	31.6	Very low	179 Å²	179	151.8 Å²	151.8	84%	0.836	76%	0.764	S	S	*	*				53	151.9	71.2	-85.9	-160.3	-15.5	0	0	116.5
36	P	47.2	Very low	31.5	Very low	90 Å²	90	150.1 Å²	150.1	58%	0.584	77%	0.765	S	S	*	*			cis	-146.9	-164.5	-23.2	40.1	-19.7	0	0	0	115.5
37	Q	32.8	Very low	31.6	Very low	148 Å²	148	150.5 Å²	150.5	69%	0.692	77%	0.766	S	S	*	*			trans	76.2	149.7	147.4	-84.6	-172.2	76.8	0	0	120
38	R	31.1	Very low	31.9	Very low	199 Å²	199	150.4 Å²	150.4	75%	0.751	77%	0.766	S	S	*	*			cis	-163.8	-176.1	-12	-146.6	-175.6	-168.2	148.9	-14.3	111.2
39	T	29.4	Very low	32	Very low	119 Å²	119	156.3 Å²	156.3	73%	0.73	78%	0.775	S	S	*	*			trans	70	132.4	167.3	58.9	0	0	0	0	116.6
40	S	30.9	Very low	31.9	Very low	99 Å²	99	154.9 Å²	154.9	69%	0.692	77%	0.765	S	S	*	*			cis	88.8	139.8	32.1	79.5	0	0	0	0	113.9
41	L	32.4	Very low	31.9	Very low	161 Å²	161	157.5 Å²	157.5	84%	0.843	77%	0.768	S	S	*	*			cis	-148.6	-162.4	21	-130.8	156.8	0	0	0	112.2
42	R	31.1	Very low	32	Very low	219 Å²	219	163 Å²	163	83%	0.826	77%	0.774	S	S	*	*			trans	-103.3	161.5	-170.9	-60.2	170.8	174.1	167.9	-2.9	113.3
43	H	30.3	Very low	31.9	Very low	188 Å²	188	157.8 Å²	157.8	87%	0.87	77%	0.772	S	S	*	*				-165.4	-168.6	123.8	-110.3	-74.2	0	0	0	113.6
44	S	26.6	Very low	32.1	Very low	89 Å²	89	159.4 Å²	159.4	62%	0.622	78%	0.783	S	S	*	*			trans	-127.3	148.2	-131.9	48.3	0	0	0	0	119.5
45	R	31.2	Very low	32.2	Very low	244 Å²	244	162.3 Å²	162.3	92%	0.921	79%	0.787	S	S	*	*			trans	64.5	118	149.9	-73.7	-179.7	171	-179.2	-2.1	121.4
46	S	26.6	Very low	32.5	Very low	119 Å²	119	165.4 Å²	165.4	83%	0.832	79%	0.791	S	S	*	*			trans	-169.2	170.7	133.2	57.5	0	0	0	0	113.1
47	H	32.7	Very low	31.8	Very low	188 Å²	188	166.8 Å²	166.8	87%	0.87	80%	0.801	S	S	*	*			trans	-157.1	164.6	-174.5	-92.8	3	0	0	0	108.7
48	P	48.4	Very low	31.8	Very low	104 Å²	104	167.7 Å²	167.7	68%	0.675	81%	0.811	S	S	*	*			cis	-138	-168.9	-21.1	38.9	-20	0	0	0	114
49	R	30.2	Very low	32.1	Very low	242 Å²	242	162.2 Å²	162.2	91%	0.913	82%	0.816	S	S	*	*			trans	74.1	148.9	163.3	-69.3	179.6	-179.2	-158.4	0.6	117
50	S	28.5	Very low	32.2	Very low	91 Å²	91	160.5 Å²	160.5	64%	0.636	81%	0.814	S	S	*	*			cis	-161.2	179.1	-10	62	0	0	0	0	112.2
51	R	31.3	Very low	32.2	Very low	231 Å²	231	160.5 Å²	160.5	87%	0.872	81%	0.814	S	S	*	*			trans	71.8	157.2	169.7	-63.1	172.6	-178.5	-175.8	1	115.6
52	R	30.7	Very low	32.4	Very low	236 Å²	236	160.3 Å²	160.3	89%	0.891	81%	0.813	S	S	*	*			cis	-168.4	114.5	-29.2	170.5	-168.7	-105.8	-177.1	-5.3	105.5
53	C	29.1	Very low	32.5	Very low	118 Å²	118	157 Å²	157	80%	0.797	81%	0.807	S	S	*	*			trans	-119	125.3	-179.8	-167.4	0	0	0	0	110.9
54	S	32.8	Very low	32.7	Very low	114 Å²	114	152.5 Å²	152.5	80%	0.797	80%	0.803	S	S	*	*			trans	-95	144.7	170.6	56.3	0	0	0	0	110.2
55	R	34.5	Very low	33.1	Very low	230 Å²	230	155.7 Å²	155.7	87%	0.868	81%	0.808	S	S	*	*			trans	-126.9	132.6	164.1	-74.5	-171.9	171.7	-174.9	-3.3	109.4
56	R	34.1	Very low	33.3	Very low	245 Å²	245	154.1 Å²	154.1	93%	0.925	80%	0.802	S	S	*	*			trans	-68.1	139.8	167.5	-71.9	173.4	168	166.2	-5.9	108.6
57	C	33.8	Very low	34.1	Very low	118 Å²	118	158.8 Å²	158.8	80%	0.797	80%	0.801	S	S	*	*			trans	-123.3	152.5	160	-67.8	0	0	0	0	108
58	N	32.2	Very low	34.6	Very low	167 Å²	167	156 Å²	156	89%	0.893	78%	0.784	S	S	*	*			trans	-69.8	145.9	-167.6	-67.3	-15	0	0	0	113	A60	N58-A60 PolarHBondContact O-N 2.59Å
59	G	37.1	Very low	34.5	Very low	84 Å²	84	156.3 Å²	156.3	87%	0.866	78%	0.783	S	S	*	*			trans	-76	103	176.1	0	0	0	0	0	112.4
60	A	31.8	Very low	35.6	Very low	83 Å²	83	145.8 Å²	145.8	69%	0.686	75%	0.747	S	S	*	*			trans	-78.2	159.4	149.3	0	0	0	0	0	109.5	N58 L62	N58-A60 PolarHBondContact O-N 2.59Å; A60-L62 PolarHBondContact O-N 2.76Å
61	S	30.6	Very low	36.8	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	74%	0.736	S	S	*	*			trans	-72.6	100	-172	-171.4	0	0	0	0	113	E63	S61-E63 PolarHBondContact O-N 2.75Å
62	L	36.3	Very low	38	Very low	157 Å²	157	135.1 Å²	135.1	82%	0.822	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	26	175.1	-69.1	173.1	0	0	0	113.6	A60	A60-L62 PolarHBondContact O-N 2.76Å
63	E	34.3	Very low	40.1	Very low	150 Å²	150	125.8 Å²	125.8	70%	0.701	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-16.1	175.1	-65.9	-150.7	112	0	0	114.2	S61	S61-E63 PolarHBondContact O-N 2.75Å
64	A	33.7	Very low	42.8	Very low	93 Å²	93	120.7 Å²	120.7	77%	0.769	65%	0.649	S	S	*	*	S	Bend	trans	-72.5	-32.2	173	0	0	0	0	0	112.5	R66	A64-R66 PolarHBondContact O-N 3.29Å
65	E	34.3	Very low	45.5	Very low	156 Å²	156	117.9 Å²	117.9	73%	0.729	63%	0.627	S	S	*	*			trans	-76.3	31.4	-174.8	-152	80.5	164.5	0	0	113.8	R67	E65-R67 PolarHBondContact O-N 3.42Å
66	R	36.3	Very low	48.2	Very low	211 Å²	211	107 Å²	107	80%	0.796	59%	0.586	S	S	*	*			trans	-76.8	68.3	174.9	-84.2	-169.1	172.5	-107.9	1	111	A64 Y68	A64-R66 PolarHBondContact O-N 3.29Å; R66-Y68 PolarHBondContact O-N 2.69Å; R66-Y68 VanDerWaalsContact O-N 3.16Å
67	R	44.6	Very low	50.9	Low	217 Å²	217	100.8 Å²	100.8	82%	0.819	57%	0.566	S	S	*	*			trans	5.8	93.2	165.3	-74.9	-178.1	-78.6	152.9	-5.8	113.5	E65 V69	E65-R67 PolarHBondContact O-N 3.42Å; R67-V69 PolarHBondContact O-N 3.09Å
68	Y	42.7	Very low	53.7	Low	129 Å²	129	96.8 Å²	96.8	51%	0.506	54%	0.536	S	S	.	.			trans	-61.4	105.1	161.3	-175	-89.1	0	0	0	107.1	R66 P70 E212	R66-Y68 PolarHBondContact O-N 2.69Å; R66-Y68 VanDerWaalsContact O-N 3.16Å; Y68-P70 HydrophobicContact CD1-CG 4.24Å; Y68-P70 HydrophobicContact CE1-CB 4.37Å; Y68-P70 HydrophobicContact CE1-CG 4.26Å; Y68-P70 WeakPolarHBondContact O-CD 3.35Å; Y68-E212 HydrophobicContact CE1-CB 4.46Å; Y68-E212 PolarHBondContact OH-OE1 2.67Å
69	V	46.5	Very low	56.6	Low	110 Å²	110	89 Å²	89	67%	0.667	49%	0.494	S	S	*	.			trans	-89.4	112.8	172.1	178.5	0	0	0	0	106.2	R67 S71	R67-V69 PolarHBondContact O-N 3.09Å; V69-S71 PolarHBondContact O-N 3.06Å
70	P	53.3	Low	59.3	Low	22 Å²	22	85.6 Å²	85.6	14%	0.143	46%	0.457	C	S	.	.			trans	-56.2	135.7	179.1	-26.2	37.1	0	0	0	110.5	Y68 S72 G73 M74	Y68-P70 HydrophobicContact CD1-CG 4.24Å; Y68-P70 HydrophobicContact CE1-CB 4.37Å; Y68-P70 HydrophobicContact CE1-CG 4.26Å; Y68-P70 WeakPolarHBondContact O-CD 3.35Å; P70-S72 PolarHBondContact O-N 2.96Å; P70-G73 WeakPolarHBondContact O-CA 3.37Å; P70-G73 PolarHBondContact O-N 3.28Å; P70-M74 WeakPolarHBondContact CB-O 3.22Å; P70-M74 VanDerWaalsContact CG-O 3.27Å; P70-M74 WeakPolarHBondContact CG-O 3.38Å
71	S	52	Low	62.1	Low	59 Å²	59	85 Å²	85	41%	0.413	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.7	-178.9	-164.9	0	0	0	0	113.1	V69 G73 R265 D266	V69-S71 PolarHBondContact O-N 3.06Å; S71-G73 VanDerWaalsContact C-N 3.26Å; S71-R265 PolarHBondContact OG-NH1 3.24Å; S71-D266 WeakPolarHBondContact CB-OD1 3.27Å; S71-D266 PolarHBondContact N-OD1 3.08Å; S71-D266 PolarHBondContact N-OD2 2.81Å
72	S	58.1	Low	65.1	Low	38 Å²	38	80.3 Å²	80.3	27%	0.266	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.9	163.4	58.5	0	0	0	0	112.8	P70 M74 L156 D266	P70-S72 PolarHBondContact O-N 2.96Å; S72-M74 VanDerWaalsContact C-N 3.3Å; S72-M74 PolarHBondContact OG-N 2.83Å; S72-M74 PolarHBondContact OG-O 3.01Å; S72-L156 WeakPolarHBondContact O-CD2 3.34Å; S72-D266 VanDerWaalsContact N-CG 3.33Å; S72-D266 PolarHBondContact N-OD2 3.43Å; S72-D266 PolarHBondContact OG-OD2 2.96Å
73	G	74.6	Confident	67.9	Low	40 Å²	40	72.9 Å²	72.9	41%	0.412	37%	0.368	S	S	.	.	S	Bend	trans	82.6	-5.5	-169.3	0	0	0	0	0	115	P70 S71 L156	P70-G73 WeakPolarHBondContact O-CA 3.37Å; P70-G73 PolarHBondContact O-N 3.28Å; S71-G73 VanDerWaalsContact C-N 3.26Å; G73-L156 VanDerWaalsContact O-CD1 3.25Å; G73-L156 WeakPolarHBondContact O-CD1 3.36Å
74	M	85.3	Confident	70.8	Confident	11 Å²	11	66 Å²	66	5%	0.054	34%	0.336	C	S	.	.			trans	-107.1	130.6	178.8	-71.7	-175.7	-89.7	0	0	111.4	P70 S72 E78 N82 L156	P70-M74 WeakPolarHBondContact CB-O 3.22Å; P70-M74 VanDerWaalsContact CG-O 3.27Å; P70-M74 WeakPolarHBondContact CG-O 3.38Å; S72-M74 VanDerWaalsContact C-N 3.3Å; S72-M74 PolarHBondContact OG-N 2.83Å; S72-M74 PolarHBondContact OG-O 3.01Å; M74-E78 HydrophobicContact CB-CB 4.29Å; M74-N82 HydrophobicContact SD-CB 4.46Å; M74-N82 PolarHBondContact SD-ND2 3.27Å; M74-L156 HydrophobicContact CE-CB 4.37Å; M74-L156 HydrophobicContact CG-CB 3.79Å; M74-L156 HydrophobicContact CG-CD1 3.86Å; M74-L156 HydrophobicContact CG-CD2 4.19Å; M74-L156 HydrophobicContact CG-CG 4.16Å; M74-L156 HydrophobicContact SD-CB 3.99Å
75	T	90.1	Very high	73.6	Confident	55 Å²	55	62.9 Å²	62.9	34%	0.337	31%	0.306	S	S	.	.			trans	-66	161.4	165.3	58.9	0	0	0	0	111.4	K77 E78 L79	T75-K77 PolarHBondContact O-N 3.04Å; T75-E78 WeakPolarHBondContact CB-OE2 3.27Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.43Å; T75-E78 PolarHBondContact N-OE2 3.37Å; T75-E78 PolarHBondContact O-N 2.68Å; T75-E78 VanDerWaalsContact O-N 3.08Å; T75-E78 VanDerWaalsContact OG1-CD 3.29Å; T75-E78 VanDerWaalsContact OG1-CG 3.27Å; T75-E78 WeakPolarHBondContact OG1-CG 3.26Å; T75-E78 PolarHBondContact OG1-N 3.2Å; T75-E78 PolarHBondContact OG1-OE2 2.73Å; T75-L79 PolarHBondContact O-N 2.79Å
76	A	90.9	Very high	76.4	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-54.4	-41.9	176.9	0	0	0	0	0	112.2	L79 C80 A211 L213 L221	A76-L79 PolarHBondContact O-N 2.85Å; A76-C80 PolarHBondContact O-N 2.79Å; A76-C80 PolarHBondContact O-SG 3.05Å; A76-A211 HydrophobicContact CB-CB 3.83Å; A76-L213 HydrophobicContact CB-CD2 3.56Å; A76-L221 HydrophobicContact CB-CD1 3.83Å
77	K	90.9	Very high	79.2	Confident	115 Å²	115	45.4 Å²	45.4	50%	0.5	23%	0.234	S	C	.	.	H	α-helix	trans	-63.2	-42.2	175.8	-176.6	174.9	179.3	-68.5	0	113	T75 L79 C80 E81 L221	T75-K77 PolarHBondContact O-N 3.04Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-C80 PolarHBondContact O-N 2.92Å; K77-E81 IonicContact NZ-OE1 3.43Å; K77-E81 PolarHBondContact NZ-OE1 2.72Å; K77-E81 WeakPolarHBondContact O-CG 3.16Å; K77-E81 PolarHBondContact O-N 3.07Å; K77-L221 HydrophobicContact CB-CD2 4.25Å; K77-L221 HydrophobicContact CG-CD2 4.37Å
78	E	91.4	Very high	81.5	Confident	34 Å²	34	35.1 Å²	35.1	16%	0.159	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-34.2	176.6	-72.1	165.3	129.8	0	0	112	M74 T75 N82 Q153	M74-E78 HydrophobicContact CB-CB 4.29Å; T75-E78 WeakPolarHBondContact CB-OE2 3.27Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.43Å; T75-E78 PolarHBondContact N-OE2 3.37Å; T75-E78 PolarHBondContact O-N 2.68Å; T75-E78 VanDerWaalsContact O-N 3.08Å; T75-E78 VanDerWaalsContact OG1-CD 3.29Å; T75-E78 VanDerWaalsContact OG1-CG 3.27Å; T75-E78 WeakPolarHBondContact OG1-CG 3.26Å; T75-E78 PolarHBondContact OG1-N 3.2Å; T75-E78 PolarHBondContact OG1-OE2 2.73Å; E78-N82 WeakPolarHBondContact O-CB 3.03Å; E78-N82 PolarHBondContact O-N 3.18Å; E78-N82 PolarHBondContact O-ND2 3.14Å; E78-Q153 WeakPolarHBondContact OE1-CG 3.37Å; E78-Q153 PolarHBondContact OE1-NE2 3.32Å
79	L	93.3	Very high	83.9	Confident	4 Å²	4	29 Å²	29	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-48.2	173.3	-176	59.4	0	0	0	110.5	T75 A76 K77 E81 N82 D83 C209 A211 L244	T75-L79 PolarHBondContact O-N 2.79Å; A76-L79 PolarHBondContact O-N 2.85Å; K77-L79 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 2.83Å; L79-N82 PolarHBondContact O-N 3.35Å; L79-D83 VanDerWaalsContact O-CB 3.28Å; L79-D83 WeakPolarHBondContact O-CB 3.38Å; L79-D83 PolarHBondContact O-N 3.36Å; L79-C209 HydrophobicContact CD1-CB 3.72Å; L79-C209 HydrophobicContact CD2-CB 4.36Å; L79-A211 HydrophobicContact CD2-CB 3.77Å; L79-L244 HydrophobicContact CD1-CB 4.45Å; L79-L244 HydrophobicContact CD2-CB 4.48Å; L79-L244 HydrophobicContact CG-CB 4.27Å; L79-L244 HydrophobicContact CG-CD1 4.21Å
80	C	93.7	Very high	86.2	Confident	11 Å²	11	23.8 Å²	23.8	7%	0.074	14%	0.14	C	C	.	.	H	α-helix	trans	-53.9	-51.8	172.6	-65	0	0	0	0	112.6	A76 K77 D83 D84 M102 L242	A76-C80 PolarHBondContact O-N 2.79Å; A76-C80 PolarHBondContact O-SG 3.05Å; K77-C80 PolarHBondContact O-N 2.92Å; C80-D83 PolarHBondContact O-N 3.2Å; C80-D84 WeakPolarHBondContact O-CB 3.35Å; C80-D84 PolarHBondContact O-N 2.81Å; C80-M102 HydrophobicContact CB-CB 3.71Å; C80-M102 HydrophobicContact CB-CG 3.94Å; C80-L242 WeakPolarHBondContact SG-CD2 3.27Å
81	E	91.8	Very high	88.1	Confident	70 Å²	70	22.8 Å²	22.8	33%	0.327	13%	0.133	S	C	.	.	H	α-helix	trans	-62.5	-44.8	-179.1	-76.5	178	-159	0	0	112.5	K77 L79 D83 L85 K149	K77-E81 IonicContact NZ-OE1 3.43Å; K77-E81 PolarHBondContact NZ-OE1 2.72Å; K77-E81 WeakPolarHBondContact O-CG 3.16Å; K77-E81 PolarHBondContact O-N 3.07Å; L79-E81 PolarHBondContact O-N 2.83Å; E81-D83 VanDerWaalsContact C-N 3.34Å; E81-L85 WeakPolarHBondContact O-CB 3.25Å; E81-L85 VanDerWaalsContact O-CD1 3.25Å; E81-L85 WeakPolarHBondContact O-CD1 3.33Å; E81-L85 WeakPolarHBondContact O-CG 3.28Å; E81-L85 PolarHBondContact O-N 2.72Å; E81-K149 IonicContact OE2-NZ 2.72Å
82	N	93.2	Very high	90.2	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-70.9	-31.6	-177.5	-69.2	-21.1	0	0	0	111.5	M74 E78 L79 T86 K149 F157	M74-N82 HydrophobicContact SD-CB 4.46Å; M74-N82 PolarHBondContact SD-ND2 3.27Å; E78-N82 WeakPolarHBondContact O-CB 3.03Å; E78-N82 PolarHBondContact O-N 3.18Å; E78-N82 PolarHBondContact O-ND2 3.14Å; L79-N82 PolarHBondContact O-N 3.35Å; N82-T86 VanDerWaalsContact O-CB 3.24Å; N82-T86 WeakPolarHBondContact O-CB 3.1Å; N82-T86 PolarHBondContact O-N 2.85Å; N82-T86 PolarHBondContact O-OG1 2.77Å; N82-K149 PolarHBondContact OD1-NZ 3.41Å; N82-F157 HydrophobicContact CB-CD2 3.94Å
83	D	95.4	Very high	91.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-72.4	-49.1	176.1	-157.2	86.4	0	0	0	112.6	L79 C80 E81 L85 T86 T87 H160 Y164 L244 G245	L79-D83 VanDerWaalsContact O-CB 3.28Å; L79-D83 WeakPolarHBondContact O-CB 3.38Å; L79-D83 PolarHBondContact O-N 3.36Å; C80-D83 PolarHBondContact O-N 3.2Å; E81-D83 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 3.34Å; D83-T86 PolarHBondContact O-N 2.77Å; D83-T87 WeakPolarHBondContact O-CG2 3.5Å; D83-T87 PolarHBondContact O-N 3.03Å; D83-T87 PolarHBondContact O-OG1 2.91Å; D83-H160 IonicContact OD1-CD2 3.32Å; D83-H160 IonicContact OD1-CE1 3.15Å; D83-H160 IonicContact OD1-NE2 2.64Å; D83-H160 PolarHBondContact OD1-NE2 2.7Å; D83-Y164 WeakPolarHBondContact OD1-CE2 3.38Å; D83-Y164 PolarHBondContact OD1-OH 3.05Å; D83-Y164 PolarHBondContact OD2-OH 3.16Å; D83-L244 HydrophobicContact CB-CB 4.14Å; D83-L244 HydrophobicContact CB-CD1 3.79Å; D83-L244 HydrophobicContact CB-CG 4.45Å; D83-L244 WeakPolarHBondContact OD1-CB 3.35Å; D83-G245 PolarHBondContact OD1-N 3.05Å
84	D	94.3	Very high	92.7	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.027	9%	0.092	C	C	.	.	H	α-helix	trans	-54	-42.3	176	-80	-1.9	0	0	0	111.8	C80 T87 S88 K101 M102 N103 F106	C80-D84 WeakPolarHBondContact O-CB 3.35Å; C80-D84 PolarHBondContact O-N 2.81Å; D84-T87 PolarHBondContact O-OG1 3Å; D84-S88 VanDerWaalsContact O-CB 3.23Å; D84-S88 WeakPolarHBondContact O-CB 3.29Å; D84-S88 PolarHBondContact O-N 3.36Å; D84-K101 HydrophobicContact CB-CD 3.97Å; D84-K101 WeakPolarHBondContact OD1-CA 3.43Å; D84-M102 PolarHBondContact OD1-N 3.03Å; D84-N103 WeakPolarHBondContact OD2-CB 3.37Å; D84-N103 PolarHBondContact OD2-N 3.22Å; D84-F106 HydrophobicContact CB-CD2 3.79Å; D84-F106 HydrophobicContact CB-CE2 3.8Å; D84-F106 WeakPolarHBondContact O-CZ 3.41Å
85	L	92.1	Very high	93.1	Very high	28 Å²	28	19.7 Å²	19.7	15%	0.147	10%	0.097	C	C	.	.	H	α-helix	trans	-69.1	-44	175.7	-71	167.2	0	0	0	112.1	E81 D83 S88 L89 F106 L145 F157	E81-L85 WeakPolarHBondContact O-CB 3.25Å; E81-L85 VanDerWaalsContact O-CD1 3.25Å; E81-L85 WeakPolarHBondContact O-CD1 3.33Å; E81-L85 WeakPolarHBondContact O-CG 3.28Å; E81-L85 PolarHBondContact O-N 2.72Å; D83-L85 PolarHBondContact O-N 3.34Å; L85-S88 PolarHBondContact O-N 2.9Å; L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 VanDerWaalsContact O-CD1 3.25Å; L85-L89 WeakPolarHBondContact O-CD1 3.44Å; L85-L89 WeakPolarHBondContact O-CG 3.34Å; L85-L89 PolarHBondContact O-N 3Å; L85-L89 VanDerWaalsContact O-N 3.14Å; L85-F106 HydrophobicContact CD2-CE2 4.36Å; L85-L145 HydrophobicContact CD1-CD1 3.75Å; L85-L145 HydrophobicContact CD1-CD2 3.75Å; L85-L145 HydrophobicContact CD1-CG 4.39Å; L85-L145 HydrophobicContact CD2-CD2 4.22Å; L85-F157 HydrophobicContact CB-CE2 3.88Å; L85-F157 HydrophobicContact CD1-CE2 4.49Å
86	T	94.2	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.2	-43.8	-176.6	-59.4	0	0	0	0	111.7	N82 D83 S88 L89 I90 V161 Y164	N82-T86 VanDerWaalsContact O-CB 3.24Å; N82-T86 WeakPolarHBondContact O-CB 3.1Å; N82-T86 PolarHBondContact O-N 2.85Å; N82-T86 PolarHBondContact O-OG1 2.77Å; D83-T86 PolarHBondContact O-N 2.77Å; T86-S88 PolarHBondContact O-N 3.24Å; T86-L89 PolarHBondContact O-N 2.89Å; T86-I90 HydrophobicContact CG2-CD1 3.73Å; T86-I90 WeakPolarHBondContact O-CB 3.41Å; T86-I90 PolarHBondContact O-N 2.85Å; T86-I90 VanDerWaalsContact O-N 3.11Å; T86-V161 HydrophobicContact CG2-CB 4.44Å; T86-V161 HydrophobicContact CG2-CG2 4Å; T86-Y164 HydrophobicContact CG2-CD2 3.32Å; T86-Y164 HydrophobicContact CG2-CE2 4.06Å; T86-Y164 HydrophobicContact CG2-CG 3.64Å
87	T	95.1	Very high	93.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-43.9	173.9	55.2	0	0	0	0	110.9	D83 D84 L89 I90 L91 D92 K101 Y164 F249	D83-T87 WeakPolarHBondContact O-CG2 3.5Å; D83-T87 PolarHBondContact O-N 3.03Å; D83-T87 PolarHBondContact O-OG1 2.91Å; D84-T87 PolarHBondContact O-OG1 3Å; T87-L89 PolarHBondContact O-N 3.08Å; T87-I90 PolarHBondContact O-N 3.45Å; T87-L91 HydrophobicContact CG2-CD1 4.21Å; T87-L91 PolarHBondContact O-N 2.8Å; T87-D92 PolarHBondContact O-N 3.02Å; T87-K101 WeakPolarHBondContact OG1-CE 3.43Å; T87-K101 PolarHBondContact OG1-NZ 2.72Å; T87-Y164 HydrophobicContact CG2-CE1 3.88Å; T87-F249 HydrophobicContact CG2-CZ 4.42Å
88	S	93.4	Very high	93.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-65.5	-15.8	175.9	-176.6	0	0	0	0	115.4	D84 L85 T86 F106	D84-S88 VanDerWaalsContact O-CB 3.23Å; D84-S88 WeakPolarHBondContact O-CB 3.29Å; D84-S88 PolarHBondContact O-N 3.36Å; L85-S88 PolarHBondContact O-N 2.9Å; T86-S88 PolarHBondContact O-N 3.24Å; S88-F106 VanDerWaalsContact CB-CZ 3.43Å
89	L	92.4	Very high	93.6	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-99.9	-21.6	179.4	-72.9	163.5	0	0	0	113.5	L85 T86 T87 I109 L116 W141 F157	L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 VanDerWaalsContact O-CD1 3.25Å; L85-L89 WeakPolarHBondContact O-CD1 3.44Å; L85-L89 WeakPolarHBondContact O-CG 3.34Å; L85-L89 PolarHBondContact O-N 3Å; L85-L89 VanDerWaalsContact O-N 3.14Å; T86-L89 PolarHBondContact O-N 2.89Å; T87-L89 PolarHBondContact O-N 3.08Å; L89-I109 HydrophobicContact CD2-CD1 3.67Å; L89-I109 HydrophobicContact CG-CD1 4.41Å; L89-L116 HydrophobicContact CD2-CD1 4.32Å; L89-L116 HydrophobicContact CD2-CD2 3.96Å; L89-W141 HydrophobicContact CD1-CH2 3.55Å; L89-W141 HydrophobicContact CD1-CZ2 4.22Å; L89-W141 HydrophobicContact CD1-CZ3 4.37Å; L89-W141 HydrophobicContact CD2-CH2 3.56Å; L89-W141 HydrophobicContact CD2-CZ2 3.46Å; L89-W141 VanDerWaalsContact CD2-CZ2 3.46Å; L89-W141 HydrophobicContact CD2-CZ3 4.41Å; L89-W141 HydrophobicContact CG-CH2 4.12Å; L89-W141 HydrophobicContact CG-CZ2 4.47Å; L89-F157 HydrophobicContact CD1-CZ 4.04Å
90	I	93.9	Very high	93.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-128.4	-50.9	-166.2	-58.4	179.2	0	0	0	111.6	T86 T87 Y94 I120 L136 V161 L165 F168	T86-I90 HydrophobicContact CG2-CD1 3.73Å; T86-I90 WeakPolarHBondContact O-CB 3.41Å; T86-I90 PolarHBondContact O-N 2.85Å; T86-I90 VanDerWaalsContact O-N 3.11Å; T87-I90 PolarHBondContact O-N 3.45Å; I90-Y94 VanDerWaalsContact O-CB 3.25Å; I90-Y94 WeakPolarHBondContact O-CB 3.38Å; I90-I120 HydrophobicContact CB-CD1 4.44Å; I90-I120 HydrophobicContact CG1-CD1 4.33Å; I90-I120 HydrophobicContact CG2-CD1 3.91Å; I90-I120 HydrophobicContact CG2-CG1 4.46Å; I90-L136 HydrophobicContact CD1-CD1 3.97Å; I90-L136 HydrophobicContact CG1-CD1 3.86Å; I90-V161 HydrophobicContact CD1-CG1 4.01Å; I90-L165 HydrophobicContact CD1-CD2 4.18Å; I90-L165 HydrophobicContact CD1-CG 4.19Å; I90-F168 HydrophobicContact CG2-CD2 4.29Å; I90-F168 HydrophobicContact CG2-CE2 3.46Å; I90-F168 VanDerWaalsContact CG2-CE2 3.46Å; I90-F168 HydrophobicContact CG2-CZ 4.14Å
91	L	94.8	Very high	93.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-85.2	-48.2	-176.7	-67.2	-166	0	0	0	112.6	T87 Y94 L95 T99 Y164 I167 F168 I176 F249	T87-L91 HydrophobicContact CG2-CD1 4.21Å; T87-L91 PolarHBondContact O-N 2.8Å; L91-Y94 PolarHBondContact O-N 3.02Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 PolarHBondContact O-N 3.15Å; L91-T99 HydrophobicContact CB-CG2 4.16Å; L91-Y164 HydrophobicContact CD1-CD1 3.92Å; L91-Y164 HydrophobicContact CD1-CE1 3.54Å; L91-Y164 HydrophobicContact CD2-CD1 4.32Å; L91-Y164 HydrophobicContact CG-CD1 3.93Å; L91-Y164 HydrophobicContact CG-CE1 4.04Å; L91-I167 HydrophobicContact CD2-CD1 3.99Å; L91-F168 HydrophobicContact CD2-CE2 4.25Å; L91-F168 HydrophobicContact CD2-CZ 3.95Å; L91-I176 HydrophobicContact CD1-CD1 3.67Å; L91-I176 HydrophobicContact CD2-CD1 4.25Å; L91-I176 HydrophobicContact CD2-CG2 3.92Å; L91-F249 HydrophobicContact CD1-CD2 4.19Å; L91-F249 HydrophobicContact CD1-CE1 4.49Å; L91-F249 HydrophobicContact CD1-CE2 3.44Å; L91-F249 VanDerWaalsContact CD1-CE2 3.44Å; L91-F249 HydrophobicContact CD1-CZ 3.61Å
92	D	94.5	Very high	93.7	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-59	-42.8	-177.6	-62.3	1.6	0	0	0	111.8	T87 G96 F97 T99 K101	T87-D92 PolarHBondContact O-N 3.02Å; D92-G96 WeakPolarHBondContact O-CA 3.45Å; D92-G96 PolarHBondContact O-N 2.79Å; D92-F97 VanDerWaalsContact CA-O 3.22Å; D92-F97 WeakPolarHBondContact CA-O 3.46Å; D92-F97 WeakPolarHBondContact CB-O 3.49Å; D92-F97 PolarHBondContact O-N 2.76Å; D92-T99 WeakPolarHBondContact OD1-CB 3.39Å; D92-T99 PolarHBondContact OD1-N 2.82Å; D92-T99 PolarHBondContact OD1-OG1 2.85Å; D92-K101 IonicContact OD1-NZ 2.61Å; D92-K101 PolarHBondContact OD1-NZ 3.28Å; D92-K101 VanDerWaalsContact OD2-CE 3.26Å; D92-K101 WeakPolarHBondContact OD2-CE 3.2Å; D92-K101 IonicContact OD2-NZ 3.63Å; D92-K101 PolarHBondContact OD2-NZ 2.85Å
93	P	93.5	Very high	93.5	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.032	12%	0.119	C	C	.	.	H	α-helix	trans	-72	-26.1	174.8	-13.6	28.4	0	0	0	114.1	L116 K117	P93-L116 HydrophobicContact CB-CB 3.91Å; P93-L116 HydrophobicContact CG-CB 3.8Å; P93-L116 HydrophobicContact CG-CD1 3.87Å; P93-L116 HydrophobicContact CG-CG 4.48Å; P93-K117 WeakPolarHBondContact O-CD 3.27Å
94	Y	93	Very high	92.8	Very high	47 Å²	47	24.3 Å²	24.3	18%	0.184	14%	0.138	C	C	.	.	H	α-helix	trans	-73.5	-53.1	178.2	177	-115.6	0	0	0	111.2	I90 L91 K117 K124 F168 I176	I90-Y94 VanDerWaalsContact O-CB 3.25Å; I90-Y94 WeakPolarHBondContact O-CB 3.38Å; L91-Y94 PolarHBondContact O-N 3.02Å; Y94-K117 PolarHBondContact O-NZ 3.3Å; Y94-K124 VanDerWaalsContact CE2-NZ 3.27Å; Y94-F168 AromaticContact CD1-CE1 3.63Å; Y94-F168 HydrophobicContact CD1-CE1 3.63Å; Y94-F168 AromaticContact CD1-CZ 3.96Å; Y94-F168 HydrophobicContact CD1-CZ 3.96Å; Y94-F168 HydrophobicContact CD2-CE1 4.02Å; Y94-F168 AromaticContact CE1-CE1 3.75Å; Y94-F168 HydrophobicContact CE1-CE1 3.75Å; Y94-F168 HydrophobicContact CE1-CZ 4.45Å; Y94-F168 HydrophobicContact CE2-CE1 4.14Å; Y94-F168 AromaticContact CG-CE1 3.76Å; Y94-F168 HydrophobicContact CG-CE1 3.76Å; Y94-F168 HydrophobicContact CG-CZ 4.09Å; Y94-F168 AromaticContact CZ-CE1 3.99Å; Y94-I176 HydrophobicContact CD1-CG2 4.29Å; Y94-I176 HydrophobicContact CE1-CG2 4.27Å
95	L	93.3	Very high	92.3	Very high	28 Å²	28	34.4 Å²	34.4	15%	0.147	18%	0.176	C	C	.	.	H	α-helix	trans	-76	-22	-178.5	-65.6	169.6	0	0	0	113	L91 F97 T99 I176 P178 A189	L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 PolarHBondContact O-N 3.15Å; L95-F97 HydrophobicContact CB-CD1 4.16Å; L95-F97 HydrophobicContact CB-CE1 3.88Å; L95-F97 HydrophobicContact CB-CE2 4.26Å; L95-F97 HydrophobicContact CB-CG 4.49Å; L95-F97 HydrophobicContact CB-CZ 3.94Å; L95-F97 HydrophobicContact CD1-CE2 4.13Å; L95-F97 HydrophobicContact CD1-CZ 4.04Å; L95-F97 HydrophobicContact CG-CZ 4.41Å; L95-T99 HydrophobicContact CD1-CG2 3.51Å; L95-I176 HydrophobicContact CD1-CD1 4.21Å; L95-I176 HydrophobicContact CD1-CG1 4.38Å; L95-P178 HydrophobicContact CD2-CG 4.42Å; L95-A189 HydrophobicContact CD1-CB 4.2Å
96	G	92.1	Very high	92	Very high	64 Å²	64	34.8 Å²	34.8	66%	0.66	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	8.6	179.4	0	0	0	0	0	114.6	D92	D92-G96 WeakPolarHBondContact O-CA 3.45Å; D92-G96 PolarHBondContact O-N 2.79Å
97	F	92.9	Very high	91.4	Very high	43 Å²	43	45.3 Å²	45.3	19%	0.189	22%	0.216	C	C	.	.	S	Bend	trans	-144	163.1	177.2	59	-107.4	0	0	0	111	D92 L95 T99 P178 N187 G188	D92-F97 VanDerWaalsContact CA-O 3.22Å; D92-F97 WeakPolarHBondContact CA-O 3.46Å; D92-F97 WeakPolarHBondContact CB-O 3.49Å; D92-F97 PolarHBondContact O-N 2.76Å; L95-F97 HydrophobicContact CB-CD1 4.16Å; L95-F97 HydrophobicContact CB-CE1 3.88Å; L95-F97 HydrophobicContact CB-CE2 4.26Å; L95-F97 HydrophobicContact CB-CG 4.49Å; L95-F97 HydrophobicContact CB-CZ 3.94Å; L95-F97 HydrophobicContact CD1-CE2 4.13Å; L95-F97 HydrophobicContact CD1-CZ 4.04Å; L95-F97 HydrophobicContact CG-CZ 4.41Å; F97-T99 HydrophobicContact CD2-CG2 4.45Å; F97-T99 HydrophobicContact CE2-CG2 4.05Å; F97-T99 PolarHBondContact O-N 2.64Å; F97-P178 HydrophobicContact CE1-CB 3.82Å; F97-P178 HydrophobicContact CE1-CG 3.86Å; F97-P178 HydrophobicContact CZ-CB 4.06Å; F97-P178 HydrophobicContact CZ-CG 4.35Å; F97-N187 HydrophobicContact CD2-CB 3.62Å; F97-N187 HydrophobicContact CE2-CB 4.05Å; F97-N187 VanDerWaalsContact CE2-O 3.28Å; F97-N187 WeakPolarHBondContact CE2-O 3.22Å; F97-N187 HydrophobicContact CG-CB 4.26Å; F97-G188 WeakPolarHBondContact CZ-O 3.44Å
98	Q	93.9	Very high	90.6	Very high	67 Å²	67	47.7 Å²	47.7	31%	0.313	23%	0.232	S	C	.	.			trans	-75.8	111.8	174.8	174	149.8	88.5	0	0	111.1	K101 N187	Q98-K101 HydrophobicContact CG-CG 4.25Å; Q98-N187 WeakPolarHBondContact O-CB 2.96Å; Q98-N187 PolarHBondContact O-ND2 3.11Å
99	T	94.9	Very high	89.7	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.025	24%	0.24	C	C	.	.			trans	-67.6	173.5	167.5	58.9	0	0	0	0	111.5	L91 D92 L95 F97 K101 F249	L91-T99 HydrophobicContact CB-CG2 4.16Å; D92-T99 WeakPolarHBondContact OD1-CB 3.39Å; D92-T99 PolarHBondContact OD1-N 2.82Å; D92-T99 PolarHBondContact OD1-OG1 2.85Å; L95-T99 HydrophobicContact CD1-CG2 3.51Å; F97-T99 HydrophobicContact CD2-CG2 4.45Å; F97-T99 HydrophobicContact CE2-CG2 4.05Å; F97-T99 PolarHBondContact O-N 2.64Å; T99-K101 PolarHBondContact O-NZ 3.47Å; T99-K101 PolarHBondContact OG1-NZ 3.43Å; T99-F249 HydrophobicContact CG2-CE1 4.12Å; T99-F249 HydrophobicContact CG2-CZ 4.29Å
100	H	93.8	Very high	88.8	Confident	39 Å²	39	58.6 Å²	58.6	18%	0.181	28%	0.28	C	S	.	.			trans	-48.7	149.4	178.4	60.2	-136.5	0	0	0	113.6	F229 F249	H100-F229 HydrophobicContact CB-CD1 4.22Å; H100-F229 HydrophobicContact CB-CD2 4.31Å; H100-F229 HydrophobicContact CB-CE1 3.87Å; H100-F229 HydrophobicContact CB-CE2 3.97Å; H100-F229 HydrophobicContact CB-CG 4.46Å; H100-F229 HydrophobicContact CB-CZ 3.74Å; H100-F229 AromaticContact CD2-CE2 3.44Å; H100-F229 VanDerWaalsContact CD2-CE2 3.44Å; H100-F229 WeakPolarHBondContact CD2-CE2 3.39Å; H100-F229 AromaticContact CD2-CZ 3.54Å; H100-F229 AromaticContact CE1-CE2 3.61Å; H100-F229 AromaticContact CG-CD2 3.95Å; H100-F229 AromaticContact CG-CE2 3.43Å; H100-F229 VanDerWaalsContact CG-CE2 3.43Å; H100-F229 AromaticContact CG-CZ 3.6Å; H100-F229 AromaticContact ND1-CD2 3.72Å; H100-F229 AromaticContact ND1-CE2 3.52Å; H100-F229 AromaticContact NE2-CE2 3.58Å; H100-F249 AromaticContact CD2-CZ 3.8Å; H100-F249 AromaticContact CE1-CD1 3.63Å; H100-F249 AromaticContact CE1-CE1 3.31Å; H100-F249 WeakPolarHBondContact CE1-CE1 3.42Å; H100-F249 AromaticContact CE1-CE2 3.79Å; H100-F249 AromaticContact CE1-CZ 3.39Å; H100-F249 WeakPolarHBondContact CE1-CZ 3.2Å; H100-F249 AromaticContact ND1-CD1 4Å; H100-F249 AromaticContact ND1-CE1 3.53Å; H100-F249 AromaticContact ND1-CZ 3.94Å; H100-F249 AromaticContact NE2-CE1 3.69Å; H100-F249 AromaticContact NE2-CE2 3.59Å; H100-F249 AromaticContact NE2-CZ 3.27Å; H100-F249 VanDerWaalsContact NE2-CZ 3.27Å; H100-F249 WeakPolarHBondContact NE2-CZ 3.3Å
101	K	94.7	Very high	87.9	Confident	17 Å²	17	62.3 Å²	62.3	7%	0.074	32%	0.319	C	S	.	.			trans	-143.3	139.7	179.6	-61.5	-65.9	171.6	-74.4	0	110.2	D84 T87 D92 Q98 T99 F106	D84-K101 HydrophobicContact CB-CD 3.97Å; D84-K101 WeakPolarHBondContact OD1-CA 3.43Å; T87-K101 WeakPolarHBondContact OG1-CE 3.43Å; T87-K101 PolarHBondContact OG1-NZ 2.72Å; D92-K101 IonicContact OD1-NZ 2.61Å; D92-K101 PolarHBondContact OD1-NZ 3.28Å; D92-K101 VanDerWaalsContact OD2-CE 3.26Å; D92-K101 WeakPolarHBondContact OD2-CE 3.2Å; D92-K101 IonicContact OD2-NZ 3.63Å; D92-K101 PolarHBondContact OD2-NZ 2.85Å; Q98-K101 HydrophobicContact CG-CG 4.25Å; T99-K101 PolarHBondContact O-NZ 3.47Å; T99-K101 PolarHBondContact OG1-NZ 3.43Å; K101-F106 HydrophobicContact CB-CB 4.29Å; K101-F106 HydrophobicContact CD-CD1 3.96Å; K101-F106 HydrophobicContact CD-CE1 4.23Å; K101-F106 HydrophobicContact CD-CG 4.2Å; K101-F106 HydrophobicContact CG-CB 4.29Å; K101-F106 HydrophobicContact CG-CD1 4.06Å; K101-F106 HydrophobicContact CG-CG 4.24Å
102	M	92.9	Very high	87.3	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.039	32%	0.324	C	S	.	.	S	Bend	trans	-72.9	-35.5	175.1	-65	-55.7	-61.7	0	0	112	C80 D84 L222 N227 F229 L242 L244	C80-M102 HydrophobicContact CB-CB 3.71Å; C80-M102 HydrophobicContact CB-CG 3.94Å; D84-M102 PolarHBondContact OD1-N 3.03Å; M102-L222 HydrophobicContact CE-CD2 3.79Å; M102-N227 HydrophobicContact CE-CB 4.42Å; M102-N227 VanDerWaalsContact CE-O 3.24Å; M102-N227 WeakPolarHBondContact CE-O 3.4Å; M102-N227 PolarHBondContact O-ND2 3.27Å; M102-F229 HydrophobicContact SD-CE1 3.85Å; M102-F229 HydrophobicContact SD-CZ 3.59Å; M102-F229 VanDerWaalsContact SD-CZ 3.59Å; M102-L242 HydrophobicContact CE-CD1 3.62Å; M102-L242 HydrophobicContact CE-CD2 3.94Å; M102-L242 HydrophobicContact CE-CG 4.45Å; M102-L242 HydrophobicContact SD-CD1 3.96Å; M102-L244 HydrophobicContact CG-CD1 3.64Å; M102-L244 HydrophobicContact CG-CD2 4.23Å; M102-L244 HydrophobicContact SD-CD1 4.18Å; M102-L244 HydrophobicContact SD-CD2 4.02Å
103	N	88.8	Confident	87	Confident	82 Å²	82	65.8 Å²	65.8	44%	0.439	33%	0.334	S	S	.	.			trans	-88.6	107.5	174.2	-179.8	-1.1	0	0	0	110.7	D84 R105 F106	D84-N103 WeakPolarHBondContact OD2-CB 3.37Å; D84-N103 PolarHBondContact OD2-N 3.22Å; N103-R105 PolarHBondContact O-N 3.08Å; N103-R105 PolarHBondContact OD1-N 3.09Å; N103-F106 HydrophobicContact CB-CB 4.21Å; N103-F106 WeakPolarHBondContact O-CB 3.26Å; N103-F106 PolarHBondContact O-N 2.85Å
104	T	80.7	Confident	86.7	Confident	67 Å²	67	71.7 Å²	71.7	41%	0.411	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	6.3	-178.8	61.9	0	0	0	0	113.7	R223 E226 N227	T104-R223 VanDerWaalsContact CG2-NH2 3.27Å; T104-R223 PolarHBondContact OG1-NE 3.19Å; T104-R223 PolarHBondContact OG1-NH2 3.33Å; T104-E226 WeakPolarHBondContact CB-OE2 3.32Å; T104-E226 HydrophobicContact CG2-CB 3.82Å; T104-E226 WeakPolarHBondContact CG2-OE2 3.28Å; T104-E226 PolarHBondContact OG1-OE2 3.5Å; T104-N227 HydrophobicContact CG2-CB 4.29Å
105	R	82.8	Confident	86.6	Confident	217 Å²	217	73.4 Å²	73.4	82%	0.819	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	15.7	164.8	-61.3	-176.2	179.2	-178.1	0.5	112.8	N103	N103-R105 PolarHBondContact O-N 3.08Å; N103-R105 PolarHBondContact OD1-N 3.09Å
106	F	85.6	Confident	86.5	Confident	36 Å²	36	72 Å²	72	16%	0.158	36%	0.363	C	S	.	.			trans	-56.4	144.5	175.4	-173.1	-94.7	0	0	0	111	D84 L85 S88 K101 N103 P108	D84-F106 HydrophobicContact CB-CD2 3.79Å; D84-F106 HydrophobicContact CB-CE2 3.8Å; D84-F106 WeakPolarHBondContact O-CZ 3.41Å; L85-F106 HydrophobicContact CD2-CE2 4.36Å; S88-F106 VanDerWaalsContact CB-CZ 3.43Å; K101-F106 HydrophobicContact CB-CB 4.29Å; K101-F106 HydrophobicContact CD-CD1 3.96Å; K101-F106 HydrophobicContact CD-CE1 4.23Å; K101-F106 HydrophobicContact CD-CG 4.2Å; K101-F106 HydrophobicContact CG-CB 4.29Å; K101-F106 HydrophobicContact CG-CD1 4.06Å; K101-F106 HydrophobicContact CG-CG 4.24Å; N103-F106 HydrophobicContact CB-CB 4.21Å; N103-F106 WeakPolarHBondContact O-CB 3.26Å; N103-F106 PolarHBondContact O-N 2.85Å; F106-P108 HydrophobicContact CE1-CB 4.37Å
107	R	82.2	Confident	86.5	Confident	221 Å²	221	73.2 Å²	73.2	83%	0.834	35%	0.35	S	S	*	.			trans	-125.8	112.1	179.5	-69.1	-172.8	174	-156.3	-3.7	108.7
108	P	77.7	Confident	86.5	Confident	50 Å²	50	76.4 Å²	76.4	33%	0.325	37%	0.366	S	S	.	.			trans	-67.1	152.7	-178.8	27.2	-32.6	0	0	0	111.5	F106 K110	F106-P108 HydrophobicContact CE1-CB 4.37Å; P108-K110 PolarHBondContact O-N 3.48Å; P108-K110 VanDerWaalsContact O-N 3.13Å
109	I	76.3	Confident	86.5	Confident	37 Å²	37	73.5 Å²	73.5	19%	0.19	35%	0.352	C	S	.	.			trans	-70	107.2	-178.3	-57.9	172.6	0	0	0	109.2	L89 R112 Q113 W141	L89-I109 HydrophobicContact CD2-CD1 3.67Å; L89-I109 HydrophobicContact CG-CD1 4.41Å; I109-R112 HydrophobicContact CG2-CB 4.28Å; I109-Q113 PolarHBondContact O-NE2 2.88Å; I109-W141 HydrophobicContact CD1-CD2 3.87Å; I109-W141 HydrophobicContact CD1-CE3 3.81Å; I109-W141 HydrophobicContact CD1-CG 4.49Å; I109-W141 HydrophobicContact CD1-CH2 4.34Å; I109-W141 HydrophobicContact CD1-CZ2 4.36Å; I109-W141 HydrophobicContact CD1-CZ3 4.05Å
110	K	73	Confident	86.4	Confident	194 Å²	194	73.3 Å²	73.3	84%	0.843	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	147.6	-179.5	-63.8	-166.8	174.8	-166	0	112	P108 R112	P108-K110 PolarHBondContact O-N 3.48Å; P108-K110 VanDerWaalsContact O-N 3.13Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 2.7Å
111	G	74.8	Confident	86.3	Confident	79 Å²	79	74.5 Å²	74.5	81%	0.814	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	14.5	170.1	0	0	0	0	0	116.1
112	R	82.5	Confident	86.2	Confident	30 Å²	30	79.5 Å²	79.5	11%	0.113	38%	0.375	C	S	.	.			trans	-133.7	13.2	179.1	-149.6	-165.7	-179.6	-162.1	3.5	113.6	I109 K110 E114 E115 L116 L136 T138	I109-R112 HydrophobicContact CG2-CB 4.28Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 2.7Å; R112-E114 VanDerWaalsContact C-N 3.32Å; R112-E114 PolarHBondContact O-N 3.39Å; R112-E115 HydrophobicContact CG-CB 4.16Å; R112-E115 WeakPolarHBondContact CG-OE2 3.39Å; R112-E115 IonicContact CZ-OE1 3.26Å; R112-E115 IonicContact CZ-OE2 3.75Å; R112-E115 IonicContact NE-OE1 2.81Å; R112-E115 IonicContact NE-OE2 2.76Å; R112-E115 PolarHBondContact NE-OE2 3.42Å; R112-E115 VanDerWaalsContact NH2-CD 3.31Å; R112-E115 IonicContact NH2-OE1 3.17Å; R112-E115 PolarHBondContact NH2-OE1 3.41Å; R112-E115 IonicContact NH2-OE2 3.68Å; R112-E115 PolarHBondContact NH2-OE2 3.09Å; R112-L116 HydrophobicContact CB-CD1 4.49Å; R112-L116 HydrophobicContact CG-CG 4.47Å; R112-L116 WeakPolarHBondContact O-CB 3.5Å; R112-L116 WeakPolarHBondContact O-CD1 3.44Å; R112-L116 WeakPolarHBondContact O-CG 3.28Å; R112-L116 PolarHBondContact O-N 3.08Å; R112-L116 VanDerWaalsContact O-N 3.08Å; R112-L136 PolarHBondContact NH1-O 3.21Å; R112-T138 VanDerWaalsContact CZ-O 3.24Å; R112-T138 PolarHBondContact NH1-O 3.15Å; R112-T138 VanDerWaalsContact NH1-O 3.08Å; R112-T138 PolarHBondContact NH2-O 3.44Å
113	Q	86.8	Confident	86.2	Confident	46 Å²	46	79.5 Å²	79.5	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-69	-36.9	-170.3	-65.3	-66.2	-47.5	0	0	111	I109 K117	I109-Q113 PolarHBondContact O-NE2 2.88Å; Q113-K117 VanDerWaalsContact O-CB 3.3Å; Q113-K117 WeakPolarHBondContact O-CB 3.26Å; Q113-K117 PolarHBondContact O-N 2.86Å
114	E	88.9	Confident	86.3	Confident	130 Å²	130	79.3 Å²	79.3	61%	0.607	37%	0.37	S	S	*	.	H	α-helix	trans	-65.7	-50.5	179.6	-60.9	65.1	-144.7	0	0	110.7	R112 L116 K117 E118	R112-E114 VanDerWaalsContact C-N 3.32Å; R112-E114 PolarHBondContact O-N 3.39Å; E114-L116 PolarHBondContact O-N 2.82Å; E114-K117 WeakPolarHBondContact O-CB 3.34Å; E114-K117 PolarHBondContact O-N 3.33Å; E114-E118 PolarHBondContact O-N 3.04Å
115	E	90.9	Very high	86.8	Confident	82 Å²	82	83.7 Å²	83.7	38%	0.383	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-41	177.5	-168.2	-161.2	160	0	0	111.8	R112 E118 I119	R112-E115 HydrophobicContact CG-CB 4.16Å; R112-E115 WeakPolarHBondContact CG-OE2 3.39Å; R112-E115 IonicContact CZ-OE1 3.26Å; R112-E115 IonicContact CZ-OE2 3.75Å; R112-E115 IonicContact NE-OE1 2.81Å; R112-E115 IonicContact NE-OE2 2.76Å; R112-E115 PolarHBondContact NE-OE2 3.42Å; R112-E115 VanDerWaalsContact NH2-CD 3.31Å; R112-E115 IonicContact NH2-OE1 3.17Å; R112-E115 PolarHBondContact NH2-OE1 3.41Å; R112-E115 IonicContact NH2-OE2 3.68Å; R112-E115 PolarHBondContact NH2-OE2 3.09Å; E115-E118 WeakPolarHBondContact O-CB 3.43Å; E115-E118 PolarHBondContact O-N 2.84Å; E115-I119 HydrophobicContact CG-CD1 4.47Å; E115-I119 VanDerWaalsContact O-CG1 3.28Å; E115-I119 WeakPolarHBondContact O-CG1 3.32Å; E115-I119 PolarHBondContact O-N 2.56Å
116	L	91.3	Very high	87	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.4	-44.5	174.6	-70.3	169.4	0	0	0	110.9	L89 P93 R112 E114 E118 I119 I120 L136	L89-L116 HydrophobicContact CD2-CD1 4.32Å; L89-L116 HydrophobicContact CD2-CD2 3.96Å; P93-L116 HydrophobicContact CB-CB 3.91Å; P93-L116 HydrophobicContact CG-CB 3.8Å; P93-L116 HydrophobicContact CG-CD1 3.87Å; P93-L116 HydrophobicContact CG-CG 4.48Å; R112-L116 HydrophobicContact CB-CD1 4.49Å; R112-L116 HydrophobicContact CG-CG 4.47Å; R112-L116 WeakPolarHBondContact O-CB 3.5Å; R112-L116 WeakPolarHBondContact O-CD1 3.44Å; R112-L116 WeakPolarHBondContact O-CG 3.28Å; R112-L116 PolarHBondContact O-N 3.08Å; R112-L116 VanDerWaalsContact O-N 3.08Å; E114-L116 PolarHBondContact O-N 2.82Å; L116-E118 PolarHBondContact O-N 3.38Å; L116-I119 WeakPolarHBondContact O-CB 3.42Å; L116-I119 PolarHBondContact O-N 3.11Å; L116-I119 VanDerWaalsContact O-N 3.09Å; L116-I120 PolarHBondContact O-N 3.03Å; L116-I120 VanDerWaalsContact O-N 3.13Å; L116-L136 HydrophobicContact CD2-CD2 3.6Å
117	K	91.9	Very high	87.2	Confident	88 Å²	88	81.7 Å²	81.7	38%	0.383	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-43	175	-169.9	171.3	-169.7	146.3	0	111.9	P93 Y94 Q113 E114 I119 I120 E121	P93-K117 WeakPolarHBondContact O-CD 3.27Å; Y94-K117 PolarHBondContact O-NZ 3.3Å; Q113-K117 VanDerWaalsContact O-CB 3.3Å; Q113-K117 WeakPolarHBondContact O-CB 3.26Å; Q113-K117 PolarHBondContact O-N 2.86Å; E114-K117 WeakPolarHBondContact O-CB 3.34Å; E114-K117 PolarHBondContact O-N 3.33Å; K117-I119 VanDerWaalsContact C-N 3.28Å; K117-I119 PolarHBondContact O-N 2.97Å; K117-I120 PolarHBondContact O-N 3.34Å; K117-E121 PolarHBondContact O-N 2.97Å
118	E	92.7	Very high	87.6	Confident	110 Å²	110	75 Å²	75	51%	0.514	37%	0.367	S	S	.	.	H	α-helix	trans	-62	-32	172.4	-74.7	-175.8	-170.2	0	0	113.3	E114 E115 L116 R122	E114-E118 PolarHBondContact O-N 3.04Å; E115-E118 WeakPolarHBondContact O-CB 3.43Å; E115-E118 PolarHBondContact O-N 2.84Å; L116-E118 PolarHBondContact O-N 3.38Å; E118-R122 VanDerWaalsContact O-CB 3.28Å; E118-R122 WeakPolarHBondContact O-CB 3.47Å; E118-R122 VanDerWaalsContact O-CG 3.24Å; E118-R122 WeakPolarHBondContact O-CG 3.44Å; E118-R122 PolarHBondContact O-N 2.75Å; E118-R122 PolarHBondContact O-NE 3.08Å; E118-R122 IonicContact OE2-CZ 3.35Å; E118-R122 IonicContact OE2-NH2 2.77Å
119	I	93.1	Very high	88.3	Confident	6 Å²	6	74.8 Å²	74.8	3%	0.031	36%	0.362	C	S	.	.	H	α-helix	trans	-66.8	-41.9	174.6	-68.1	160.8	0	0	0	110.1	E115 L116 K117 R122 F123 A135 L136	E115-I119 HydrophobicContact CG-CD1 4.47Å; E115-I119 VanDerWaalsContact O-CG1 3.28Å; E115-I119 WeakPolarHBondContact O-CG1 3.32Å; E115-I119 PolarHBondContact O-N 2.56Å; L116-I119 WeakPolarHBondContact O-CB 3.42Å; L116-I119 PolarHBondContact O-N 3.11Å; L116-I119 VanDerWaalsContact O-N 3.09Å; K117-I119 VanDerWaalsContact C-N 3.28Å; K117-I119 PolarHBondContact O-N 2.97Å; I119-R122 PolarHBondContact O-N 3.25Å; I119-F123 WeakPolarHBondContact O-CB 3.07Å; I119-F123 PolarHBondContact O-N 2.84Å; I119-A135 HydrophobicContact CD1-CB 3.83Å; I119-A135 HydrophobicContact CG1-CB 3.88Å; I119-A135 HydrophobicContact CG2-CB 3.85Å; I119-L136 HydrophobicContact CB-CD2 4.25Å; I119-L136 HydrophobicContact CD1-CD2 4.36Å; I119-L136 HydrophobicContact CG2-CD2 3.84Å; I119-L136 HydrophobicContact CG2-CG 3.92Å
120	I	92.9	Very high	89.1	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-68	-42.7	176.3	-55.7	-50.1	0	0	0	111.7	I90 L116 K117 R122 F123 K124 L136 L165 F168	I90-I120 HydrophobicContact CB-CD1 4.44Å; I90-I120 HydrophobicContact CG1-CD1 4.33Å; I90-I120 HydrophobicContact CG2-CD1 3.91Å; I90-I120 HydrophobicContact CG2-CG1 4.46Å; L116-I120 PolarHBondContact O-N 3.03Å; L116-I120 VanDerWaalsContact O-N 3.13Å; K117-I120 PolarHBondContact O-N 3.34Å; I120-R122 VanDerWaalsContact C-N 3.3Å; I120-R122 PolarHBondContact O-N 3Å; I120-F123 WeakPolarHBondContact O-CB 3.45Å; I120-F123 PolarHBondContact O-N 2.78Å; I120-F123 VanDerWaalsContact O-N 3.08Å; I120-K124 PolarHBondContact O-N 2.96Å; I120-L136 HydrophobicContact CD1-CD2 4.39Å; I120-L165 HydrophobicContact CD1-CD2 3.82Å; I120-F168 HydrophobicContact CG2-CD1 3.83Å; I120-F168 HydrophobicContact CG2-CD2 4.18Å; I120-F168 HydrophobicContact CG2-CE1 3.97Å; I120-F168 HydrophobicContact CG2-CE2 4.35Å; I120-F168 HydrophobicContact CG2-CG 3.93Å; I120-F168 HydrophobicContact CG2-CZ 4.23Å
121	E	91.8	Very high	90.1	Very high	65 Å²	65	74.2 Å²	74.2	30%	0.304	36%	0.36	S	S	.	.	H	α-helix	trans	-68.2	-27	176.3	-68.7	-55.9	137.2	0	0	113.4	K117 K124 K125	K117-E121 PolarHBondContact O-N 2.97Å; E121-K124 WeakPolarHBondContact OE1-CE 3.16Å; E121-K124 IonicContact OE1-NZ 3.9Å; E121-K124 PolarHBondContact OE1-NZ 3.1Å; E121-K124 WeakPolarHBondContact OE2-CD 3.39Å; E121-K124 IonicContact OE2-NZ 3.91Å; E121-K125 WeakPolarHBondContact O-CG 3.38Å
122	R	92.6	Very high	91	Very high	122 Å²	122	70.7 Å²	70.7	46%	0.46	32%	0.323	S	S	.	.	H	α-helix	trans	-75.4	-33.2	167.5	-76	175.4	-71.1	-165.2	-5.6	112.3	E118 I119 I120 K125 H126	E118-R122 VanDerWaalsContact O-CB 3.28Å; E118-R122 WeakPolarHBondContact O-CB 3.47Å; E118-R122 VanDerWaalsContact O-CG 3.24Å; E118-R122 WeakPolarHBondContact O-CG 3.44Å; E118-R122 PolarHBondContact O-N 2.75Å; E118-R122 PolarHBondContact O-NE 3.08Å; E118-R122 IonicContact OE2-CZ 3.35Å; E118-R122 IonicContact OE2-NH2 2.77Å; I119-R122 PolarHBondContact O-N 3.25Å; I120-R122 VanDerWaalsContact C-N 3.3Å; I120-R122 PolarHBondContact O-N 3Å; R122-K125 PolarHBondContact O-N 3.04Å; R122-H126 PolarHBondContact O-CD2 2.69Å; R122-H126 VanDerWaalsContact O-CD2 3.24Å; R122-H126 PolarHBondContact O-N 3.35Å
123	F	93.7	Very high	91.5	Very high	7 Å²	7	69.8 Å²	69.8	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-48.9	174.8	173.9	-102.2	0	0	0	111.4	I119 I120 K125 H126 D127 M129 A132 L165 F168 T169	I119-F123 WeakPolarHBondContact O-CB 3.07Å; I119-F123 PolarHBondContact O-N 2.84Å; I120-F123 WeakPolarHBondContact O-CB 3.45Å; I120-F123 PolarHBondContact O-N 2.78Å; I120-F123 VanDerWaalsContact O-N 3.08Å; F123-K125 PolarHBondContact O-N 2.81Å; F123-H126 PolarHBondContact O-N 2.77Å; F123-D127 WeakPolarHBondContact CE2-OD1 3.29Å; F123-D127 WeakPolarHBondContact CZ-OD1 3.38Å; F123-D127 PolarHBondContact O-N 2.72Å; F123-M129 HydrophobicContact CE2-CB 4.34Å; F123-M129 HydrophobicContact CE2-CG 3.72Å; F123-M129 HydrophobicContact CZ-CG 4Å; F123-A132 HydrophobicContact CB-CB 4.08Å; F123-A132 HydrophobicContact CD2-CB 3.68Å; F123-A132 HydrophobicContact CG-CB 4.1Å; F123-L165 HydrophobicContact CD1-CD2 4.24Å; F123-L165 HydrophobicContact CE1-CB 4.18Å; F123-L165 WeakPolarHBondContact CE1-O 3.31Å; F123-L165 HydrophobicContact CG-CD2 4.35Å; F123-L165 HydrophobicContact CZ-CB 4.15Å; F123-F168 HydrophobicContact CD1-CB 4.02Å; F123-F168 HydrophobicContact CE1-CB 4.04Å; F123-T169 HydrophobicContact CE1-CG2 4.09Å; F123-T169 HydrophobicContact CZ-CG2 3.86Å
124	K	91.1	Very high	91.7	Very high	78 Å²	78	73.6 Å²	73.6	34%	0.339	34%	0.335	S	S	.	.	H	α-helix	trans	-49.8	-29.5	175.3	-75	175.9	175.5	178.9	0	114.4	Y94 I120 E121 F168	Y94-K124 VanDerWaalsContact CE2-NZ 3.27Å; I120-K124 PolarHBondContact O-N 2.96Å; E121-K124 WeakPolarHBondContact OE1-CE 3.16Å; E121-K124 IonicContact OE1-NZ 3.9Å; E121-K124 PolarHBondContact OE1-NZ 3.1Å; E121-K124 WeakPolarHBondContact OE2-CD 3.39Å; E121-K124 IonicContact OE2-NZ 3.91Å; K124-F168 HydrophobicContact CG-CB 4.08Å
125	K	90.1	Very high	91.8	Very high	159 Å²	159	69 Å²	69	69%	0.691	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-11.5	-177.6	-66.1	175	-175.5	177	0	114.7	E121 R122 F123	E121-K125 WeakPolarHBondContact O-CG 3.38Å; R122-K125 PolarHBondContact O-N 3.04Å; F123-K125 PolarHBondContact O-N 2.81Å
126	H	87.1	Confident	91.7	Very high	133 Å²	133	65.2 Å²	65.2	62%	0.616	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	-9.6	-169.4	-63.4	-45.7	0	0	0	115.1	R122 F123 N128	R122-H126 PolarHBondContact O-CD2 2.69Å; R122-H126 VanDerWaalsContact O-CD2 3.24Å; R122-H126 PolarHBondContact O-N 3.35Å; F123-H126 PolarHBondContact O-N 2.77Å; H126-N128 PolarHBondContact O-N 3.43Å
127	D	89.1	Confident	91.5	Very high	79 Å²	79	66.5 Å²	66.5	42%	0.422	31%	0.31	S	S	.	.			trans	42.6	33.2	-178.7	-160.1	9.4	0	0	0	115.7	F123 M129 T169	F123-D127 WeakPolarHBondContact CE2-OD1 3.29Å; F123-D127 WeakPolarHBondContact CZ-OD1 3.38Å; F123-D127 PolarHBondContact O-N 2.72Å; D127-M129 PolarHBondContact O-N 2.98Å; D127-T169 WeakPolarHBondContact OD1-CG2 3.42Å
128	N	92	Very high	91.1	Very high	79 Å²	79	66.7 Å²	66.7	42%	0.422	32%	0.319	S	S	.	.			trans	-98	85	-176.2	-163.3	-55.3	0	0	0	110.7	H126 E130 K131 A132	H126-N128 PolarHBondContact O-N 3.43Å; N128-E130 VanDerWaalsContact C-N 3.3Å; N128-E130 PolarHBondContact O-N 3.01Å; N128-K131 HydrophobicContact CB-CB 3.97Å; N128-K131 PolarHBondContact O-N 2.97Å; N128-K131 VanDerWaalsContact O-N 3.17Å; N128-K131 WeakPolarHBondContact OD1-CB 3.37Å; N128-K131 PolarHBondContact OD1-N 2.81Å; N128-A132 WeakPolarHBondContact O-CB 3.48Å; N128-A132 PolarHBondContact O-N 3.43Å
129	M	91.8	Very high	90.2	Very high	46 Å²	46	63 Å²	63	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-56.7	-40.8	-175.5	-57.5	177.7	-164.3	0	0	112.5	F123 D127 A132 Y133 F162 R166 T169	F123-M129 HydrophobicContact CE2-CB 4.34Å; F123-M129 HydrophobicContact CE2-CG 3.72Å; F123-M129 HydrophobicContact CZ-CG 4Å; D127-M129 PolarHBondContact O-N 2.98Å; M129-A132 PolarHBondContact O-N 2.74Å; M129-Y133 WeakPolarHBondContact O-CB 3.24Å; M129-Y133 PolarHBondContact O-N 3.13Å; M129-F162 HydrophobicContact CB-CD1 4.12Å; M129-F162 HydrophobicContact CB-CE1 3.88Å; M129-F162 HydrophobicContact CB-CZ 4.24Å; M129-F162 WeakPolarHBondContact O-CE1 3.48Å; M129-R166 HydrophobicContact CE-CG 4.33Å; M129-T169 HydrophobicContact CE-CG2 4.2Å
130	E	93.8	Very high	89.2	Confident	78 Å²	78	67.7 Å²	67.7	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-43.5	177.2	-81	-70.5	164	0	0	112.7	N128 K134 K158 F162	N128-E130 VanDerWaalsContact C-N 3.3Å; N128-E130 PolarHBondContact O-N 3.01Å; E130-K134 WeakPolarHBondContact O-CB 3.31Å; E130-K134 VanDerWaalsContact O-CG 3.26Å; E130-K134 WeakPolarHBondContact O-CG 3.46Å; E130-K134 PolarHBondContact O-N 3.02Å; E130-K158 WeakPolarHBondContact OE1-CE 3.48Å; E130-K158 IonicContact OE1-NZ 2.76Å; E130-K158 PolarHBondContact OE1-NZ 3.05Å; E130-K158 IonicContact OE2-NZ 3.43Å; E130-K158 PolarHBondContact OE2-NZ 2.96Å; E130-F162 HydrophobicContact CG-CZ 4.25Å
131	K	93.1	Very high	88.2	Confident	141 Å²	141	70.4 Å²	70.4	61%	0.613	35%	0.345	S	S	*	.	H	α-helix	trans	-67.5	-39.4	176.3	-172.4	178.5	-179.9	-178.2	0	111.2	N128 A135	N128-K131 HydrophobicContact CB-CB 3.97Å; N128-K131 PolarHBondContact O-N 2.97Å; N128-K131 VanDerWaalsContact O-N 3.17Å; N128-K131 WeakPolarHBondContact OD1-CB 3.37Å; N128-K131 PolarHBondContact OD1-N 2.81Å; K131-A135 WeakPolarHBondContact O-CB 3.21Å; K131-A135 PolarHBondContact O-N 3.13Å
132	A	93.4	Very high	87.1	Confident	6 Å²	6	67.5 Å²	67.5	5%	0.05	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-50.9	175.7	0	0	0	0	0	111.8	F123 N128 M129 K134 A135 L136 L165	F123-A132 HydrophobicContact CB-CB 4.08Å; F123-A132 HydrophobicContact CD2-CB 3.68Å; F123-A132 HydrophobicContact CG-CB 4.1Å; N128-A132 WeakPolarHBondContact O-CB 3.48Å; N128-A132 PolarHBondContact O-N 3.43Å; M129-A132 PolarHBondContact O-N 2.74Å; A132-K134 VanDerWaalsContact C-N 3.34Å; A132-K134 PolarHBondContact O-N 3.3Å; A132-A135 PolarHBondContact O-N 3.31Å; A132-A135 VanDerWaalsContact O-N 3.12Å; A132-L136 WeakPolarHBondContact O-CG 3.16Å; A132-L136 PolarHBondContact O-N 3.4Å; A132-L165 HydrophobicContact CB-CD1 3.85Å; A132-L165 HydrophobicContact CB-CD2 4.29Å
133	Y	93.1	Very high	86	Confident	11 Å²	11	69 Å²	69	4%	0.043	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-46.8	175.2	171.9	-94.4	0	0	0	112.1	M129 A135 L136 T137 F157 K158 V161 F162	M129-Y133 WeakPolarHBondContact O-CB 3.24Å; M129-Y133 PolarHBondContact O-N 3.13Å; Y133-A135 VanDerWaalsContact C-N 3.34Å; Y133-A135 PolarHBondContact O-N 2.96Å; Y133-L136 PolarHBondContact O-N 2.83Å; Y133-T137 HydrophobicContact CD2-CG2 4.14Å; Y133-T137 HydrophobicContact CE1-CG2 4.25Å; Y133-T137 HydrophobicContact CE2-CG2 3.69Å; Y133-T137 WeakPolarHBondContact O-CB 3.23Å; Y133-T137 PolarHBondContact O-N 3.02Å; Y133-T137 PolarHBondContact O-OG1 2.92Å; Y133-F157 HydrophobicContact CE2-CD1 4.14Å; Y133-F157 HydrophobicContact CE2-CE1 4.11Å; Y133-K158 HydrophobicContact CD1-CD 4.01Å; Y133-K158 HydrophobicContact CD1-CG 4.1Å; Y133-K158 HydrophobicContact CD2-CB 4.21Å; Y133-K158 HydrophobicContact CD2-CG 3.78Å; Y133-K158 HydrophobicContact CE1-CB 4.4Å; Y133-K158 HydrophobicContact CE1-CD 3.8Å; Y133-K158 HydrophobicContact CE1-CG 3.98Å; Y133-K158 HydrophobicContact CE2-CB 3.62Å; Y133-K158 HydrophobicContact CE2-CD 4.39Å; Y133-K158 HydrophobicContact CE2-CG 3.65Å; Y133-K158 HydrophobicContact CG-CD 4.4Å; Y133-K158 HydrophobicContact CG-CG 4.01Å; Y133-V161 HydrophobicContact CD2-CB 4.04Å; Y133-V161 HydrophobicContact CD2-CG1 3.75Å; Y133-V161 HydrophobicContact CD2-CG2 4.37Å; Y133-V161 HydrophobicContact CE2-CB 4.47Å; Y133-V161 HydrophobicContact CE2-CG2 4.44Å; Y133-F162 HydrophobicContact CG-CE1 4.36Å
134	K	91.6	Very high	84.8	Confident	125 Å²	125	73.8 Å²	73.8	54%	0.543	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-41.7	176.7	-74.2	173.3	-177	-179.6	0	111.9	E130 A132 T138	E130-K134 WeakPolarHBondContact O-CB 3.31Å; E130-K134 VanDerWaalsContact O-CG 3.26Å; E130-K134 WeakPolarHBondContact O-CG 3.46Å; E130-K134 PolarHBondContact O-N 3.02Å; A132-K134 VanDerWaalsContact C-N 3.34Å; A132-K134 PolarHBondContact O-N 3.3Å; K134-T138 WeakPolarHBondContact O-CB 3.21Å; K134-T138 PolarHBondContact O-N 3.33Å; K134-T138 PolarHBondContact O-OG1 3.35Å
135	A	91.1	Very high	83.8	Confident	34 Å²	34	72.1 Å²	72.1	28%	0.281	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-46.1	178.3	0	0	0	0	0	111.9	I119 K131 A132 Y133 T137 T138	I119-A135 HydrophobicContact CD1-CB 3.83Å; I119-A135 HydrophobicContact CG1-CB 3.88Å; I119-A135 HydrophobicContact CG2-CB 3.85Å; K131-A135 WeakPolarHBondContact O-CB 3.21Å; K131-A135 PolarHBondContact O-N 3.13Å; A132-A135 PolarHBondContact O-N 3.31Å; A132-A135 VanDerWaalsContact O-N 3.12Å; Y133-A135 VanDerWaalsContact C-N 3.34Å; Y133-A135 PolarHBondContact O-N 2.96Å; A135-T137 PolarHBondContact O-N 3.22Å; A135-T138 PolarHBondContact O-N 2.83Å
136	L	89.3	Confident	83.1	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-55.2	-50.5	175.2	-67.5	173.1	0	0	0	110.9	I90 R112 L116 I119 I120 A132 Y133 T138 W141 V161 L165	I90-L136 HydrophobicContact CD1-CD1 3.97Å; I90-L136 HydrophobicContact CG1-CD1 3.86Å; R112-L136 PolarHBondContact NH1-O 3.21Å; L116-L136 HydrophobicContact CD2-CD2 3.6Å; I119-L136 HydrophobicContact CB-CD2 4.25Å; I119-L136 HydrophobicContact CD1-CD2 4.36Å; I119-L136 HydrophobicContact CG2-CD2 3.84Å; I119-L136 HydrophobicContact CG2-CG 3.92Å; I120-L136 HydrophobicContact CD1-CD2 4.39Å; A132-L136 WeakPolarHBondContact O-CG 3.16Å; A132-L136 PolarHBondContact O-N 3.4Å; Y133-L136 PolarHBondContact O-N 2.83Å; L136-T138 VanDerWaalsContact C-N 3.34Å; L136-T138 PolarHBondContact O-N 3.21Å; L136-W141 WeakPolarHBondContact O-CZ2 3.15Å; L136-V161 HydrophobicContact CD1-CG1 4.19Å; L136-L165 HydrophobicContact CD1-CD2 4.37Å
137	T	87.1	Confident	82.6	Confident	26 Å²	26	65.7 Å²	65.7	16%	0.16	33%	0.334	C	S	.	.	H	α-helix	trans	-81.5	-2	-177.5	58.3	0	0	0	0	115.2	Y133 A135 G139 C142 F146 F157	Y133-T137 HydrophobicContact CD2-CG2 4.14Å; Y133-T137 HydrophobicContact CE1-CG2 4.25Å; Y133-T137 HydrophobicContact CE2-CG2 3.69Å; Y133-T137 WeakPolarHBondContact O-CB 3.23Å; Y133-T137 PolarHBondContact O-N 3.02Å; Y133-T137 PolarHBondContact O-OG1 2.92Å; A135-T137 PolarHBondContact O-N 3.22Å; T137-G139 PolarHBondContact O-N 2.93Å; T137-C142 VanDerWaalsContact CA-SG 3.6Å; T137-C142 WeakPolarHBondContact O-CB 3.42Å; T137-C142 PolarHBondContact O-SG 2.95Å; T137-F146 HydrophobicContact CG2-CE2 4.15Å; T137-F146 HydrophobicContact CG2-CZ 4.36Å; T137-F157 HydrophobicContact CG2-CE1 4.21Å
138	T	83.1	Confident	81.9	Confident	92 Å²	92	70.4 Å²	70.4	56%	0.564	35%	0.353	S	S	*	.			trans	-79.5	111.4	172	-65.5	0	0	0	0	108.8	R112 K134 A135 L136	R112-T138 VanDerWaalsContact CZ-O 3.24Å; R112-T138 PolarHBondContact NH1-O 3.15Å; R112-T138 VanDerWaalsContact NH1-O 3.08Å; R112-T138 PolarHBondContact NH2-O 3.44Å; K134-T138 WeakPolarHBondContact O-CB 3.21Å; K134-T138 PolarHBondContact O-N 3.33Å; K134-T138 PolarHBondContact O-OG1 3.35Å; A135-T138 PolarHBondContact O-N 2.83Å; L136-T138 VanDerWaalsContact C-N 3.34Å; L136-T138 PolarHBondContact O-N 3.21Å
139	G	73.3	Confident	81.5	Confident	32 Å²	32	68.6 Å²	68.6	33%	0.33	34%	0.341	S	S	.	.	S	Bend	trans	156.4	153.6	175.5	0	0	0	0	0	113.4	T137 W141 C142	T137-G139 PolarHBondContact O-N 2.93Å; G139-W141 PolarHBondContact O-N 3.13Å; G139-C142 VanDerWaalsContact O-CB 3.31Å; G139-C142 WeakPolarHBondContact O-CB 3.35Å; G139-C142 PolarHBondContact O-N 3.22Å
140	D	71.5	Confident	81.2	Confident	105 Å²	105	69 Å²	69	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-61.3	-28.6	-173.4	-70.4	-79.8	0	0	0	114.5	C142 R143 N144	D140-C142 PolarHBondContact O-N 3.35Å; D140-R143 WeakPolarHBondContact O-CB 3.43Å; D140-R143 PolarHBondContact O-N 3.41Å; D140-R143 IonicContact OD1-CZ 3.19Å; D140-R143 VanDerWaalsContact OD1-CZ 3.26Å; D140-R143 IonicContact OD1-NH1 2.76Å; D140-R143 PolarHBondContact OD1-NH1 2.85Å; D140-R143 IonicContact OD1-NH2 2.7Å; D140-R143 PolarHBondContact OD1-NH2 3.48Å; D140-R143 VanDerWaalsContact OD1-NH2 3.17Å; D140-N144 PolarHBondContact O-N 2.8Å
141	W	72.2	Confident	80.9	Confident	57 Å²	57	73.8 Å²	73.8	22%	0.216	37%	0.368	C	S	.	.	H	α-helix	trans	-58.1	-36.4	173.7	74.1	-89.4	0	0	0	111.8	L89 I109 L136 G139 N144 L145	L89-W141 HydrophobicContact CD1-CH2 3.55Å; L89-W141 HydrophobicContact CD1-CZ2 4.22Å; L89-W141 HydrophobicContact CD1-CZ3 4.37Å; L89-W141 HydrophobicContact CD2-CH2 3.56Å; L89-W141 HydrophobicContact CD2-CZ2 3.46Å; L89-W141 VanDerWaalsContact CD2-CZ2 3.46Å; L89-W141 HydrophobicContact CD2-CZ3 4.41Å; L89-W141 HydrophobicContact CG-CH2 4.12Å; L89-W141 HydrophobicContact CG-CZ2 4.47Å; I109-W141 HydrophobicContact CD1-CD2 3.87Å; I109-W141 HydrophobicContact CD1-CE3 3.81Å; I109-W141 HydrophobicContact CD1-CG 4.49Å; I109-W141 HydrophobicContact CD1-CH2 4.34Å; I109-W141 HydrophobicContact CD1-CZ2 4.36Å; I109-W141 HydrophobicContact CD1-CZ3 4.05Å; L136-W141 WeakPolarHBondContact O-CZ2 3.15Å; G139-W141 PolarHBondContact O-N 3.13Å; W141-N144 PolarHBondContact O-N 3.46Å; W141-L145 HydrophobicContact CZ3-CD2 3.82Å; W141-L145 PolarHBondContact O-N 2.86Å
142	C	69.6	Low	80.7	Confident	5 Å²	5	70 Å²	70	3%	0.034	36%	0.363	C	S	.	.	H	α-helix	trans	-71.7	-32.5	-179.6	-123	0	0	0	0	111.8	T137 G139 D140 N144 L145 F146	T137-C142 VanDerWaalsContact CA-SG 3.6Å; T137-C142 WeakPolarHBondContact O-CB 3.42Å; T137-C142 PolarHBondContact O-SG 2.95Å; G139-C142 VanDerWaalsContact O-CB 3.31Å; G139-C142 WeakPolarHBondContact O-CB 3.35Å; G139-C142 PolarHBondContact O-N 3.22Å; D140-C142 PolarHBondContact O-N 3.35Å; C142-N144 VanDerWaalsContact C-N 3.32Å; C142-N144 PolarHBondContact O-N 3.27Å; C142-L145 PolarHBondContact O-N 3.12Å; C142-F146 HydrophobicContact CB-CD2 4.27Å; C142-F146 HydrophobicContact CB-CE2 4.34Å; C142-F146 VanDerWaalsContact O-CD2 3.31Å; C142-F146 WeakPolarHBondContact O-CD2 3.35Å; C142-F146 PolarHBondContact O-N 2.77Å; C142-F146 WeakPolarHBondContact SG-CE2 3.31Å
143	R	68.8	Low	80.4	Confident	154 Å²	154	72.4 Å²	72.4	58%	0.581	37%	0.373	S	S	*	.	H	α-helix	trans	-60	-44.1	175.4	-168.7	172.6	69.4	-135.7	-7	110.7	D140 L147	D140-R143 WeakPolarHBondContact O-CB 3.43Å; D140-R143 PolarHBondContact O-N 3.41Å; D140-R143 IonicContact OD1-CZ 3.19Å; D140-R143 VanDerWaalsContact OD1-CZ 3.26Å; D140-R143 IonicContact OD1-NH1 2.76Å; D140-R143 PolarHBondContact OD1-NH1 2.85Å; D140-R143 IonicContact OD1-NH2 2.7Å; D140-R143 PolarHBondContact OD1-NH2 3.48Å; D140-R143 VanDerWaalsContact OD1-NH2 3.17Å; R143-L147 HydrophobicContact CG-CD1 4.39Å; R143-L147 VanDerWaalsContact O-CB 3.27Å; R143-L147 WeakPolarHBondContact O-CB 3.44Å; R143-L147 WeakPolarHBondContact O-CD1 3.19Å; R143-L147 WeakPolarHBondContact O-CG 3.31Å; R143-L147 PolarHBondContact O-N 2.55Å
144	N	69.1	Low	80.2	Confident	107 Å²	107	75.7 Å²	75.7	57%	0.572	39%	0.389	S	S	*	.	H	α-helix	trans	-68.4	-33.6	178.2	-65.6	-10.7	0	0	0	112.8	D140 W141 C142	D140-N144 PolarHBondContact O-N 2.8Å; W141-N144 PolarHBondContact O-N 3.46Å; C142-N144 VanDerWaalsContact C-N 3.32Å; C142-N144 PolarHBondContact O-N 3.27Å
145	L	70.6	Confident	80.2	Confident	42 Å²	42	76.2 Å²	76.2	22%	0.22	39%	0.391	C	S	.	.	H	α-helix	trans	-72.1	-43.7	176.8	176.9	65.4	0	0	0	112.8	L85 W141 C142	L85-L145 HydrophobicContact CD1-CD1 3.75Å; L85-L145 HydrophobicContact CD1-CD2 3.75Å; L85-L145 HydrophobicContact CD1-CG 4.39Å; L85-L145 HydrophobicContact CD2-CD2 4.22Å; W141-L145 HydrophobicContact CZ3-CD2 3.82Å; W141-L145 PolarHBondContact O-N 2.86Å; C142-L145 PolarHBondContact O-N 3.12Å
146	F	74.8	Confident	80.2	Confident	44 Å²	44	75.7 Å²	75.7	19%	0.193	38%	0.384	C	S	.	.	H	α-helix	trans	-85.3	-16.1	-176.4	-67.9	-56	0	0	0	114.1	T137 C142 H148 K149 E154 F157	T137-F146 HydrophobicContact CG2-CE2 4.15Å; T137-F146 HydrophobicContact CG2-CZ 4.36Å; C142-F146 HydrophobicContact CB-CD2 4.27Å; C142-F146 HydrophobicContact CB-CE2 4.34Å; C142-F146 VanDerWaalsContact O-CD2 3.31Å; C142-F146 WeakPolarHBondContact O-CD2 3.35Å; C142-F146 PolarHBondContact O-N 2.77Å; C142-F146 WeakPolarHBondContact SG-CE2 3.31Å; F146-H148 PolarHBondContact O-N 3.37Å; F146-K149 HydrophobicContact CD1-CB 4.34Å; F146-K149 HydrophobicContact CD1-CD 4.41Å; F146-K149 PolarHBondContact O-N 3.17Å; F146-E154 HydrophobicContact CD1-CG 4.23Å; F146-E154 HydrophobicContact CE1-CB 4.47Å; F146-E154 HydrophobicContact CE1-CG 3.99Å; F146-E154 HydrophobicContact CZ-CG 4.42Å; F146-F157 AromaticContact CE1-CD1 3.92Å; F146-F157 HydrophobicContact CE1-CD1 3.92Å; F146-F157 HydrophobicContact CE1-CE1 4.41Å; F146-F157 AromaticContact CZ-CD1 3.64Å; F146-F157 HydrophobicContact CZ-CD1 3.64Å; F146-F157 AromaticContact CZ-CE1 3.77Å; F146-F157 HydrophobicContact CZ-CE1 3.77Å
147	L	76.3	Confident	80.3	Confident	113 Å²	113	75.6 Å²	75.6	59%	0.592	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-24.7	177.1	-102.4	167	0	0	0	114.8	R143	R143-L147 HydrophobicContact CG-CD1 4.39Å; R143-L147 VanDerWaalsContact O-CB 3.27Å; R143-L147 WeakPolarHBondContact O-CB 3.44Å; R143-L147 WeakPolarHBondContact O-CD1 3.19Å; R143-L147 WeakPolarHBondContact O-CG 3.31Å; R143-L147 PolarHBondContact O-N 2.55Å
148	H	74.9	Confident	80.6	Confident	179 Å²	179	76.5 Å²	76.5	83%	0.829	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	0.9	178.1	-60.9	-55.3	0	0	0	114.5	F146	F146-H148 PolarHBondContact O-N 3.37Å
149	K	82.4	Confident	81.1	Confident	40 Å²	40	76.7 Å²	76.7	17%	0.174	38%	0.379	C	S	.	.			trans	-94.5	140.1	178.2	-73.4	-168.1	171.8	-171.8	0	110.8	E81 N82 F146 Q153	E81-K149 IonicContact OE2-NZ 2.72Å; N82-K149 PolarHBondContact OD1-NZ 3.41Å; F146-K149 HydrophobicContact CD1-CB 4.34Å; F146-K149 HydrophobicContact CD1-CD 4.41Å; F146-K149 PolarHBondContact O-N 3.17Å; K149-Q153 HydrophobicContact CB-CB 4.25Å
150	S	87.1	Confident	82.1	Confident	54 Å²	54	75.2 Å²	75.2	38%	0.378	36%	0.364	S	S	.	.			trans	-74.1	158	173.7	67	0	0	0	0	111.8	A152 Q153 E154	S150-A152 PolarHBondContact O-N 2.83Å; S150-A152 VanDerWaalsContact O-N 3.09Å; S150-Q153 PolarHBondContact O-N 2.93Å; S150-Q153 WeakPolarHBondContact OG-CG 3.23Å; S150-Q153 PolarHBondContact OG-N 3.45Å; S150-Q153 PolarHBondContact OG-OE1 2.99Å; S150-E154 PolarHBondContact O-N 2.86Å
151	K	87.4	Confident	83.2	Confident	180 Å²	180	70.3 Å²	70.3	78%	0.783	34%	0.338	S	S	*	.	H	α-helix	trans	-56.9	-24.9	173.9	-66.7	-172.4	176.3	-175.2	0	113.6	K155	K151-K155 WeakPolarHBondContact O-CB 3.25Å; K151-K155 PolarHBondContact O-N 3.18Å
152	A	87.9	Confident	84.2	Confident	61 Å²	61	69.7 Å²	69.7	50%	0.504	34%	0.336	S	S	.	.	H	α-helix	trans	-71	-47.4	172.9	0	0	0	0	0	111.3	S150 K155 L156	S150-A152 PolarHBondContact O-N 2.83Å; S150-A152 VanDerWaalsContact O-N 3.09Å; A152-K155 WeakPolarHBondContact O-CB 3.48Å; A152-K155 PolarHBondContact O-N 2.85Å; A152-L156 VanDerWaalsContact O-CG 3.3Å; A152-L156 WeakPolarHBondContact O-CG 3.42Å; A152-L156 PolarHBondContact O-N 3.42Å
153	Q	87.6	Confident	85.4	Confident	56 Å²	56	70.5 Å²	70.5	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-36.1	176.8	-70.8	160	-47.2	0	0	112.5	E78 K149 S150 L156 F157	E78-Q153 WeakPolarHBondContact OE1-CG 3.37Å; E78-Q153 PolarHBondContact OE1-NE2 3.32Å; K149-Q153 HydrophobicContact CB-CB 4.25Å; S150-Q153 PolarHBondContact O-N 2.93Å; S150-Q153 WeakPolarHBondContact OG-CG 3.23Å; S150-Q153 PolarHBondContact OG-N 3.45Å; S150-Q153 PolarHBondContact OG-OE1 2.99Å; Q153-L156 PolarHBondContact O-N 3.02Å; Q153-F157 WeakPolarHBondContact O-CB 3.39Å; Q153-F157 PolarHBondContact O-N 3.19Å
154	E	88.9	Confident	86.7	Confident	81 Å²	81	63.1 Å²	63.1	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-46.6	171.5	-169.9	-163.9	160.4	0	0	111.2	F146 S150 L156 F157 K158	F146-E154 HydrophobicContact CD1-CG 4.23Å; F146-E154 HydrophobicContact CE1-CB 4.47Å; F146-E154 HydrophobicContact CE1-CG 3.99Å; F146-E154 HydrophobicContact CZ-CG 4.42Å; S150-E154 PolarHBondContact O-N 2.86Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.28Å; E154-F157 PolarHBondContact O-N 3.33Å; E154-K158 WeakPolarHBondContact O-CB 3.39Å; E154-K158 PolarHBondContact O-N 2.9Å
155	K	91.1	Very high	87.9	Confident	136 Å²	136	58 Å²	58	59%	0.591	29%	0.286	S	S	*	.	H	α-helix	trans	-60.4	-42.4	175.9	-177.5	-176.1	174.6	-174.9	0	112	K151 A152 K158 Q159	K151-K155 WeakPolarHBondContact O-CB 3.25Å; K151-K155 PolarHBondContact O-N 3.18Å; A152-K155 WeakPolarHBondContact O-CB 3.48Å; A152-K155 PolarHBondContact O-N 2.85Å; K155-K158 WeakPolarHBondContact O-CB 3.5Å; K155-K158 PolarHBondContact O-N 3.34Å; K155-Q159 WeakPolarHBondContact O-CG 3.49Å; K155-Q159 PolarHBondContact O-N 3.07Å
156	L	91.4	Very high	89	Confident	23 Å²	23	60.5 Å²	60.5	12%	0.12	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-44.3	179.2	-69.1	166.5	0	0	0	111.8	S72 G73 M74 A152 Q153 E154 K158 Q159 H160	S72-L156 WeakPolarHBondContact O-CD2 3.34Å; G73-L156 VanDerWaalsContact O-CD1 3.25Å; G73-L156 WeakPolarHBondContact O-CD1 3.36Å; M74-L156 HydrophobicContact CE-CB 4.37Å; M74-L156 HydrophobicContact CG-CB 3.79Å; M74-L156 HydrophobicContact CG-CD1 3.86Å; M74-L156 HydrophobicContact CG-CD2 4.19Å; M74-L156 HydrophobicContact CG-CG 4.16Å; M74-L156 HydrophobicContact SD-CB 3.99Å; A152-L156 VanDerWaalsContact O-CG 3.3Å; A152-L156 WeakPolarHBondContact O-CG 3.42Å; A152-L156 PolarHBondContact O-N 3.42Å; Q153-L156 PolarHBondContact O-N 3.02Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.28Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.27Å; L156-Q159 PolarHBondContact O-N 2.95Å; L156-H160 PolarHBondContact O-N 3.37Å
157	F	92	Very high	89.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-44.8	172	173.4	-103.6	0	0	0	111.6	N82 L85 L89 Y133 T137 F146 Q153 E154 Q159 H160 V161	N82-F157 HydrophobicContact CB-CD2 3.94Å; L85-F157 HydrophobicContact CB-CE2 3.88Å; L85-F157 HydrophobicContact CD1-CE2 4.49Å; L89-F157 HydrophobicContact CD1-CZ 4.04Å; Y133-F157 HydrophobicContact CE2-CD1 4.14Å; Y133-F157 HydrophobicContact CE2-CE1 4.11Å; T137-F157 HydrophobicContact CG2-CE1 4.21Å; F146-F157 AromaticContact CE1-CD1 3.92Å; F146-F157 HydrophobicContact CE1-CD1 3.92Å; F146-F157 HydrophobicContact CE1-CE1 4.41Å; F146-F157 AromaticContact CZ-CD1 3.64Å; F146-F157 HydrophobicContact CZ-CD1 3.64Å; F146-F157 AromaticContact CZ-CE1 3.77Å; F146-F157 HydrophobicContact CZ-CE1 3.77Å; Q153-F157 WeakPolarHBondContact O-CB 3.39Å; Q153-F157 PolarHBondContact O-N 3.19Å; E154-F157 PolarHBondContact O-N 3.33Å; F157-Q159 VanDerWaalsContact C-N 3.32Å; F157-Q159 PolarHBondContact O-N 3.12Å; F157-H160 WeakPolarHBondContact O-CB 3.25Å; F157-H160 PolarHBondContact O-N 3.46Å; F157-H160 VanDerWaalsContact O-N 3.12Å; F157-V161 HydrophobicContact CD1-CG2 4.3Å; F157-V161 HydrophobicContact CE1-CG2 3.79Å; F157-V161 HydrophobicContact CE2-CG2 4.01Å; F157-V161 HydrophobicContact CZ-CG2 3.63Å; F157-V161 PolarHBondContact O-N 2.76Å
158	K	92.9	Very high	90.7	Very high	45 Å²	45	54.1 Å²	54.1	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-59	-40.8	175.3	-176.7	176.1	-168	-173.3	0	112.8	E130 Y133 E154 K155 L156 H160 V161 F162	E130-K158 WeakPolarHBondContact OE1-CE 3.48Å; E130-K158 IonicContact OE1-NZ 2.76Å; E130-K158 PolarHBondContact OE1-NZ 3.05Å; E130-K158 IonicContact OE2-NZ 3.43Å; E130-K158 PolarHBondContact OE2-NZ 2.96Å; Y133-K158 HydrophobicContact CD1-CD 4.01Å; Y133-K158 HydrophobicContact CD1-CG 4.1Å; Y133-K158 HydrophobicContact CD2-CB 4.21Å; Y133-K158 HydrophobicContact CD2-CG 3.78Å; Y133-K158 HydrophobicContact CE1-CB 4.4Å; Y133-K158 HydrophobicContact CE1-CD 3.8Å; Y133-K158 HydrophobicContact CE1-CG 3.98Å; Y133-K158 HydrophobicContact CE2-CB 3.62Å; Y133-K158 HydrophobicContact CE2-CD 4.39Å; Y133-K158 HydrophobicContact CE2-CG 3.65Å; Y133-K158 HydrophobicContact CG-CD 4.4Å; Y133-K158 HydrophobicContact CG-CG 4.01Å; E154-K158 WeakPolarHBondContact O-CB 3.39Å; E154-K158 PolarHBondContact O-N 2.9Å; K155-K158 WeakPolarHBondContact O-CB 3.5Å; K155-K158 PolarHBondContact O-N 3.34Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.27Å; K158-H160 VanDerWaalsContact C-N 3.34Å; K158-V161 PolarHBondContact O-N 3.42Å; K158-F162 HydrophobicContact CD-CZ 4.41Å; K158-F162 VanDerWaalsContact CE-CZ 3.46Å; K158-F162 HydrophobicContact CG-CE1 4.28Å; K158-F162 HydrophobicContact CG-CE2 4.38Å; K158-F162 HydrophobicContact CG-CZ 4.18Å; K158-F162 WeakPolarHBondContact O-CG 3.19Å; K158-F162 PolarHBondContact O-N 3.35Å
159	Q	92.4	Very high	91.4	Very high	97 Å²	97	46 Å²	46	45%	0.453	22%	0.223	S	C	.	.	H	α-helix	trans	-65.2	-38.1	175.4	-72.3	175.5	-71.8	0	0	111.7	K155 L156 F157 F162 V163	K155-Q159 WeakPolarHBondContact O-CG 3.49Å; K155-Q159 PolarHBondContact O-N 3.07Å; L156-Q159 PolarHBondContact O-N 2.95Å; F157-Q159 VanDerWaalsContact C-N 3.32Å; F157-Q159 PolarHBondContact O-N 3.12Å; Q159-F162 PolarHBondContact O-N 2.96Å; Q159-V163 WeakPolarHBondContact O-CG2 3.49Å; Q159-V163 PolarHBondContact O-N 2.99Å; Q159-V163 VanDerWaalsContact O-N 3.12Å
160	H	94.2	Very high	91.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-42.2	175.1	-152.8	65.5	0	0	0	112.3	D83 L156 F157 K158 F162 V163 Y164	D83-H160 IonicContact OD1-CD2 3.32Å; D83-H160 IonicContact OD1-CE1 3.15Å; D83-H160 IonicContact OD1-NE2 2.64Å; D83-H160 PolarHBondContact OD1-NE2 2.7Å; L156-H160 PolarHBondContact O-N 3.37Å; F157-H160 WeakPolarHBondContact O-CB 3.25Å; F157-H160 PolarHBondContact O-N 3.46Å; F157-H160 VanDerWaalsContact O-N 3.12Å; K158-H160 VanDerWaalsContact C-N 3.34Å; H160-F162 VanDerWaalsContact C-N 3.33Å; H160-F162 PolarHBondContact O-N 2.89Å; H160-V163 WeakPolarHBondContact O-CB 3.47Å; H160-V163 PolarHBondContact O-N 2.88Å; H160-V163 VanDerWaalsContact O-N 3.1Å; H160-Y164 AromaticContact NE2-CE2 3.68Å; H160-Y164 PolarHBondContact O-N 3.24Å
161	V	94.6	Very high	91.5	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-43.1	171.1	167.3	0	0	0	0	111.9	T86 I90 Y133 L136 F157 K158 V163 Y164 L165	T86-V161 HydrophobicContact CG2-CB 4.44Å; T86-V161 HydrophobicContact CG2-CG2 4Å; I90-V161 HydrophobicContact CD1-CG1 4.01Å; Y133-V161 HydrophobicContact CD2-CB 4.04Å; Y133-V161 HydrophobicContact CD2-CG1 3.75Å; Y133-V161 HydrophobicContact CD2-CG2 4.37Å; Y133-V161 HydrophobicContact CE2-CB 4.47Å; Y133-V161 HydrophobicContact CE2-CG2 4.44Å; L136-V161 HydrophobicContact CD1-CG1 4.19Å; F157-V161 HydrophobicContact CD1-CG2 4.3Å; F157-V161 HydrophobicContact CE1-CG2 3.79Å; F157-V161 HydrophobicContact CE2-CG2 4.01Å; F157-V161 HydrophobicContact CZ-CG2 3.63Å; F157-V161 PolarHBondContact O-N 2.76Å; K158-V161 PolarHBondContact O-N 3.42Å; V161-V163 VanDerWaalsContact C-N 3.28Å; V161-V163 PolarHBondContact O-N 3.26Å; V161-Y164 PolarHBondContact O-N 3.33Å; V161-L165 HydrophobicContact CG1-CD1 4.05Å; V161-L165 HydrophobicContact CG1-CG 4.31Å; V161-L165 WeakPolarHBondContact O-CG 3.48Å; V161-L165 PolarHBondContact O-N 2.94Å
162	F	94.6	Very high	91.7	Very high	43 Å²	43	43.1 Å²	43.1	19%	0.189	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-31.7	175.9	-74.6	-3.6	0	0	0	113.1	M129 E130 Y133 K158 Q159 H160 L165 R166	M129-F162 HydrophobicContact CB-CD1 4.12Å; M129-F162 HydrophobicContact CB-CE1 3.88Å; M129-F162 HydrophobicContact CB-CZ 4.24Å; M129-F162 WeakPolarHBondContact O-CE1 3.48Å; E130-F162 HydrophobicContact CG-CZ 4.25Å; Y133-F162 HydrophobicContact CG-CE1 4.36Å; K158-F162 HydrophobicContact CD-CZ 4.41Å; K158-F162 VanDerWaalsContact CE-CZ 3.46Å; K158-F162 HydrophobicContact CG-CE1 4.28Å; K158-F162 HydrophobicContact CG-CE2 4.38Å; K158-F162 HydrophobicContact CG-CZ 4.18Å; K158-F162 WeakPolarHBondContact O-CG 3.19Å; K158-F162 PolarHBondContact O-N 3.35Å; Q159-F162 PolarHBondContact O-N 2.96Å; H160-F162 VanDerWaalsContact C-N 3.33Å; H160-F162 PolarHBondContact O-N 2.89Å; F162-L165 HydrophobicContact CD1-CD1 4.26Å; F162-R166 VanDerWaalsContact O-CD 3.31Å; F162-R166 WeakPolarHBondContact O-CD 3.46Å; F162-R166 VanDerWaalsContact O-CG 3.25Å; F162-R166 WeakPolarHBondContact O-CG 3.43Å; F162-R166 PolarHBondContact O-N 2.73Å
163	V	94.1	Very high	92	Very high	22 Å²	22	40.3 Å²	40.3	13%	0.133	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-38.3	174.3	168.2	0	0	0	0	111.5	Q159 H160 V161 V207 P246	Q159-V163 WeakPolarHBondContact O-CG2 3.49Å; Q159-V163 PolarHBondContact O-N 2.99Å; Q159-V163 VanDerWaalsContact O-N 3.12Å; H160-V163 WeakPolarHBondContact O-CB 3.47Å; H160-V163 PolarHBondContact O-N 2.88Å; H160-V163 VanDerWaalsContact O-N 3.1Å; V161-V163 VanDerWaalsContact C-N 3.28Å; V161-V163 PolarHBondContact O-N 3.26Å; V163-V207 HydrophobicContact CG1-CB 3.97Å; V163-V207 HydrophobicContact CG1-CG1 4.37Å; V163-P246 VanDerWaalsContact CG1-CD 3.46Å; V163-P246 HydrophobicContact CG1-CG 3.83Å
164	Y	95.8	Very high	92.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-76	-36.4	174.6	-84.6	-87.7	0	0	0	114.1	D83 T86 T87 L91 H160 V161 R166 I167 G245 P246 F249	D83-Y164 WeakPolarHBondContact OD1-CE2 3.38Å; D83-Y164 PolarHBondContact OD1-OH 3.05Å; D83-Y164 PolarHBondContact OD2-OH 3.16Å; T86-Y164 HydrophobicContact CG2-CD2 3.32Å; T86-Y164 HydrophobicContact CG2-CE2 4.06Å; T86-Y164 HydrophobicContact CG2-CG 3.64Å; T87-Y164 HydrophobicContact CG2-CE1 3.88Å; L91-Y164 HydrophobicContact CD1-CD1 3.92Å; L91-Y164 HydrophobicContact CD1-CE1 3.54Å; L91-Y164 HydrophobicContact CD2-CD1 4.32Å; L91-Y164 HydrophobicContact CG-CD1 3.93Å; L91-Y164 HydrophobicContact CG-CE1 4.04Å; H160-Y164 AromaticContact NE2-CE2 3.68Å; H160-Y164 PolarHBondContact O-N 3.24Å; V161-Y164 PolarHBondContact O-N 3.33Å; Y164-R166 PolarHBondContact O-N 2.84Å; Y164-I167 HydrophobicContact CD1-CD1 3.81Å; Y164-I167 HydrophobicContact CE1-CD1 4.45Å; Y164-I167 WeakPolarHBondContact O-CB 3.36Å; Y164-I167 VanDerWaalsContact O-CG1 3.3Å; Y164-I167 WeakPolarHBondContact O-CG1 3.25Å; Y164-I167 PolarHBondContact O-N 3.04Å; Y164-I167 VanDerWaalsContact O-N 3.14Å; Y164-G245 WeakPolarHBondContact OH-CA 3.44Å; Y164-G245 PolarHBondContact OH-N 3.18Å; Y164-G245 PolarHBondContact OH-O 3.4Å; Y164-P246 HydrophobicContact CD1-CG 4.23Å; Y164-P246 HydrophobicContact CE1-CG 4.36Å; Y164-P246 HydrophobicContact CG-CG 4.39Å; Y164-F249 HydrophobicContact CE1-CE2 4.12Å
165	L	94.9	Very high	92.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-32.2	174.5	-73.4	175.7	0	0	0	111.8	I90 I120 F123 A132 L136 V161 F162 I167 F168	I90-L165 HydrophobicContact CD1-CD2 4.18Å; I90-L165 HydrophobicContact CD1-CG 4.19Å; I120-L165 HydrophobicContact CD1-CD2 3.82Å; F123-L165 HydrophobicContact CD1-CD2 4.24Å; F123-L165 HydrophobicContact CE1-CB 4.18Å; F123-L165 WeakPolarHBondContact CE1-O 3.31Å; F123-L165 HydrophobicContact CG-CD2 4.35Å; F123-L165 HydrophobicContact CZ-CB 4.15Å; A132-L165 HydrophobicContact CB-CD1 3.85Å; A132-L165 HydrophobicContact CB-CD2 4.29Å; L136-L165 HydrophobicContact CD1-CD2 4.37Å; V161-L165 HydrophobicContact CG1-CD1 4.05Å; V161-L165 HydrophobicContact CG1-CG 4.31Å; V161-L165 WeakPolarHBondContact O-CG 3.48Å; V161-L165 PolarHBondContact O-N 2.94Å; F162-L165 HydrophobicContact CD1-CD1 4.26Å; L165-I167 PolarHBondContact O-N 3.15Å; L165-I167 VanDerWaalsContact O-N 3.13Å; L165-F168 PolarHBondContact O-N 3.48Å
166	R	93.1	Very high	93	Very high	94 Å²	94	30.7 Å²	30.7	36%	0.355	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-63.7	-10.6	176.3	-76.3	163.1	170.8	-148.2	-4.9	115.6	M129 F162 Y164 F168 T169 S172 F205	M129-R166 HydrophobicContact CE-CG 4.33Å; F162-R166 VanDerWaalsContact O-CD 3.31Å; F162-R166 WeakPolarHBondContact O-CD 3.46Å; F162-R166 VanDerWaalsContact O-CG 3.25Å; F162-R166 WeakPolarHBondContact O-CG 3.43Å; F162-R166 PolarHBondContact O-N 2.73Å; Y164-R166 PolarHBondContact O-N 2.84Å; R166-F168 VanDerWaalsContact C-N 3.26Å; R166-T169 PolarHBondContact O-OG1 2.96Å; R166-S172 WeakPolarHBondContact O-CB 3.29Å; R166-F205 HydrophobicContact CB-CB 4.36Å; R166-F205 HydrophobicContact CB-CD1 3.97Å; R166-F205 HydrophobicContact CB-CG 4.48Å; R166-F205 HydrophobicContact CG-CD1 3.96Å; R166-F205 HydrophobicContact CG-CE1 4.34Å
167	I	93.6	Very high	93.3	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-64.8	-36.6	168	-58.5	172.2	0	0	0	110.2	L91 Y164 L165 S172 F174 I176 P246	L91-I167 HydrophobicContact CD2-CD1 3.99Å; Y164-I167 HydrophobicContact CD1-CD1 3.81Å; Y164-I167 HydrophobicContact CE1-CD1 4.45Å; Y164-I167 WeakPolarHBondContact O-CB 3.36Å; Y164-I167 VanDerWaalsContact O-CG1 3.3Å; Y164-I167 WeakPolarHBondContact O-CG1 3.25Å; Y164-I167 PolarHBondContact O-N 3.04Å; Y164-I167 VanDerWaalsContact O-N 3.14Å; L165-I167 PolarHBondContact O-N 3.15Å; L165-I167 VanDerWaalsContact O-N 3.13Å; I167-S172 WeakPolarHBondContact O-CB 3.42Å; I167-S172 PolarHBondContact O-OG 2.89Å; I167-S172 VanDerWaalsContact O-OG 3.07Å; I167-F174 HydrophobicContact CB-CE2 4.2Å; I167-F174 HydrophobicContact CG1-CE2 3.96Å; I167-F174 HydrophobicContact CG1-CZ 4.23Å; I167-F174 HydrophobicContact CG2-CD2 4.4Å; I167-F174 HydrophobicContact CG2-CE2 3.88Å; I167-I176 HydrophobicContact CG2-CG2 4.2Å; I167-P246 HydrophobicContact CD1-CB 3.98Å; I167-P246 HydrophobicContact CD1-CG 3.92Å; I167-P246 HydrophobicContact CG1-CB 4.02Å; I167-P246 HydrophobicContact CG1-CG 3.93Å
168	F	93.2	Very high	93.5	Very high	17 Å²	17	35.5 Å²	35.5	8%	0.075	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-96.5	7.6	-168.1	-55.5	-82.8	0	0	0	114.2	I90 L91 Y94 I120 F123 K124 L165 R166	I90-F168 HydrophobicContact CG2-CD2 4.29Å; I90-F168 HydrophobicContact CG2-CE2 3.46Å; I90-F168 VanDerWaalsContact CG2-CE2 3.46Å; I90-F168 HydrophobicContact CG2-CZ 4.14Å; L91-F168 HydrophobicContact CD2-CE2 4.25Å; L91-F168 HydrophobicContact CD2-CZ 3.95Å; Y94-F168 AromaticContact CD1-CE1 3.63Å; Y94-F168 HydrophobicContact CD1-CE1 3.63Å; Y94-F168 AromaticContact CD1-CZ 3.96Å; Y94-F168 HydrophobicContact CD1-CZ 3.96Å; Y94-F168 HydrophobicContact CD2-CE1 4.02Å; Y94-F168 AromaticContact CE1-CE1 3.75Å; Y94-F168 HydrophobicContact CE1-CE1 3.75Å; Y94-F168 HydrophobicContact CE1-CZ 4.45Å; Y94-F168 HydrophobicContact CE2-CE1 4.14Å; Y94-F168 AromaticContact CG-CE1 3.76Å; Y94-F168 HydrophobicContact CG-CE1 3.76Å; Y94-F168 HydrophobicContact CG-CZ 4.09Å; Y94-F168 AromaticContact CZ-CE1 3.99Å; I120-F168 HydrophobicContact CG2-CD1 3.83Å; I120-F168 HydrophobicContact CG2-CD2 4.18Å; I120-F168 HydrophobicContact CG2-CE1 3.97Å; I120-F168 HydrophobicContact CG2-CE2 4.35Å; I120-F168 HydrophobicContact CG2-CG 3.93Å; I120-F168 HydrophobicContact CG2-CZ 4.23Å; F123-F168 HydrophobicContact CD1-CB 4.02Å; F123-F168 HydrophobicContact CE1-CB 4.04Å; K124-F168 HydrophobicContact CG-CB 4.08Å; L165-F168 PolarHBondContact O-N 3.48Å; R166-F168 VanDerWaalsContact C-N 3.26Å
169	T	90.3	Very high	93.6	Very high	9 Å²	9	33.6 Å²	33.6	6%	0.055	18%	0.184	C	C	.	.	S	Bend	trans	-78.8	148.2	173.1	60.4	0	0	0	0	110.1	F123 D127 M129 R166 D171 S172	F123-T169 HydrophobicContact CE1-CG2 4.09Å; F123-T169 HydrophobicContact CZ-CG2 3.86Å; D127-T169 WeakPolarHBondContact OD1-CG2 3.42Å; M129-T169 HydrophobicContact CE-CG2 4.2Å; R166-T169 PolarHBondContact O-OG1 2.96Å; T169-D171 PolarHBondContact O-N 3.06Å; T169-S172 VanDerWaalsContact O-CB 3.31Å; T169-S172 WeakPolarHBondContact O-CB 3.42Å; T169-S172 PolarHBondContact O-N 3.02Å; T169-S172 VanDerWaalsContact O-N 3.13Å; T169-S172 PolarHBondContact O-OG 3.11Å; T169-S172 VanDerWaalsContact O-OG 3.13Å
170	A	84.9	Confident	93.8	Very high	100 Å²	100	36.1 Å²	36.1	83%	0.826	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-60	-31.5	179.5	0	0	0	0	0	112.7	S172	A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 3.22Å
171	D	87	Confident	93.8	Very high	108 Å²	108	38.9 Å²	38.9	58%	0.578	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-77.8	-12.3	-179.2	-64.2	-33.3	0	0	0	114.1	T169 G173 K195 F205	T169-D171 PolarHBondContact O-N 3.06Å; D171-G173 PolarHBondContact O-N 2.75Å; D171-G173 VanDerWaalsContact O-N 3.15Å; D171-K195 PolarHBondContact O-NZ 3.42Å; D171-F205 HydrophobicContact CB-CE2 3.95Å
172	S	91.7	Very high	93.8	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.042	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-50.9	-44.4	-174.6	74.4	0	0	0	0	111.8	R166 I167 T169 A170 F174 W197	R166-S172 WeakPolarHBondContact O-CB 3.29Å; I167-S172 WeakPolarHBondContact O-CB 3.42Å; I167-S172 PolarHBondContact O-OG 2.89Å; I167-S172 VanDerWaalsContact O-OG 3.07Å; T169-S172 VanDerWaalsContact O-CB 3.31Å; T169-S172 WeakPolarHBondContact O-CB 3.42Å; T169-S172 PolarHBondContact O-N 3.02Å; T169-S172 VanDerWaalsContact O-N 3.13Å; T169-S172 PolarHBondContact O-OG 3.11Å; T169-S172 VanDerWaalsContact O-OG 3.13Å; A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 3.22Å; S172-F174 VanDerWaalsContact O-CD1 3.27Å; S172-F174 WeakPolarHBondContact O-CD1 3.47Å; S172-F174 PolarHBondContact O-N 2.98Å; S172-F174 PolarHBondContact OG-N 2.82Å; S172-F174 PolarHBondContact OG-O 3.46Å; S172-W197 WeakPolarHBondContact O-CZ2 3.38Å
173	G	94.3	Very high	93.7	Very high	1 Å²	1	42 Å²	42	1%	0.01	24%	0.235	C	C	.	.			trans	71.8	11.7	-177.7	0	0	0	0	0	114.7	D171 T194 W197	D171-G173 PolarHBondContact O-N 2.75Å; D171-G173 VanDerWaalsContact O-N 3.15Å; G173-T194 WeakPolarHBondContact CA-OG1 3.37Å; G173-T194 PolarHBondContact O-N 3.4Å; G173-T194 PolarHBondContact O-OG1 3.32Å; G173-W197 PolarHBondContact O-NE1 2.97Å
174	F	96.6	Very high	93.4	Very high	1 Å²	1	46 Å²	46	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	160.4	172.3	68.3	-86.9	0	0	0	110.6	I167 S172 I191 V192 T194 I203 F205 L206 I282	I167-F174 HydrophobicContact CB-CE2 4.2Å; I167-F174 HydrophobicContact CG1-CE2 3.96Å; I167-F174 HydrophobicContact CG1-CZ 4.23Å; I167-F174 HydrophobicContact CG2-CD2 4.4Å; I167-F174 HydrophobicContact CG2-CE2 3.88Å; S172-F174 VanDerWaalsContact O-CD1 3.27Å; S172-F174 WeakPolarHBondContact O-CD1 3.47Å; S172-F174 PolarHBondContact O-N 2.98Å; S172-F174 PolarHBondContact OG-N 2.82Å; S172-F174 PolarHBondContact OG-O 3.46Å; F174-I191 HydrophobicContact CB-CG2 3.83Å; F174-I191 HydrophobicContact CD2-CD1 4.26Å; F174-I191 HydrophobicContact CD2-CG2 3.57Å; F174-I191 HydrophobicContact CE2-CD1 4.39Å; F174-I191 HydrophobicContact CE2-CG2 4.45Å; F174-I191 HydrophobicContact CG-CG2 3.94Å; F174-V192 CarbonylContact C-O 3.57Å; F174-V192 WeakPolarHBondContact CA-O 3.33Å; F174-V192 WeakPolarHBondContact CB-O 3.49Å; F174-T194 PolarHBondContact N-OG1 3.07Å; F174-I203 HydrophobicContact CD1-CG2 3.55Å; F174-I203 HydrophobicContact CE1-CG2 3.86Å; F174-F205 HydrophobicContact CE1-CB 3.99Å; F174-L206 HydrophobicContact CD1-CB 4.09Å; F174-L206 HydrophobicContact CD1-CD2 4.47Å; F174-L206 HydrophobicContact CD2-CD1 4.36Å; F174-L206 HydrophobicContact CE1-CB 3.6Å; F174-L206 HydrophobicContact CE1-CG 4.48Å; F174-L206 HydrophobicContact CE2-CB 4.44Å; F174-L206 HydrophobicContact CE2-CD1 3.87Å; F174-L206 HydrophobicContact CG-CD2 4.45Å; F174-L206 HydrophobicContact CZ-CB 3.79Å; F174-L206 HydrophobicContact CZ-CD1 3.98Å; F174-L206 HydrophobicContact CZ-CG 4.38Å; F174-I282 HydrophobicContact CB-CD1 3.88Å
175	E	95.9	Very high	93	Very high	70 Å²	70	48.7 Å²	48.7	33%	0.327	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	167	170.7	65.8	-177.7	147.1	0	0	110.7	L177 I191 V192 T194	E175-L177 HydrophobicContact CG-CD1 4.32Å; E175-L177 HydrophobicContact CG-CD2 4.41Å; E175-L177 HydrophobicContact CG-CG 4.08Å; E175-I191 WeakPolarHBondContact O-CA 3.39Å; E175-V192 PolarHBondContact N-O 3.5Å; E175-V192 PolarHBondContact O-N 3.31Å; E175-T194 HydrophobicContact CB-CG2 3.78Å; E175-T194 HydrophobicContact CG-CG2 3.62Å
176	I	96.4	Very high	92.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.9	173.8	-172.5	172.9	0	0	0	109.8	L91 Y94 L95 I167 A189 K190 I191 F249	L91-I176 HydrophobicContact CD1-CD1 3.67Å; L91-I176 HydrophobicContact CD2-CD1 4.25Å; L91-I176 HydrophobicContact CD2-CG2 3.92Å; Y94-I176 HydrophobicContact CD1-CG2 4.29Å; Y94-I176 HydrophobicContact CE1-CG2 4.27Å; L95-I176 HydrophobicContact CD1-CD1 4.21Å; L95-I176 HydrophobicContact CD1-CG1 4.38Å; I167-I176 HydrophobicContact CG2-CG2 4.2Å; I176-A189 HydrophobicContact CD1-CB 4.08Å; I176-A189 HydrophobicContact CG1-CB 4.11Å; I176-K190 WeakPolarHBondContact CA-O 3.43Å; I176-I191 HydrophobicContact CB-CD1 3.86Å; I176-I191 HydrophobicContact CD1-CD1 4.36Å; I176-I191 HydrophobicContact CG1-CD1 4.03Å; I176-F249 HydrophobicContact CD1-CB 4.16Å; I176-F249 HydrophobicContact CD1-CD1 3.92Å; I176-F249 HydrophobicContact CD1-CD2 3.96Å; I176-F249 HydrophobicContact CD1-CE1 4.27Å; I176-F249 HydrophobicContact CD1-CE2 4.33Å; I176-F249 HydrophobicContact CD1-CG 3.73Å; I176-F249 HydrophobicContact CD1-CZ 4.47Å
177	L	96.1	Very high	92.5	Very high	57 Å²	57	56.2 Å²	56.2	30%	0.298	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	159.8	-177.4	-65.6	177.6	0	0	0	111.2	E175 A189 K190 V192	E175-L177 HydrophobicContact CG-CD1 4.32Å; E175-L177 HydrophobicContact CG-CD2 4.41Å; E175-L177 HydrophobicContact CG-CG 4.08Å; L177-A189 CarbonylContact O-C 3.54Å; L177-A189 VanDerWaalsContact O-CA 3.29Å; L177-A189 WeakPolarHBondContact O-CA 3.3Å; L177-K190 HydrophobicContact CB-CG 4.47Å; L177-K190 PolarHBondContact N-O 3.35Å; L177-K190 PolarHBondContact O-N 3.08Å; L177-V192 HydrophobicContact CD1-CB 4.24Å; L177-V192 HydrophobicContact CD1-CG2 4.02Å
178	P	96.9	Very high	92.5	Very high	66 Å²	66	56.1 Å²	56.1	43%	0.429	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	146.9	174.7	-21.6	33.7	0	0	0	112.9	L95 F97	L95-P178 HydrophobicContact CD2-CG 4.42Å; F97-P178 HydrophobicContact CE1-CB 3.82Å; F97-P178 HydrophobicContact CE1-CG 3.86Å; F97-P178 HydrophobicContact CZ-CB 4.06Å; F97-P178 HydrophobicContact CZ-CG 4.35Å
179	C	95.8	Very high	92.7	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.034	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.9	174.4	-167.9	0	0	0	0	110.3	G188 K190	C179-G188 PolarHBondContact N-O 2.84Å; C179-G188 CarbonylContact O-C 3.37Å; C179-G188 VanDerWaalsContact O-C 3.31Å; C179-G188 WeakPolarHBondContact O-CA 3.18Å; C179-G188 PolarHBondContact O-N 2.96Å; C179-K190 HydrophobicContact CB-CB 4.03Å; C179-K190 HydrophobicContact CB-CD 4.39Å; C179-K190 HydrophobicContact CB-CG 4.07Å
180	N	95.4	Very high	93	Very high	151 Å²	151	57.1 Å²	57.1	81%	0.807	32%	0.323	S	S	*	.			trans	-120.6	30.7	177	-61.2	-28.1	0	0	0	110.7
181	R	94.7	Very high	93.6	Very high	59 Å²	59	52.3 Å²	52.3	22%	0.223	28%	0.284	C	S	.	.			trans	-88.2	-42.2	-174.6	178	174.3	175.3	91.9	1.6	113.1	E299 C300 Y301 E304	R181-E299 PolarHBondContact NE-O 2.94Å; R181-E299 PolarHBondContact NH2-O 2.9Å; R181-C300 VanDerWaalsContact NH2-C 3.34Å; R181-C300 PolarHBondContact NH2-O 3.37Å; R181-Y301 VanDerWaalsContact NH1-CD1 3.31Å; R181-E304 IonicContact CZ-OE2 2.67Å; R181-E304 IonicContact NH1-OE2 3.67Å; R181-E304 PolarHBondContact NH1-OE2 2.89Å; R181-E304 IonicContact NH2-OE2 3.44Å; R181-E304 PolarHBondContact NH2-OE2 3.49Å
182	Y	94.8	Very high	94.1	Very high	20 Å²	20	47.6 Å²	47.6	8%	0.078	26%	0.258	C	S	.	.			trans	-92.6	132.6	-165.8	-56.7	-78.8	0	0	0	110.8	S184 E185 N251 E299	Y182-S184 VanDerWaalsContact C-N 3.32Å; Y182-S184 PolarHBondContact O-N 3.35Å; Y182-E185 WeakPolarHBondContact CD2-OE1 3.48Å; Y182-N251 HydrophobicContact CE2-CB 4.11Å; Y182-E299 VanDerWaalsContact CA-OE2 3.25Å; Y182-E299 WeakPolarHBondContact CA-OE2 3.37Å; Y182-E299 HydrophobicContact CD1-CB 3.91Å; Y182-E299 HydrophobicContact CE1-CB 4.32Å
183	S	91.9	Very high	94.3	Very high	91 Å²	91	47.3 Å²	47.3	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.3	-171.9	68.7	0	0	0	0	113.8	E299	S183-E299 VanDerWaalsContact CB-OE1 3.27Å; S183-E299 WeakPolarHBondContact CB-OE1 3.49Å; S183-E299 PolarHBondContact N-OE2 2.9Å; S183-E299 PolarHBondContact OG-OE1 3.45Å; S183-E299 PolarHBondContact OG-OE2 2.95Å
184	S	87.4	Confident	94.4	Very high	104 Å²	104	50.3 Å²	50.3	73%	0.727	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.6	-179.1	58.4	0	0	0	0	114.4	Y182	Y182-S184 VanDerWaalsContact C-N 3.32Å; Y182-S184 PolarHBondContact O-N 3.35Å
185	E	88.9	Confident	94.4	Very high	58 Å²	58	54.1 Å²	54.1	27%	0.271	29%	0.291	S	S	.	.			trans	-115.3	160.1	178.8	70.2	179.3	177.4	0	0	111.5	Y182 G188	Y182-E185 WeakPolarHBondContact CD2-OE1 3.48Å; E185-G188 VanDerWaalsContact CD-CA 3.42Å; E185-G188 WeakPolarHBondContact OE1-CA 3.2Å; E185-G188 WeakPolarHBondContact OE2-CA 3.41Å
186	Q	86.9	Confident	94.4	Very high	170 Å²	170	55.7 Å²	55.7	79%	0.794	30%	0.299	S	S	*	.	S	Bend	trans	-133.4	147.6	165	-65	-68.5	-77.5	0	0	106.6	G188	Q186-G188 VanDerWaalsContact C-N 3.28Å; Q186-G188 PolarHBondContact O-N 3.19Å
187	N	90.2	Very high	94.4	Very high	82 Å²	82	56.6 Å²	56.6	44%	0.439	30%	0.302	S	S	.	.	S	Bend	trans	56.8	40.1	-168.5	-56.7	-14	0	0	0	113.1	F97 Q98	F97-N187 HydrophobicContact CD2-CB 3.62Å; F97-N187 HydrophobicContact CE2-CB 4.05Å; F97-N187 VanDerWaalsContact CE2-O 3.28Å; F97-N187 WeakPolarHBondContact CE2-O 3.22Å; F97-N187 HydrophobicContact CG-CB 4.26Å; Q98-N187 WeakPolarHBondContact O-CB 2.96Å; Q98-N187 PolarHBondContact O-ND2 3.11Å
188	G	93.3	Very high	94.5	Very high	3 Å²	3	58.2 Å²	58.2	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	159.2	175.7	0	0	0	0	0	112.5	F97 C179 E185 Q186	F97-G188 WeakPolarHBondContact CZ-O 3.44Å; C179-G188 PolarHBondContact N-O 2.84Å; C179-G188 CarbonylContact O-C 3.37Å; C179-G188 VanDerWaalsContact O-C 3.31Å; C179-G188 WeakPolarHBondContact O-CA 3.18Å; C179-G188 PolarHBondContact O-N 2.96Å; E185-G188 VanDerWaalsContact CD-CA 3.42Å; E185-G188 WeakPolarHBondContact OE1-CA 3.2Å; E185-G188 WeakPolarHBondContact OE2-CA 3.41Å; Q186-G188 VanDerWaalsContact C-N 3.28Å; Q186-G188 PolarHBondContact O-N 3.19Å
189	A	96.4	Very high	94.5	Very high	5 Å²	5	63.1 Å²	63.1	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.7	174.7	0	0	0	0	0	110.6	L95 I176 L177 F249	L95-A189 HydrophobicContact CD1-CB 4.2Å; I176-A189 HydrophobicContact CD1-CB 4.08Å; I176-A189 HydrophobicContact CG1-CB 4.11Å; L177-A189 CarbonylContact O-C 3.54Å; L177-A189 VanDerWaalsContact O-CA 3.29Å; L177-A189 WeakPolarHBondContact O-CA 3.3Å; A189-F249 HydrophobicContact CB-CD1 3.81Å; A189-F249 HydrophobicContact CB-CE1 4.14Å
190	K	96.6	Very high	94.5	Very high	41 Å²	41	67.2 Å²	67.2	18%	0.178	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.5	-175.4	63.6	170.4	179.6	-179.1	0	112.7	I176 L177 C179 V192 N251 E281	I176-K190 WeakPolarHBondContact CA-O 3.43Å; L177-K190 HydrophobicContact CB-CG 4.47Å; L177-K190 PolarHBondContact N-O 3.35Å; L177-K190 PolarHBondContact O-N 3.08Å; C179-K190 HydrophobicContact CB-CB 4.03Å; C179-K190 HydrophobicContact CB-CD 4.39Å; C179-K190 HydrophobicContact CB-CG 4.07Å; K190-V192 HydrophobicContact CD-CG2 4.24Å; K190-V192 HydrophobicContact CG-CG2 4.26Å; K190-N251 WeakPolarHBondContact CB-ND2 3.42Å; K190-E281 HydrophobicContact CD-CG 4.02Å; K190-E281 WeakPolarHBondContact CD-OE2 3.45Å; K190-E281 IonicContact NZ-OE2 3.06Å; K190-E281 PolarHBondContact NZ-OE2 2.84Å
191	I	97.8	Very high	94.6	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.9	174.4	-57.1	-58.9	0	0	0	110.9	F174 E175 I176 L206 F249 I250 I282	F174-I191 HydrophobicContact CB-CG2 3.83Å; F174-I191 HydrophobicContact CD2-CD1 4.26Å; F174-I191 HydrophobicContact CD2-CG2 3.57Å; F174-I191 HydrophobicContact CE2-CD1 4.39Å; F174-I191 HydrophobicContact CE2-CG2 4.45Å; F174-I191 HydrophobicContact CG-CG2 3.94Å; E175-I191 WeakPolarHBondContact O-CA 3.39Å; I176-I191 HydrophobicContact CB-CD1 3.86Å; I176-I191 HydrophobicContact CD1-CD1 4.36Å; I176-I191 HydrophobicContact CG1-CD1 4.03Å; I191-L206 HydrophobicContact CG1-CD1 4.21Å; I191-L206 HydrophobicContact CG2-CD1 4.36Å; I191-L206 HydrophobicContact CG2-CD2 3.86Å; I191-F249 HydrophobicContact CD1-CB 3.95Å; I191-F249 HydrophobicContact CG1-CB 3.92Å; I191-F249 PolarHBondContact N-O 2.8Å; I191-I250 HydrophobicContact CB-CG1 4.39Å; I191-I250 HydrophobicContact CG1-CG1 4.06Å; I191-I282 HydrophobicContact CB-CB 4.43Å; I191-I282 HydrophobicContact CG2-CB 4.11Å; I191-I282 HydrophobicContact CG2-CD1 3.92Å; I191-I282 PolarHBondContact O-N 2.86Å
192	V	97.4	Very high	94.6	Very high	8 Å²	8	65.5 Å²	65.5	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139	-179.7	178	0	0	0	0	109.8	F174 E175 L177 K190	F174-V192 CarbonylContact C-O 3.57Å; F174-V192 WeakPolarHBondContact CA-O 3.33Å; F174-V192 WeakPolarHBondContact CB-O 3.49Å; E175-V192 PolarHBondContact N-O 3.5Å; E175-V192 PolarHBondContact O-N 3.31Å; L177-V192 HydrophobicContact CD1-CB 4.24Å; L177-V192 HydrophobicContact CD1-CG2 4.02Å; K190-V192 HydrophobicContact CD-CG2 4.24Å; K190-V192 HydrophobicContact CG-CG2 4.26Å
193	A	97.5	Very high	94.7	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.6	178.9	0	0	0	0	0	111.8	I276 P278 G279 E280 I282	A193-I276 HydrophobicContact CB-CG2 3.76Å; A193-P278 WeakPolarHBondContact O-CA 3.47Å; A193-G279 PolarHBondContact O-N 3.46Å; A193-E280 PolarHBondContact N-O 3.2Å; A193-I282 HydrophobicContact CB-CD1 4.05Å; A193-I282 HydrophobicContact CB-CG1 4.28Å
194	T	96.1	Very high	94.7	Very high	64 Å²	64	66 Å²	66	39%	0.393	32%	0.321	S	S	.	.	S	Bend	trans	-97.9	-14.3	175.9	56.1	0	0	0	0	113.1	G173 F174 E175	G173-T194 WeakPolarHBondContact CA-OG1 3.37Å; G173-T194 PolarHBondContact O-N 3.4Å; G173-T194 PolarHBondContact O-OG1 3.32Å; F174-T194 PolarHBondContact N-OG1 3.07Å; E175-T194 HydrophobicContact CB-CG2 3.78Å; E175-T194 HydrophobicContact CG-CG2 3.62Å
195	K	95.3	Very high	95	Very high	81 Å²	81	64 Å²	64	35%	0.352	30%	0.299	S	S	.	.	S	Bend	trans	-127.6	162.9	172.2	73.2	-167.7	-176.7	-161.2	0	110.9	D171 W197	D171-K195 PolarHBondContact O-NZ 3.42Å; K195-W197 HydrophobicContact CD-CZ2 4.41Å; K195-W197 VanDerWaalsContact CE-CH2 3.43Å; K195-W197 HydrophobicContact CG-CZ2 4.41Å; K195-W197 VanDerWaalsContact O-CD1 3.27Å
196	E	96.5	Very high	95.3	Very high	103 Å²	103	61.2 Å²	61.2	48%	0.481	29%	0.286	S	S	.	.			trans	-69.9	134.1	172.6	-162.2	-167	-174.4	0	0	109.5	K198 I276	E196-K198 IonicContact OE1-NZ 2.59Å; E196-K198 PolarHBondContact OE1-NZ 3.27Å; E196-K198 WeakPolarHBondContact OE2-CE 3.42Å; E196-K198 IonicContact OE2-NZ 2.7Å; E196-K198 PolarHBondContact OE2-NZ 3.47Å; E196-I276 WeakPolarHBondContact CA-O 3.45Å; E196-I276 WeakPolarHBondContact CG-O 3.41Å
197	W	97.4	Very high	95.6	Very high	19 Å²	19	54 Å²	54	7%	0.072	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-118.7	143.1	172.9	-62.3	90.7	0	0	0	110.4	S172 G173 K195 D201 K202 I203 V272 D275 I276	S172-W197 WeakPolarHBondContact O-CZ2 3.38Å; G173-W197 PolarHBondContact O-NE1 2.97Å; K195-W197 HydrophobicContact CD-CZ2 4.41Å; K195-W197 VanDerWaalsContact CE-CH2 3.43Å; K195-W197 HydrophobicContact CG-CZ2 4.41Å; K195-W197 VanDerWaalsContact O-CD1 3.27Å; W197-D201 HydrophobicContact CE3-CB 3.82Å; W197-D201 HydrophobicContact CZ3-CB 4.43Å; W197-K202 WeakPolarHBondContact CZ3-O 3.43Å; W197-I203 HydrophobicContact CD2-CD1 4.2Å; W197-I203 HydrophobicContact CD2-CG1 4.01Å; W197-I203 HydrophobicContact CE3-CG1 4.11Å; W197-I203 HydrophobicContact CG-CD1 4.49Å; W197-I203 HydrophobicContact CH2-CB 4.05Å; W197-I203 HydrophobicContact CH2-CG1 3.86Å; W197-I203 HydrophobicContact CH2-CG2 3.87Å; W197-I203 HydrophobicContact CZ2-CB 4.13Å; W197-I203 HydrophobicContact CZ2-CD1 4.13Å; W197-I203 HydrophobicContact CZ2-CG1 3.77Å; W197-I203 HydrophobicContact CZ2-CG2 3.65Å; W197-I203 HydrophobicContact CZ3-CG1 4.04Å; W197-V272 HydrophobicContact CB-CG2 4.07Å; W197-D275 WeakPolarHBondContact O-CA 3.43Å; W197-I276 HydrophobicContact CB-CB 4.25Å; W197-I276 PolarHBondContact N-O 3.24Å; W197-I276 PolarHBondContact O-N 2.76Å
198	K	97.4	Very high	95.8	Very high	92 Å²	92	50.2 Å²	50.2	40%	0.4	23%	0.234	S	C	.	.			trans	-98.8	155.1	179.9	-55.3	-59.6	175.4	177.9	0	111.7	E196 N200 D201 V272	E196-K198 IonicContact OE1-NZ 2.59Å; E196-K198 PolarHBondContact OE1-NZ 3.27Å; E196-K198 WeakPolarHBondContact OE2-CE 3.42Å; E196-K198 IonicContact OE2-NZ 2.7Å; E196-K198 PolarHBondContact OE2-NZ 3.47Å; K198-N200 PolarHBondContact O-N 3.19Å; K198-D201 PolarHBondContact N-OD2 3.44Å; K198-D201 WeakPolarHBondContact O-CB 3.44Å; K198-D201 PolarHBondContact O-N 2.97Å; K198-V272 WeakPolarHBondContact O-CB 3.25Å; K198-V272 VanDerWaalsContact O-CG1 3.27Å; K198-V272 WeakPolarHBondContact O-CG1 3.28Å
199	R	96.8	Very high	95.8	Very high	169 Å²	169	50.7 Å²	50.7	64%	0.638	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	125.3	172.6	179.6	168.7	-170.1	-145	-3	111.5	L273 D275	R199-L273 VanDerWaalsContact CD-O 3.25Å; R199-L273 WeakPolarHBondContact CD-O 3.47Å; R199-L273 VanDerWaalsContact CG-O 3.28Å; R199-L273 WeakPolarHBondContact CG-O 3.34Å; R199-L273 PolarHBondContact NE-O 2.81Å; R199-D275 PolarHBondContact N-OD1 3.05Å
200	N	96.3	Very high	95.6	Very high	91 Å²	91	51.1 Å²	51.1	49%	0.487	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-5.2	-174.1	-61.3	-73.6	0	0	0	117.9	K198 K271 V272	K198-N200 PolarHBondContact O-N 3.19Å; N200-K271 VanDerWaalsContact CA-CE 3.42Å; N200-K271 VanDerWaalsContact O-CE 3.22Å; N200-K271 WeakPolarHBondContact O-CE 3.24Å; N200-K271 WeakPolarHBondContact OD1-CE 3.29Å; N200-K271 PolarHBondContact OD1-NZ 2.98Å; N200-V272 WeakPolarHBondContact CA-O 3.48Å; N200-V272 PolarHBondContact N-O 2.83Å
201	D	96.9	Very high	95.4	Very high	61 Å²	61	49.3 Å²	49.3	33%	0.326	23%	0.231	S	C	.	.			trans	-60.7	154.6	174.8	-66.6	-6.5	0	0	0	111.7	W197 K198 K271 V272	W197-D201 HydrophobicContact CE3-CB 3.82Å; W197-D201 HydrophobicContact CZ3-CB 4.43Å; K198-D201 PolarHBondContact N-OD2 3.44Å; K198-D201 WeakPolarHBondContact O-CB 3.44Å; K198-D201 PolarHBondContact O-N 2.97Å; D201-K271 CarbonylContact O-C 3.58Å; D201-K271 VanDerWaalsContact O-CA 3.32Å; D201-K271 WeakPolarHBondContact O-CA 3.28Å; D201-V272 HydrophobicContact CB-CB 4.39Å; D201-V272 HydrophobicContact CB-CG2 4.18Å; D201-V272 PolarHBondContact O-N 2.67Å
202	K	95.8	Very high	95	Very high	113 Å²	113	51.7 Å²	51.7	49%	0.491	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.9	170.5	-63.7	180	-171.3	169	0	109.8	W197 E204 V270	W197-K202 WeakPolarHBondContact CZ3-O 3.43Å; K202-E204 HydrophobicContact CB-CG 3.81Å; K202-E204 PolarHBondContact O-N 2.93Å; K202-V270 WeakPolarHBondContact CA-O 3.19Å
203	I	95.8	Very high	94.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	78.6	171.6	-48.2	-173.4	0	0	0	107.5	F174 W197 F205 L206 V270 V272 I282	F174-I203 HydrophobicContact CD1-CG2 3.55Å; F174-I203 HydrophobicContact CE1-CG2 3.86Å; W197-I203 HydrophobicContact CD2-CD1 4.2Å; W197-I203 HydrophobicContact CD2-CG1 4.01Å; W197-I203 HydrophobicContact CE3-CG1 4.11Å; W197-I203 HydrophobicContact CG-CD1 4.49Å; W197-I203 HydrophobicContact CH2-CB 4.05Å; W197-I203 HydrophobicContact CH2-CG1 3.86Å; W197-I203 HydrophobicContact CH2-CG2 3.87Å; W197-I203 HydrophobicContact CZ2-CB 4.13Å; W197-I203 HydrophobicContact CZ2-CD1 4.13Å; W197-I203 HydrophobicContact CZ2-CG1 3.77Å; W197-I203 HydrophobicContact CZ2-CG2 3.65Å; W197-I203 HydrophobicContact CZ3-CG1 4.04Å; I203-F205 VanDerWaalsContact C-N 3.25Å; I203-F205 PolarHBondContact O-N 3.07Å; I203-L206 HydrophobicContact CB-CB 3.98Å; I203-L206 HydrophobicContact CB-CD2 4.47Å; I203-L206 HydrophobicContact CD1-CD2 4.39Å; I203-L206 HydrophobicContact CG2-CB 3.42Å; I203-L206 VanDerWaalsContact CG2-CB 3.42Å; I203-L206 HydrophobicContact CG2-CD2 4.08Å; I203-L206 HydrophobicContact CG2-CG 4.42Å; I203-L206 PolarHBondContact O-N 2.9Å; I203-V270 HydrophobicContact CB-CG2 3.8Å; I203-V270 HydrophobicContact CD1-CG2 3.94Å; I203-V270 HydrophobicContact CG1-CG2 3.97Å; I203-V270 PolarHBondContact N-O 3.13Å; I203-V272 HydrophobicContact CD1-CG2 4.28Å; I203-V272 HydrophobicContact CG1-CG2 4.18Å; I203-I282 HydrophobicContact CD1-CD1 3.59Å; I203-I282 HydrophobicContact CD1-CG1 4.33Å
204	E	92.6	Very high	94.3	Very high	121 Å²	121	54 Å²	54	57%	0.565	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	-24	-166.8	-57	-159	147	0	0	114.5	K202 V207	K202-E204 HydrophobicContact CB-CG 3.81Å; K202-E204 PolarHBondContact O-N 2.93Å; E204-V207 VanDerWaalsContact O-CG2 3.23Å; E204-V207 WeakPolarHBondContact O-CG2 3.27Å
205	F	93.5	Very high	93.9	Very high	61 Å²	61	58.2 Å²	58.2	27%	0.268	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-15.6	174.6	-63.4	-59.8	0	0	0	113.6	R166 D171 F174 I203 V207	R166-F205 HydrophobicContact CB-CB 4.36Å; R166-F205 HydrophobicContact CB-CD1 3.97Å; R166-F205 HydrophobicContact CB-CG 4.48Å; R166-F205 HydrophobicContact CG-CD1 3.96Å; R166-F205 HydrophobicContact CG-CE1 4.34Å; D171-F205 HydrophobicContact CB-CE2 3.95Å; F174-F205 HydrophobicContact CE1-CB 3.99Å; I203-F205 VanDerWaalsContact C-N 3.25Å; I203-F205 PolarHBondContact O-N 3.07Å; F205-V207 VanDerWaalsContact C-N 3.31Å; F205-V207 PolarHBondContact O-N 3.35Å; F205-V207 VanDerWaalsContact O-N 3.08Å
206	L	95.4	Very high	93.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	72.3	178.1	-176.2	47.3	0	0	0	109.8	F174 I191 I203 P246 A247 I250 C269 V270 I282	F174-L206 HydrophobicContact CD1-CB 4.09Å; F174-L206 HydrophobicContact CD1-CD2 4.47Å; F174-L206 HydrophobicContact CD2-CD1 4.36Å; F174-L206 HydrophobicContact CE1-CB 3.6Å; F174-L206 HydrophobicContact CE1-CG 4.48Å; F174-L206 HydrophobicContact CE2-CB 4.44Å; F174-L206 HydrophobicContact CE2-CD1 3.87Å; F174-L206 HydrophobicContact CG-CD2 4.45Å; F174-L206 HydrophobicContact CZ-CB 3.79Å; F174-L206 HydrophobicContact CZ-CD1 3.98Å; F174-L206 HydrophobicContact CZ-CG 4.38Å; I191-L206 HydrophobicContact CG1-CD1 4.21Å; I191-L206 HydrophobicContact CG2-CD1 4.36Å; I191-L206 HydrophobicContact CG2-CD2 3.86Å; I203-L206 HydrophobicContact CB-CB 3.98Å; I203-L206 HydrophobicContact CB-CD2 4.47Å; I203-L206 HydrophobicContact CD1-CD2 4.39Å; I203-L206 HydrophobicContact CG2-CB 3.42Å; I203-L206 VanDerWaalsContact CG2-CB 3.42Å; I203-L206 HydrophobicContact CG2-CD2 4.08Å; I203-L206 HydrophobicContact CG2-CG 4.42Å; I203-L206 PolarHBondContact O-N 2.9Å; L206-P246 HydrophobicContact CD1-CB 4.02Å; L206-A247 HydrophobicContact CD1-CB 4.34Å; L206-I250 HydrophobicContact CD1-CD1 3.94Å; L206-I250 HydrophobicContact CD1-CG1 4.15Å; L206-I250 HydrophobicContact CD2-CD1 3.63Å; L206-I250 HydrophobicContact CD2-CG1 4.14Å; L206-I250 HydrophobicContact CG-CD1 3.68Å; L206-I250 HydrophobicContact CG-CG1 4.36Å; L206-C269 WeakPolarHBondContact O-CA 3.48Å; L206-V270 HydrophobicContact CB-CG2 4.41Å; L206-V270 HydrophobicContact CD2-CG2 3.75Å; L206-V270 HydrophobicContact CG-CG2 4.14Å; L206-I282 HydrophobicContact CD2-CD1 4.3Å; L206-I282 HydrophobicContact CD2-CG2 4.03Å
207	V	93.5	Very high	93.1	Very high	20 Å²	20	55.4 Å²	55.4	12%	0.121	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	140.9	-171.7	-179.2	0	0	0	0	111.8	V163 E204 F205 P246 A247 A268	V163-V207 HydrophobicContact CG1-CB 3.97Å; V163-V207 HydrophobicContact CG1-CG1 4.37Å; E204-V207 VanDerWaalsContact O-CG2 3.23Å; E204-V207 WeakPolarHBondContact O-CG2 3.27Å; F205-V207 VanDerWaalsContact C-N 3.31Å; F205-V207 PolarHBondContact O-N 3.35Å; F205-V207 VanDerWaalsContact O-N 3.08Å; V207-P246 VanDerWaalsContact O-CD 3.29Å; V207-P246 WeakPolarHBondContact O-CD 3.34Å; V207-A247 VanDerWaalsContact C-CB 3.47Å; V207-A247 WeakPolarHBondContact O-CB 3.29Å; V207-A247 PolarHBondContact O-N 2.9Å; V207-A268 CarbonylContact C-O 3.55Å; V207-A268 VanDerWaalsContact CA-O 3.31Å; V207-A268 WeakPolarHBondContact CA-O 3.36Å
208	G	93.6	Very high	92.6	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.9	161.2	0	0	0	0	0	110.5	L244 T267 A268	G208-L244 CarbonylContact C-O 3.52Å; G208-L244 WeakPolarHBondContact CA-O 3.02Å; G208-T267 WeakPolarHBondContact O-CA 3.18Å; G208-A268 PolarHBondContact N-O 3.4Å; G208-A268 PolarHBondContact O-N 2.85Å
209	C	93.4	Very high	92.2	Very high	13 Å²	13	59.2 Å²	59.2	9%	0.088	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.4	167.3	-67.7	0	0	0	0	108.6	L79 W243 L244	L79-C209 HydrophobicContact CD1-CB 3.72Å; L79-C209 HydrophobicContact CD2-CB 4.36Å; C209-W243 WeakPolarHBondContact O-CA 3.39Å; C209-L244 PolarHBondContact N-O 3.31Å; C209-L244 PolarHBondContact O-N 2.74Å
210	I	92.5	Very high	91.7	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.077	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.5	-170.3	-48.2	171	0	0	0	109.7	Q241 L242 W243 D266 A268	I210-Q241 HydrophobicContact CG2-CB 4.04Å; I210-L242 WeakPolarHBondContact CA-O 3.32Å; I210-W243 HydrophobicContact CD1-CD2 4.11Å; I210-W243 HydrophobicContact CD1-CE3 4.09Å; I210-W243 HydrophobicContact CD1-CH2 3.62Å; I210-W243 HydrophobicContact CD1-CZ2 3.63Å; I210-W243 HydrophobicContact CD1-CZ3 3.87Å; I210-W243 HydrophobicContact CG1-CD2 3.81Å; I210-W243 HydrophobicContact CG1-CE3 3.96Å; I210-W243 HydrophobicContact CG1-CG 4.35Å; I210-W243 HydrophobicContact CG1-CH2 4.38Å; I210-W243 HydrophobicContact CG1-CZ2 4.24Å; I210-W243 HydrophobicContact CG1-CZ3 4.25Å; I210-D266 PolarHBondContact N-O 2.89Å; I210-A268 HydrophobicContact CD1-CB 3.96Å
211	A	91.8	Very high	91.2	Very high	3 Å²	3	55 Å²	55	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.5	163.9	0	0	0	0	0	110	A76 L79 Q241 L242	A76-A211 HydrophobicContact CB-CB 3.83Å; L79-A211 HydrophobicContact CD2-CB 3.77Å; A211-Q241 CarbonylContact O-C 3.59Å; A211-Q241 WeakPolarHBondContact O-CA 3.19Å; A211-L242 PolarHBondContact N-O 2.95Å; A211-L242 PolarHBondContact O-N 2.88Å
212	E	90.4	Very high	90.8	Very high	49 Å²	49	53.1 Å²	53.1	23%	0.229	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	134.1	164.7	-71.3	175.1	-141.4	0	0	108.3	Y68 K237 Q241	Y68-E212 HydrophobicContact CE1-CB 4.46Å; Y68-E212 PolarHBondContact OH-OE1 2.67Å; E212-K237 HydrophobicContact CG-CD 4.34Å; E212-K237 WeakPolarHBondContact OE1-CE 3.26Å; E212-K237 IonicContact OE1-NZ 3.4Å; E212-K237 PolarHBondContact OE1-NZ 3.39Å; E212-Q241 HydrophobicContact CG-CG 4.27Å
213	L	89.8	Confident	90.3	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-100	129.5	176	-66.4	172.7	0	0	0	109.3	A76 E217 E218 L221 L222 A240 L242	A76-L213 HydrophobicContact CB-CD2 3.56Å; L213-E217 HydrophobicContact CD2-CB 4.02Å; L213-E218 HydrophobicContact CB-CB 4.46Å; L213-L221 HydrophobicContact CD2-CD1 4.13Å; L213-L222 HydrophobicContact CD1-CD1 3.82Å; L213-L222 HydrophobicContact CD1-CG 4.35Å; L213-A240 HydrophobicContact CB-CB 4.21Å; L213-A240 HydrophobicContact CD1-CB 4.14Å; L213-A240 PolarHBondContact N-O 3.31Å; L213-L242 HydrophobicContact CD1-CB 4.18Å; L213-L242 HydrophobicContact CG-CB 4.28Å
214	S	89.5	Confident	89.8	Confident	51 Å²	51	59.9 Å²	59.9	36%	0.357	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-74.6	158.4	158.2	62.8	0	0	0	0	110.8	S216 E217 E218	S214-S216 PolarHBondContact O-N 2.96Å; S214-S216 VanDerWaalsContact O-N 3.13Å; S214-S216 PolarHBondContact OG-OG 3.12Å; S214-E217 WeakPolarHBondContact CB-OE2 3.42Å; S214-E217 PolarHBondContact N-OE2 3.14Å; S214-E217 PolarHBondContact O-N 3.48Å; S214-E217 WeakPolarHBondContact OG-CG 3.4Å; S214-E217 PolarHBondContact OG-N 3.44Å; S214-E217 PolarHBondContact OG-OE2 3.24Å; S214-E218 WeakPolarHBondContact O-CB 3.19Å; S214-E218 PolarHBondContact O-N 2.74Å
215	E	87.3	Confident	89.3	Confident	154 Å²	154	57.4 Å²	57.4	72%	0.72	31%	0.307	S	S	*	.	H	α-helix	trans	-54.7	-31.5	176.8	-176	-179.2	-179.3	0	0	112.4	N219	E215-N219 WeakPolarHBondContact O-CB 3.34Å; E215-N219 PolarHBondContact O-N 3.08Å; E215-N219 PolarHBondContact O-ND2 3.49Å
216	S	88	Confident	88.9	Confident	71 Å²	71	59.7 Å²	59.7	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-75.5	-38.7	175.7	63.5	0	0	0	0	112.6	S214 M220	S214-S216 PolarHBondContact O-N 2.96Å; S214-S216 VanDerWaalsContact O-N 3.13Å; S214-S216 PolarHBondContact OG-OG 3.12Å; S216-M220 WeakPolarHBondContact O-CB 3.35Å; S216-M220 VanDerWaalsContact O-CE 3.31Å; S216-M220 WeakPolarHBondContact O-CE 3.39Å; S216-M220 VanDerWaalsContact O-CG 3.23Å; S216-M220 WeakPolarHBondContact O-CG 3.5Å; S216-M220 PolarHBondContact O-N 3.12Å
217	E	88.6	Confident	88.5	Confident	54 Å²	54	59.7 Å²	59.7	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-68.9	-39.4	174.8	-71.9	165.8	115.8	0	0	112.1	L213 S214 M220 L221	L213-E217 HydrophobicContact CD2-CB 4.02Å; S214-E217 WeakPolarHBondContact CB-OE2 3.42Å; S214-E217 PolarHBondContact N-OE2 3.14Å; S214-E217 PolarHBondContact O-N 3.48Å; S214-E217 WeakPolarHBondContact OG-CG 3.4Å; S214-E217 PolarHBondContact OG-N 3.44Å; S214-E217 PolarHBondContact OG-OE2 3.24Å; E217-M220 HydrophobicContact CG-CE 4.46Å; E217-M220 PolarHBondContact O-N 2.74Å; E217-L221 HydrophobicContact CB-CD1 4.31Å; E217-L221 VanDerWaalsContact O-CB 3.27Å; E217-L221 WeakPolarHBondContact O-CB 3.35Å; E217-L221 WeakPolarHBondContact O-CG 3.39Å; E217-L221 PolarHBondContact O-N 3.06Å
218	E	86.9	Confident	88.2	Confident	67 Å²	67	61.1 Å²	61.1	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-54.2	-53.7	171.2	173.4	161.8	-156.1	0	0	110.8	L213 S214 M220 L222	L213-E218 HydrophobicContact CB-CB 4.46Å; S214-E218 WeakPolarHBondContact O-CB 3.19Å; S214-E218 PolarHBondContact O-N 2.74Å; E218-M220 VanDerWaalsContact C-N 3.28Å; E218-M220 PolarHBondContact O-N 2.72Å; E218-L222 HydrophobicContact CG-CD1 4.27Å; E218-L222 WeakPolarHBondContact O-CB 3.46Å; E218-L222 PolarHBondContact O-N 2.73Å
219	N	86.9	Confident	87.9	Confident	123 Å²	123	63.7 Å²	63.7	66%	0.658	34%	0.336	S	S	*	.	H	α-helix	trans	-67.6	-18.9	177	-79.7	-77.5	0	0	0	114.9	E215	E215-N219 WeakPolarHBondContact O-CB 3.34Å; E215-N219 PolarHBondContact O-N 3.08Å; E215-N219 PolarHBondContact O-ND2 3.49Å
220	M	86.8	Confident	87.7	Confident	135 Å²	135	63.6 Å²	63.6	67%	0.665	34%	0.336	S	S	*	.	H	α-helix	trans	-95.5	-33.2	179.4	-77.7	-172.1	-66.8	0	0	114	S216 E217 E218	S216-M220 WeakPolarHBondContact O-CB 3.35Å; S216-M220 VanDerWaalsContact O-CE 3.31Å; S216-M220 WeakPolarHBondContact O-CE 3.39Å; S216-M220 VanDerWaalsContact O-CG 3.23Å; S216-M220 WeakPolarHBondContact O-CG 3.5Å; S216-M220 PolarHBondContact O-N 3.12Å; E217-M220 HydrophobicContact CG-CE 4.46Å; E217-M220 PolarHBondContact O-N 2.74Å; E218-M220 VanDerWaalsContact C-N 3.28Å; E218-M220 PolarHBondContact O-N 2.72Å
221	L	85.5	Confident	87.6	Confident	36 Å²	36	64 Å²	64	19%	0.188	34%	0.339	C	S	.	.	H	α-helix	trans	-99	-36.8	-173	-61.8	176.6	0	0	0	112.1	A76 K77 L213 E217 N227	A76-L221 HydrophobicContact CB-CD1 3.83Å; K77-L221 HydrophobicContact CB-CD2 4.25Å; K77-L221 HydrophobicContact CG-CD2 4.37Å; L213-L221 HydrophobicContact CD2-CD1 4.13Å; E217-L221 HydrophobicContact CB-CD1 4.31Å; E217-L221 VanDerWaalsContact O-CB 3.27Å; E217-L221 WeakPolarHBondContact O-CB 3.35Å; E217-L221 WeakPolarHBondContact O-CG 3.39Å; E217-L221 PolarHBondContact O-N 3.06Å; L221-N227 PolarHBondContact O-ND2 2.94Å
222	L	90.1	Very high	87.3	Confident	22 Å²	22	65.4 Å²	65.4	12%	0.115	35%	0.345	C	S	.	.			trans	-93	147.1	-171.7	-55.6	-176.4	0	0	0	113.3	M102 L213 E218 N227 V231	M102-L222 HydrophobicContact CE-CD2 3.79Å; L213-L222 HydrophobicContact CD1-CD1 3.82Å; L213-L222 HydrophobicContact CD1-CG 4.35Å; E218-L222 HydrophobicContact CG-CD1 4.27Å; E218-L222 WeakPolarHBondContact O-CB 3.46Å; E218-L222 PolarHBondContact O-N 2.73Å; L222-N227 WeakPolarHBondContact CA-OD1 3.49Å; L222-V231 HydrophobicContact CD1-CG1 4.21Å; L222-V231 HydrophobicContact CD1-CG2 3.76Å; L222-V231 HydrophobicContact CD2-CG2 3.98Å
223	R	85.4	Confident	87	Confident	88 Å²	88	69.6 Å²	69.6	33%	0.332	36%	0.36	S	S	.	.			trans	-133.4	113.9	168.5	-79.1	175.2	-56.2	-56.6	-15.5	106.7	T104 G225 E226 N227	T104-R223 VanDerWaalsContact CG2-NH2 3.27Å; T104-R223 PolarHBondContact OG1-NE 3.19Å; T104-R223 PolarHBondContact OG1-NH2 3.33Å; R223-G225 PolarHBondContact O-N 3.35Å; R223-E226 HydrophobicContact CB-CB 4.08Å; R223-E226 HydrophobicContact CB-CG 4.24Å; R223-E226 WeakPolarHBondContact CD-OE2 3.14Å; R223-E226 IonicContact CZ-OE2 3.97Å; R223-E226 IonicContact NE-OE2 2.75Å; R223-E226 PolarHBondContact NE-OE2 3.21Å; R223-E226 IonicContact NH2-OE2 3.01Å; R223-E226 PolarHBondContact O-N 3.35Å; R223-N227 PolarHBondContact N-OD1 2.94Å; R223-N227 PolarHBondContact NH2-ND2 2.6Å; R223-N227 VanDerWaalsContact NH2-ND2 3.17Å; R223-N227 PolarHBondContact O-N 3.21Å; R223-N227 PolarHBondContact O-OD1 3.03Å
224	H	84.6	Confident	86.7	Confident	167 Å²	167	70.2 Å²	70.2	77%	0.773	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	124.9	-176.3	-64.1	90.4	0	0	0	111.5	E226 D228	H224-E226 VanDerWaalsContact C-N 3.32Å; H224-D228 VanDerWaalsContact CA-OD2 3.28Å; H224-D228 WeakPolarHBondContact CA-OD2 3.5Å
225	G	81.9	Confident	86.2	Confident	70 Å²	70	73.9 Å²	73.9	72%	0.722	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	7.3	-176.3	0	0	0	0	0	115.8	R223 D228	R223-G225 PolarHBondContact O-N 3.35Å; G225-D228 WeakPolarHBondContact CA-OD1 3.06Å; G225-D228 VanDerWaalsContact N-CG 3.27Å; G225-D228 PolarHBondContact N-OD1 2.76Å; G225-D228 PolarHBondContact N-OD2 2.94Å
226	E	85.3	Confident	85.8	Confident	108 Å²	108	77.8 Å²	77.8	51%	0.505	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-44.3	171.7	-63.1	-171.4	-178.4	0	0	113.5	T104 R223 H224	T104-E226 WeakPolarHBondContact CB-OE2 3.32Å; T104-E226 HydrophobicContact CG2-CB 3.82Å; T104-E226 WeakPolarHBondContact CG2-OE2 3.28Å; T104-E226 PolarHBondContact OG1-OE2 3.5Å; R223-E226 HydrophobicContact CB-CB 4.08Å; R223-E226 HydrophobicContact CB-CG 4.24Å; R223-E226 WeakPolarHBondContact CD-OE2 3.14Å; R223-E226 IonicContact CZ-OE2 3.97Å; R223-E226 IonicContact NE-OE2 2.75Å; R223-E226 PolarHBondContact NE-OE2 3.21Å; R223-E226 IonicContact NH2-OE2 3.01Å; R223-E226 PolarHBondContact O-N 3.35Å; H224-E226 VanDerWaalsContact C-N 3.32Å
227	N	86.8	Confident	85.4	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.005	39%	0.388	C	S	.	.	S	Bend	trans	-143.6	21.4	-171.6	73.7	-13.7	0	0	0	114.5	M102 T104 L221 L222 R223 F229	M102-N227 HydrophobicContact CE-CB 4.42Å; M102-N227 VanDerWaalsContact CE-O 3.24Å; M102-N227 WeakPolarHBondContact CE-O 3.4Å; M102-N227 PolarHBondContact O-ND2 3.27Å; T104-N227 HydrophobicContact CG2-CB 4.29Å; L221-N227 PolarHBondContact O-ND2 2.94Å; L222-N227 WeakPolarHBondContact CA-OD1 3.49Å; R223-N227 PolarHBondContact N-OD1 2.94Å; R223-N227 PolarHBondContact NH2-ND2 2.6Å; R223-N227 VanDerWaalsContact NH2-ND2 3.17Å; R223-N227 PolarHBondContact O-N 3.21Å; R223-N227 PolarHBondContact O-OD1 3.03Å; N227-F229 HydrophobicContact CB-CE1 4.4Å
228	D	87.9	Confident	85.2	Confident	49 Å²	49	82 Å²	82	26%	0.262	41%	0.408	S	S	.	.			trans	-95.8	4.1	176.3	52.9	-17.8	0	0	0	113.3	H224 G225 S230 V231	H224-D228 VanDerWaalsContact CA-OD2 3.28Å; H224-D228 WeakPolarHBondContact CA-OD2 3.5Å; G225-D228 WeakPolarHBondContact CA-OD1 3.06Å; G225-D228 VanDerWaalsContact N-CG 3.27Å; G225-D228 PolarHBondContact N-OD1 2.76Å; G225-D228 PolarHBondContact N-OD2 2.94Å; D228-S230 PolarHBondContact O-N 3.49Å; D228-V231 HydrophobicContact CB-CG2 4.34Å; D228-V231 PolarHBondContact O-N 2.79Å
229	F	87.1	Confident	85.1	Confident	56 Å²	56	80 Å²	80	25%	0.246	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-26.2	-173.5	56.4	-97.3	0	0	0	116.1	H100 M102 N227 L244	H100-F229 HydrophobicContact CB-CD1 4.22Å; H100-F229 HydrophobicContact CB-CD2 4.31Å; H100-F229 HydrophobicContact CB-CE1 3.87Å; H100-F229 HydrophobicContact CB-CE2 3.97Å; H100-F229 HydrophobicContact CB-CG 4.46Å; H100-F229 HydrophobicContact CB-CZ 3.74Å; H100-F229 AromaticContact CD2-CE2 3.44Å; H100-F229 VanDerWaalsContact CD2-CE2 3.44Å; H100-F229 WeakPolarHBondContact CD2-CE2 3.39Å; H100-F229 AromaticContact CD2-CZ 3.54Å; H100-F229 AromaticContact CE1-CE2 3.61Å; H100-F229 AromaticContact CG-CD2 3.95Å; H100-F229 AromaticContact CG-CE2 3.43Å; H100-F229 VanDerWaalsContact CG-CE2 3.43Å; H100-F229 AromaticContact CG-CZ 3.6Å; H100-F229 AromaticContact ND1-CD2 3.72Å; H100-F229 AromaticContact ND1-CE2 3.52Å; H100-F229 AromaticContact NE2-CE2 3.58Å; M102-F229 HydrophobicContact SD-CE1 3.85Å; M102-F229 HydrophobicContact SD-CZ 3.59Å; M102-F229 VanDerWaalsContact SD-CZ 3.59Å; N227-F229 HydrophobicContact CB-CE1 4.4Å; F229-L244 HydrophobicContact CE2-CD2 4.07Å; F229-L244 HydrophobicContact CZ-CD2 4.17Å
230	S	88.9	Confident	85.1	Confident	11 Å²	11	74.3 Å²	74.3	8%	0.077	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	22.1	-179	64.2	0	0	0	0	114	D228 W243	D228-S230 PolarHBondContact O-N 3.49Å; S230-W243 WeakPolarHBondContact CB-O 3.31Å; S230-W243 PolarHBondContact O-N 3.02Å; S230-W243 PolarHBondContact OG-O 3.09Å
231	V	89.8	Confident	85.3	Confident	24 Å²	24	68.6 Å²	68.6	15%	0.145	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	118.3	177.6	-179.8	0	0	0	0	109.8	L222 D228 A240 Q241 L242 F290	L222-V231 HydrophobicContact CD1-CG1 4.21Å; L222-V231 HydrophobicContact CD1-CG2 3.76Å; L222-V231 HydrophobicContact CD2-CG2 3.98Å; D228-V231 HydrophobicContact CB-CG2 4.34Å; D228-V231 PolarHBondContact O-N 2.79Å; V231-A240 HydrophobicContact CG1-CB 3.98Å; V231-Q241 WeakPolarHBondContact CA-O 3.48Å; V231-L242 HydrophobicContact CG2-CD1 4.06Å; V231-F290 WeakPolarHBondContact O-CE2 3.42Å
232	M	86.3	Confident	85.7	Confident	31 Å²	31	67 Å²	67	15%	0.153	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.9	177.7	-80.2	-173	-90.9	0	0	111.3	Q241 W243 F260	M232-Q241 PolarHBondContact N-O 3.35Å; M232-Q241 PolarHBondContact O-N 3.39Å; M232-W243 HydrophobicContact CE-CB 4.32Å; M232-W243 HydrophobicContact CE-CD2 3.46Å; M232-W243 VanDerWaalsContact CE-CD2 3.46Å; M232-W243 HydrophobicContact CE-CE3 3.86Å; M232-W243 HydrophobicContact CE-CG 3.66Å; M232-W243 HydrophobicContact CE-CH2 4.47Å; M232-W243 HydrophobicContact CE-CZ2 4.14Å; M232-W243 HydrophobicContact CE-CZ3 4.33Å; M232-F260 HydrophobicContact CE-CD2 4.12Å; M232-F260 HydrophobicContact CE-CE2 3.73Å; M232-F260 HydrophobicContact CE-CZ 4.16Å; M232-F260 HydrophobicContact SD-CD2 4.38Å; M232-F260 HydrophobicContact SD-CE2 4.13Å
233	Y	84.6	Confident	85.8	Confident	137 Å²	137	67.3 Å²	67.3	54%	0.537	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126	179	-170.4	-94.4	0	0	0	112.4	T235 N238	Y233-T235 HydrophobicContact CD1-CG2 4.11Å; Y233-T235 HydrophobicContact CE1-CG2 4.28Å; Y233-T235 PolarHBondContact O-N 3.26Å; Y233-N238 WeakPolarHBondContact OH-CA 3.42Å; Y233-N238 PolarHBondContact OH-ND2 2.97Å
234	S	82.2	Confident	86.3	Confident	20 Å²	20	63.1 Å²	63.1	14%	0.14	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	92.6	-175.3	-160.3	0	0	0	0	111.5	R236 K237 N238 C239 Q241	S234-R236 PolarHBondContact O-N 3.1Å; S234-K237 CarbonylContact O-C 3.55Å; S234-K237 PolarHBondContact O-N 3.12Å; S234-N238 WeakPolarHBondContact O-CA 3.45Å; S234-N238 PolarHBondContact O-N 2.99Å; S234-C239 PolarHBondContact N-O 2.93Å; S234-Q241 PolarHBondContact OG-OE1 3.03Å
235	T	79.4	Confident	86.8	Confident	127 Å²	127	55.2 Å²	55.2	78%	0.779	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.8	179.2	57.5	0	0	0	0	114.2	Y233	Y233-T235 HydrophobicContact CD1-CG2 4.11Å; Y233-T235 HydrophobicContact CE1-CG2 4.28Å; Y233-T235 PolarHBondContact O-N 3.26Å
236	R	79.2	Confident	87.5	Confident	237 Å²	237	51.9 Å²	51.9	89%	0.894	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-32.3	173.8	-179.5	176.6	175.3	-174.1	-1.2	113.4	S234	S234-R236 PolarHBondContact O-N 3.1Å
237	K	79.6	Confident	88	Confident	88 Å²	88	46.9 Å²	46.9	38%	0.383	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-15.2	-177.9	-59.2	-175.8	-175.1	176.3	0	112.8	E212 S234 C239	E212-K237 HydrophobicContact CG-CD 4.34Å; E212-K237 WeakPolarHBondContact OE1-CE 3.26Å; E212-K237 IonicContact OE1-NZ 3.4Å; E212-K237 PolarHBondContact OE1-NZ 3.39Å; S234-K237 CarbonylContact O-C 3.55Å; S234-K237 PolarHBondContact O-N 3.12Å; K237-C239 VanDerWaalsContact C-N 3.31Å
238	N	83.6	Confident	88.4	Confident	126 Å²	126	47.7 Å²	47.7	67%	0.674	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	39.6	-174.9	-156.8	103	0	0	0	112.7	Y233 S234	Y233-N238 WeakPolarHBondContact OH-CA 3.42Å; Y233-N238 PolarHBondContact OH-ND2 2.97Å; S234-N238 WeakPolarHBondContact O-CA 3.45Å; S234-N238 PolarHBondContact O-N 2.99Å
239	C	84.4	Confident	88.8	Confident	24 Å²	24	45.7 Å²	45.7	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.1	180	72.9	0	0	0	0	111.2	S234 K237	S234-C239 PolarHBondContact N-O 2.93Å; K237-C239 VanDerWaalsContact C-N 3.31Å
240	A	88.1	Confident	89.3	Confident	3 Å²	3	43.1 Å²	43.1	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	147.1	163.6	0	0	0	0	0	110.3	L213 V231	L213-A240 HydrophobicContact CB-CB 4.21Å; L213-A240 HydrophobicContact CD1-CB 4.14Å; L213-A240 PolarHBondContact N-O 3.31Å; V231-A240 HydrophobicContact CG1-CB 3.98Å
241	Q	91.1	Very high	89.7	Confident	16 Å²	16	43.2 Å²	43.2	8%	0.075	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.7	171.2	-59.7	-166	-95	0	0	108.7	I210 A211 E212 V231 M232 S234	I210-Q241 HydrophobicContact CG2-CB 4.04Å; A211-Q241 CarbonylContact O-C 3.59Å; A211-Q241 WeakPolarHBondContact O-CA 3.19Å; E212-Q241 HydrophobicContact CG-CG 4.27Å; V231-Q241 WeakPolarHBondContact CA-O 3.48Å; M232-Q241 PolarHBondContact N-O 3.35Å; M232-Q241 PolarHBondContact O-N 3.39Å; S234-Q241 PolarHBondContact OG-OE1 3.03Å
242	L	92.9	Very high	90	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.2	173	174.7	63.4	0	0	0	109.2	C80 M102 I210 A211 L213 V231 L244	C80-L242 WeakPolarHBondContact SG-CD2 3.27Å; M102-L242 HydrophobicContact CE-CD1 3.62Å; M102-L242 HydrophobicContact CE-CD2 3.94Å; M102-L242 HydrophobicContact CE-CG 4.45Å; M102-L242 HydrophobicContact SD-CD1 3.96Å; I210-L242 WeakPolarHBondContact CA-O 3.32Å; A211-L242 PolarHBondContact N-O 2.95Å; A211-L242 PolarHBondContact O-N 2.88Å; L213-L242 HydrophobicContact CD1-CB 4.18Å; L213-L242 HydrophobicContact CG-CB 4.28Å; V231-L242 HydrophobicContact CG2-CD1 4.06Å; L242-L244 HydrophobicContact CD1-CD1 4.41Å; L242-L244 HydrophobicContact CD1-CD2 4.42Å; L242-L244 HydrophobicContact CD1-CG 4.14Å; L242-L244 HydrophobicContact CD2-CD1 4.02Å; L242-L244 HydrophobicContact CD2-CG 4.47Å; L242-L244 HydrophobicContact CG-CD1 4.24Å; L242-L244 HydrophobicContact CG-CG 4.13Å
243	W	93.8	Very high	90.6	Very high	30 Å²	30	41.3 Å²	41.3	11%	0.114	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.8	177.8	-66.8	60.7	0	0	0	109.6	C209 I210 S230 M232 F260 A268	C209-W243 WeakPolarHBondContact O-CA 3.39Å; I210-W243 HydrophobicContact CD1-CD2 4.11Å; I210-W243 HydrophobicContact CD1-CE3 4.09Å; I210-W243 HydrophobicContact CD1-CH2 3.62Å; I210-W243 HydrophobicContact CD1-CZ2 3.63Å; I210-W243 HydrophobicContact CD1-CZ3 3.87Å; I210-W243 HydrophobicContact CG1-CD2 3.81Å; I210-W243 HydrophobicContact CG1-CE3 3.96Å; I210-W243 HydrophobicContact CG1-CG 4.35Å; I210-W243 HydrophobicContact CG1-CH2 4.38Å; I210-W243 HydrophobicContact CG1-CZ2 4.24Å; I210-W243 HydrophobicContact CG1-CZ3 4.25Å; S230-W243 WeakPolarHBondContact CB-O 3.31Å; S230-W243 PolarHBondContact O-N 3.02Å; S230-W243 PolarHBondContact OG-O 3.09Å; M232-W243 HydrophobicContact CE-CB 4.32Å; M232-W243 HydrophobicContact CE-CD2 3.46Å; M232-W243 VanDerWaalsContact CE-CD2 3.46Å; M232-W243 HydrophobicContact CE-CE3 3.86Å; M232-W243 HydrophobicContact CE-CG 3.66Å; M232-W243 HydrophobicContact CE-CH2 4.47Å; M232-W243 HydrophobicContact CE-CZ2 4.14Å; M232-W243 HydrophobicContact CE-CZ3 4.33Å; W243-F260 HydrophobicContact CE3-CD1 4.38Å; W243-F260 HydrophobicContact CH2-CB 3.93Å; W243-F260 HydrophobicContact CH2-CG 4.15Å; W243-F260 HydrophobicContact CZ3-CB 3.95Å; W243-F260 AromaticContact CZ3-CD1 3.77Å; W243-F260 HydrophobicContact CZ3-CD1 3.77Å; W243-F260 HydrophobicContact CZ3-CD2 4.47Å; W243-F260 HydrophobicContact CZ3-CE1 4.4Å; W243-F260 AromaticContact CZ3-CG 3.81Å; W243-F260 HydrophobicContact CZ3-CG 3.81Å; W243-A268 HydrophobicContact CH2-CB 3.85Å; W243-A268 HydrophobicContact CZ3-CB 3.52Å
244	L	95.6	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	179	176.6	-69.2	179.4	0	0	0	110.2	L79 D83 M102 G208 C209 F229 L242	L79-L244 HydrophobicContact CD1-CB 4.45Å; L79-L244 HydrophobicContact CD2-CB 4.48Å; L79-L244 HydrophobicContact CG-CB 4.27Å; L79-L244 HydrophobicContact CG-CD1 4.21Å; D83-L244 HydrophobicContact CB-CB 4.14Å; D83-L244 HydrophobicContact CB-CD1 3.79Å; D83-L244 HydrophobicContact CB-CG 4.45Å; D83-L244 WeakPolarHBondContact OD1-CB 3.35Å; M102-L244 HydrophobicContact CG-CD1 3.64Å; M102-L244 HydrophobicContact CG-CD2 4.23Å; M102-L244 HydrophobicContact SD-CD1 4.18Å; M102-L244 HydrophobicContact SD-CD2 4.02Å; G208-L244 CarbonylContact C-O 3.52Å; G208-L244 WeakPolarHBondContact CA-O 3.02Å; C209-L244 PolarHBondContact N-O 3.31Å; C209-L244 PolarHBondContact O-N 2.74Å; F229-L244 HydrophobicContact CE2-CD2 4.07Å; F229-L244 HydrophobicContact CZ-CD2 4.17Å; L242-L244 HydrophobicContact CD1-CD1 4.41Å; L242-L244 HydrophobicContact CD1-CD2 4.42Å; L242-L244 HydrophobicContact CD1-CG 4.14Å; L242-L244 HydrophobicContact CD2-CD1 4.02Å; L242-L244 HydrophobicContact CD2-CG 4.47Å; L242-L244 HydrophobicContact CG-CD1 4.24Å; L242-L244 HydrophobicContact CG-CG 4.13Å
245	G	95.1	Very high	91.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	89.3	178.1	-166.7	0	0	0	0	0	114	D83 Y164 A247 A248	D83-G245 PolarHBondContact OD1-N 3.05Å; Y164-G245 WeakPolarHBondContact OH-CA 3.44Å; Y164-G245 PolarHBondContact OH-N 3.18Å; Y164-G245 PolarHBondContact OH-O 3.4Å; G245-A247 PolarHBondContact O-N 3.34Å; G245-A248 VanDerWaalsContact O-CB 3.32Å; G245-A248 WeakPolarHBondContact O-CB 3.41Å; G245-A248 PolarHBondContact O-N 2.92Å
246	P	95.4	Very high	92.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-47.9	-35.9	-177.4	-28.7	32.2	0	0	0	115.4	V163 Y164 I167 L206 V207 A248 F249	V163-P246 VanDerWaalsContact CG1-CD 3.46Å; V163-P246 HydrophobicContact CG1-CG 3.83Å; Y164-P246 HydrophobicContact CD1-CG 4.23Å; Y164-P246 HydrophobicContact CE1-CG 4.36Å; Y164-P246 HydrophobicContact CG-CG 4.39Å; I167-P246 HydrophobicContact CD1-CB 3.98Å; I167-P246 HydrophobicContact CD1-CG 3.92Å; I167-P246 HydrophobicContact CG1-CB 4.02Å; I167-P246 HydrophobicContact CG1-CG 3.93Å; L206-P246 HydrophobicContact CD1-CB 4.02Å; V207-P246 VanDerWaalsContact O-CD 3.29Å; V207-P246 WeakPolarHBondContact O-CD 3.34Å; P246-A248 PolarHBondContact O-N 3.34Å; P246-F249 PolarHBondContact O-N 2.91Å
247	A	95.7	Very high	93.5	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.033	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-72.1	-11.6	-179.4	0	0	0	0	0	114.7	L206 V207 G245 F249 I250 F260	L206-A247 HydrophobicContact CD1-CB 4.34Å; V207-A247 VanDerWaalsContact C-CB 3.47Å; V207-A247 WeakPolarHBondContact O-CB 3.29Å; V207-A247 PolarHBondContact O-N 2.9Å; G245-A247 PolarHBondContact O-N 3.34Å; A247-F249 PolarHBondContact O-N 3.35Å; A247-I250 HydrophobicContact CB-CD1 3.89Å; A247-I250 WeakPolarHBondContact O-CB 3.39Å; A247-I250 WeakPolarHBondContact O-CG1 3.25Å; A247-I250 PolarHBondContact O-N 3.14Å; A247-F260 HydrophobicContact CB-CE1 4.29Å
248	A	96	Very high	94.3	Very high	18 Å²	18	18.4 Å²	18.4	15%	0.149	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-73.2	-9.7	172.7	0	0	0	0	0	113.4	G245 P246	G245-A248 VanDerWaalsContact O-CB 3.32Å; G245-A248 WeakPolarHBondContact O-CB 3.41Å; G245-A248 PolarHBondContact O-N 2.92Å; P246-A248 PolarHBondContact O-N 3.34Å
249	F	96.7	Very high	94.9	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.026	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-95.8	9.5	173.3	-64.1	-80.9	0	0	0	113.4	T87 L91 T99 H100 Y164 I176 A189 I191 P246 A247	T87-F249 HydrophobicContact CG2-CZ 4.42Å; L91-F249 HydrophobicContact CD1-CD2 4.19Å; L91-F249 HydrophobicContact CD1-CE1 4.49Å; L91-F249 HydrophobicContact CD1-CE2 3.44Å; L91-F249 VanDerWaalsContact CD1-CE2 3.44Å; L91-F249 HydrophobicContact CD1-CZ 3.61Å; T99-F249 HydrophobicContact CG2-CE1 4.12Å; T99-F249 HydrophobicContact CG2-CZ 4.29Å; H100-F249 AromaticContact CD2-CZ 3.8Å; H100-F249 AromaticContact CE1-CD1 3.63Å; H100-F249 AromaticContact CE1-CE1 3.31Å; H100-F249 WeakPolarHBondContact CE1-CE1 3.42Å; H100-F249 AromaticContact CE1-CE2 3.79Å; H100-F249 AromaticContact CE1-CZ 3.39Å; H100-F249 WeakPolarHBondContact CE1-CZ 3.2Å; H100-F249 AromaticContact ND1-CD1 4Å; H100-F249 AromaticContact ND1-CE1 3.53Å; H100-F249 AromaticContact ND1-CZ 3.94Å; H100-F249 AromaticContact NE2-CE1 3.69Å; H100-F249 AromaticContact NE2-CE2 3.59Å; H100-F249 AromaticContact NE2-CZ 3.27Å; H100-F249 VanDerWaalsContact NE2-CZ 3.27Å; H100-F249 WeakPolarHBondContact NE2-CZ 3.3Å; Y164-F249 HydrophobicContact CE1-CE2 4.12Å; I176-F249 HydrophobicContact CD1-CB 4.16Å; I176-F249 HydrophobicContact CD1-CD1 3.92Å; I176-F249 HydrophobicContact CD1-CD2 3.96Å; I176-F249 HydrophobicContact CD1-CE1 4.27Å; I176-F249 HydrophobicContact CD1-CE2 4.33Å; I176-F249 HydrophobicContact CD1-CG 3.73Å; I176-F249 HydrophobicContact CD1-CZ 4.47Å; A189-F249 HydrophobicContact CB-CD1 3.81Å; A189-F249 HydrophobicContact CB-CE1 4.14Å; I191-F249 HydrophobicContact CD1-CB 3.95Å; I191-F249 HydrophobicContact CG1-CB 3.92Å; I191-F249 PolarHBondContact N-O 2.8Å; P246-F249 PolarHBondContact O-N 2.91Å; A247-F249 PolarHBondContact O-N 3.35Å
250	I	97.3	Very high	95.4	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	9%	0.09	C	C	.	.			trans	-87.7	108.2	176.8	-59.6	175.5	0	0	0	109.1	I191 L206 A247 F260 V270 I282 C284 Y286	I191-I250 HydrophobicContact CB-CG1 4.39Å; I191-I250 HydrophobicContact CG1-CG1 4.06Å; L206-I250 HydrophobicContact CD1-CD1 3.94Å; L206-I250 HydrophobicContact CD1-CG1 4.15Å; L206-I250 HydrophobicContact CD2-CD1 3.63Å; L206-I250 HydrophobicContact CD2-CG1 4.14Å; L206-I250 HydrophobicContact CG-CD1 3.68Å; L206-I250 HydrophobicContact CG-CG1 4.36Å; A247-I250 HydrophobicContact CB-CD1 3.89Å; A247-I250 WeakPolarHBondContact O-CB 3.39Å; A247-I250 WeakPolarHBondContact O-CG1 3.25Å; A247-I250 PolarHBondContact O-N 3.14Å; I250-F260 HydrophobicContact CD1-CE1 4.1Å; I250-V270 HydrophobicContact CD1-CG1 3.52Å; I250-V270 HydrophobicContact CD1-CG2 4.4Å; I250-I282 HydrophobicContact CD1-CG2 4.43Å; I250-I282 HydrophobicContact CG1-CG2 4.48Å; I250-I282 HydrophobicContact CG2-CG2 4.13Å; I250-C284 HydrophobicContact CG2-CB 3.81Å; I250-Y286 WeakPolarHBondContact O-CE1 3.45Å; I250-Y286 PolarHBondContact O-OH 3.31Å
251	N	97	Very high	95.6	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.07	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	159.9	-175.9	-69	-35.3	0	0	0	114.2	Y182 K190 E281 S283 C284 Y286	Y182-N251 HydrophobicContact CE2-CB 4.11Å; K190-N251 WeakPolarHBondContact CB-ND2 3.42Å; N251-E281 PolarHBondContact ND2-OE1 3.18Å; N251-S283 VanDerWaalsContact O-CA 3.32Å; N251-S283 WeakPolarHBondContact O-CA 3.38Å; N251-C284 PolarHBondContact O-N 2.92Å; N251-Y286 WeakPolarHBondContact CA-OH 3.24Å
252	H	96.5	Very high	95.5	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.019	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134	173.6	-171	108.2	0	0	0	112	C284 Y285 Y286 F291 C300	H252-C284 CarbonylContact C-O 3.48Å; H252-C284 VanDerWaalsContact CA-O 3.31Å; H252-C284 WeakPolarHBondContact CA-O 3.26Å; H252-Y285 AromaticContact CE1-CD2 3.59Å; H252-Y285 AromaticContact CE1-CE2 3.82Å; H252-Y285 AromaticContact NE2-CD2 3.68Å; H252-Y285 AromaticContact NE2-CE2 3.87Å; H252-Y286 HydrophobicContact CB-CD1 4.11Å; H252-Y286 HydrophobicContact CB-CD2 4.06Å; H252-Y286 HydrophobicContact CB-CE1 3.87Å; H252-Y286 HydrophobicContact CB-CE2 3.86Å; H252-Y286 HydrophobicContact CB-CG 4.2Å; H252-Y286 PolarHBondContact N-OH 3.17Å; H252-Y286 AromaticContact ND1-CD1 3.8Å; H252-Y286 AromaticContact ND1-CD2 3.74Å; H252-Y286 AromaticContact ND1-CG 3.39Å; H252-Y286 PolarHBondContact ND1-N 2.89Å; H252-F291 HydrophobicContact CB-CE2 3.61Å; H252-F291 HydrophobicContact CB-CZ 4.06Å; H252-F291 AromaticContact CG-CE2 3.55Å; H252-F291 AromaticContact ND1-CE2 3.65Å; H252-C300 WeakPolarHBondContact O-CB 3.49Å
253	D	97.6	Very high	95.1	Very high	11 Å²	11	28.1 Å²	28.1	6%	0.059	16%	0.156	C	C	.	.			trans	-137.2	138.9	154.9	-168.2	-78.1	0	0	0	111.4	R255 P256 C284 C300 Y301 T302	D253-R255 PolarHBondContact O-N 2.95Å; D253-R255 VanDerWaalsContact O-N 3.12Å; D253-R255 WeakPolarHBondContact OD1-CA 3.47Å; D253-R255 PolarHBondContact OD1-N 3.22Å; D253-P256 VanDerWaalsContact O-CD 3.28Å; D253-P256 WeakPolarHBondContact O-CD 3.5Å; D253-C284 PolarHBondContact N-O 3.19Å; D253-C300 HydrophobicContact CB-CB 4.03Å; D253-C300 WeakPolarHBondContact OD2-CB 3.28Å; D253-Y301 PolarHBondContact OD2-N 3.13Å; D253-T302 WeakPolarHBondContact OD1-CB 3.44Å; D253-T302 PolarHBondContact OD1-OG1 2.98Å; D253-T302 PolarHBondContact OD2-N 3.14Å; D253-T302 PolarHBondContact OD2-OG1 3.26Å
254	C	96.3	Very high	94.6	Very high	43 Å²	43	28.1 Å²	28.1	29%	0.291	17%	0.165	S	C	.	.	S	Bend	trans	-65.4	-9.6	178.8	-70.4	0	0	0	0	113.9	C300 T302	C254-C300 PolarHBondContact N-SG 2.94Å; C254-C300 VanDerWaalsContact N-SG 3.37Å; C254-T302 HydrophobicContact CB-CG2 4.14Å
255	R	96	Very high	93.8	Very high	61 Å²	61	37.5 Å²	37.5	23%	0.23	20%	0.2	C	C	.	.	S	Bend	trans	-136.5	74.9	168.8	-177.1	-162	162.1	145.6	-0.4	108.1	D253 T302 E332 D334	D253-R255 PolarHBondContact O-N 2.95Å; D253-R255 VanDerWaalsContact O-N 3.12Å; D253-R255 WeakPolarHBondContact OD1-CA 3.47Å; D253-R255 PolarHBondContact OD1-N 3.22Å; R255-T302 HydrophobicContact CB-CG2 3.86Å; R255-E332 VanDerWaalsContact CZ-O 3.25Å; R255-E332 IonicContact CZ-OE2 3.45Å; R255-E332 PolarHBondContact NH1-O 2.93Å; R255-E332 IonicContact NH1-OE2 3.71Å; R255-E332 PolarHBondContact NH1-OE2 3.29Å; R255-E332 PolarHBondContact NH2-O 2.95Å; R255-D334 IonicContact CZ-OD1 3.82Å; R255-D334 IonicContact NE-OD1 3.51Å; R255-D334 PolarHBondContact NE-OD1 3.17Å; R255-D334 IonicContact NH2-OD1 2.67Å; R255-D334 PolarHBondContact NH2-OD1 3.49Å; R255-D334 IonicContact NH2-OD2 3.73Å; R255-D334 PolarHBondContact NH2-OD2 3.14Å
256	P	97.2	Very high	93.4	Very high	24 Å²	24	37.8 Å²	37.8	16%	0.156	20%	0.202	C	C	.	.			trans	-70.1	163.5	-171.5	33.7	-39.5	0	0	0	112.3	D253 C258 L273 S283	D253-P256 VanDerWaalsContact O-CD 3.28Å; D253-P256 WeakPolarHBondContact O-CD 3.5Å; P256-C258 WeakPolarHBondContact CB-O 3.25Å; P256-L273 HydrophobicContact CG-CD1 3.91Å; P256-S283 VanDerWaalsContact CB-O 3.26Å; P256-S283 WeakPolarHBondContact CB-O 3.3Å
257	N	97.5	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-94.6	-14.9	165.4	54.8	22.9	0	0	0	113.8	L273 R274 I276 E280 E281 I282 S283	N257-L273 WeakPolarHBondContact O-CB 3.28Å; N257-L273 PolarHBondContact O-N 3.06Å; N257-R274 HydrophobicContact CB-CG 4.06Å; N257-I276 HydrophobicContact CB-CD1 3.82Å; N257-I276 HydrophobicContact CB-CG1 3.93Å; N257-E280 PolarHBondContact ND2-OE1 2.83Å; N257-E281 PolarHBondContact ND2-O 3.08Å; N257-I282 WeakPolarHBondContact OD1-CA 3.2Å; N257-S283 PolarHBondContact N-O 2.99Å; N257-S283 PolarHBondContact N-OG 3.39Å; N257-S283 PolarHBondContact OD1-N 2.88Å; N257-S283 PolarHBondContact OD1-O 3.2Å; N257-S283 PolarHBondContact OD1-OG 2.93Å
258	C	97.6	Very high	93	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	165.1	179.4	-83.7	0	0	0	0	112.9	P256 V270 L273 I282 S283	P256-C258 WeakPolarHBondContact CB-O 3.25Å; C258-V270 HydrophobicContact CB-CB 4.05Å; C258-V270 HydrophobicContact CB-CG1 4.47Å; C258-V270 HydrophobicContact CB-CG2 4.34Å; C258-L273 WeakPolarHBondContact O-CD1 3.25Å; C258-I282 HydrophobicContact CB-CG2 4.21Å; C258-S283 WeakPolarHBondContact CA-O 3.38Å; C258-S283 WeakPolarHBondContact CB-O 3.47Å; C258-S283 PolarHBondContact N-O 3.18Å
259	K	95.8	Very high	92.9	Very high	104 Å²	104	39.2 Å²	39.2	45%	0.452	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.7	162.9	62.4	171.4	171.5	-176.7	0	110.7	V270 K271 L273	K259-V270 CarbonylContact O-C 3.58Å; K259-V270 VanDerWaalsContact O-CA 3.28Å; K259-V270 WeakPolarHBondContact O-CA 3.3Å; K259-K271 PolarHBondContact N-O 2.58Å; K259-K271 PolarHBondContact O-N 2.85Å; K259-L273 HydrophobicContact CB-CD1 4.32Å; K259-L273 HydrophobicContact CB-CD2 4.29Å; K259-L273 HydrophobicContact CB-CG 4.44Å; K259-L273 HydrophobicContact CD-CD2 3.78Å; K259-L273 HydrophobicContact CG-CD2 3.75Å; K259-L273 HydrophobicContact CG-CG 4.26Å
260	F	93.7	Very high	92.9	Very high	41 Å²	41	38.9 Å²	38.9	18%	0.18	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	141.3	170.3	-57.1	-68.7	0	0	0	111.5	M232 W243 A247 I250 C269 V270 C284	M232-F260 HydrophobicContact CE-CD2 4.12Å; M232-F260 HydrophobicContact CE-CE2 3.73Å; M232-F260 HydrophobicContact CE-CZ 4.16Å; M232-F260 HydrophobicContact SD-CD2 4.38Å; M232-F260 HydrophobicContact SD-CE2 4.13Å; W243-F260 HydrophobicContact CE3-CD1 4.38Å; W243-F260 HydrophobicContact CH2-CB 3.93Å; W243-F260 HydrophobicContact CH2-CG 4.15Å; W243-F260 HydrophobicContact CZ3-CB 3.95Å; W243-F260 AromaticContact CZ3-CD1 3.77Å; W243-F260 HydrophobicContact CZ3-CD1 3.77Å; W243-F260 HydrophobicContact CZ3-CD2 4.47Å; W243-F260 HydrophobicContact CZ3-CE1 4.4Å; W243-F260 AromaticContact CZ3-CG 3.81Å; W243-F260 HydrophobicContact CZ3-CG 3.81Å; A247-F260 HydrophobicContact CB-CE1 4.29Å; I250-F260 HydrophobicContact CD1-CE1 4.1Å; F260-C269 WeakPolarHBondContact CA-O 3.47Å; F260-V270 HydrophobicContact CD1-CG1 3.69Å; F260-V270 HydrophobicContact CE1-CG1 3.94Å; F260-C284 HydrophobicContact CD2-CB 4.22Å; F260-C284 HydrophobicContact CE1-CB 4.47Å; F260-C284 HydrophobicContact CE2-CB 3.55Å; F260-C284 HydrophobicContact CZ-CB 3.7Å
261	V	92.2	Very high	92.9	Very high	35 Å²	35	41.6 Å²	41.6	21%	0.212	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.1	172.8	-68.8	0	0	0	0	109.5	T263 A268 C269 K271	V261-T263 PolarHBondContact O-N 2.99Å; V261-A268 CarbonylContact O-C 3.18Å; V261-A268 WeakPolarHBondContact O-CA 3.48Å; V261-A268 WeakPolarHBondContact O-CB 3.47Å; V261-C269 PolarHBondContact N-O 2.9Å; V261-C269 PolarHBondContact O-N 2.71Å; V261-K271 HydrophobicContact CB-CB 4.46Å; V261-K271 HydrophobicContact CG1-CB 3.63Å; V261-K271 HydrophobicContact CG2-CB 3.93Å
262	S	89.6	Confident	92.9	Very high	100 Å²	100	41 Å²	41	70%	0.699	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.4	176.2	162.5	0	0	0	0	110.3	G264	S262-G264 PolarHBondContact OG-O 2.94Å
263	T	85.8	Confident	92.9	Very high	95 Å²	95	43.6 Å²	43.6	58%	0.583	23%	0.23	S	C	*	.	S	Bend	trans	-111.9	-23.9	176	-52.6	0	0	0	0	110.6	V261 T267 C269	V261-T263 PolarHBondContact O-N 2.99Å; T263-T267 PolarHBondContact N-O 2.81Å; T263-C269 PolarHBondContact OG1-N 3.45Å; T263-C269 PolarHBondContact OG1-SG 3.38Å; T263-C269 VanDerWaalsContact OG1-SG 3.35Å
264	G	82.5	Confident	92.9	Very high	29 Å²	29	45.2 Å²	45.2	30%	0.299	24%	0.235	S	C	.	.	S	Bend	trans	-147.4	-169.4	166.2	0	0	0	0	0	110.4	S262 D266 T267	S262-G264 PolarHBondContact OG-O 2.94Å; G264-D266 VanDerWaalsContact C-N 3.32Å; G264-T267 PolarHBondContact N-O 2.79Å; G264-T267 PolarHBondContact N-OG1 3.41Å
265	R	79.2	Confident	92.9	Very high	197 Å²	197	46.6 Å²	46.6	74%	0.743	24%	0.24	S	C	*	.	S	Bend	trans	-62.9	-41.3	176.2	-59.2	-170.4	-165.6	132.6	-7.3	112.2	S71	S71-R265 PolarHBondContact OG-NH1 3.24Å
266	D	86.4	Confident	92.9	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.037	23%	0.229	C	C	.	.	S	Bend	trans	-118.8	13.7	-171	-62.3	33.4	0	0	0	111.4	S71 S72 I210 G264	S71-D266 WeakPolarHBondContact CB-OD1 3.27Å; S71-D266 PolarHBondContact N-OD1 3.08Å; S71-D266 PolarHBondContact N-OD2 2.81Å; S72-D266 VanDerWaalsContact N-CG 3.33Å; S72-D266 PolarHBondContact N-OD2 3.43Å; S72-D266 PolarHBondContact OG-OD2 2.96Å; I210-D266 PolarHBondContact N-O 2.89Å; G264-D266 VanDerWaalsContact C-N 3.32Å
267	T	90.3	Very high	92.9	Very high	47 Å²	47	45.3 Å²	45.3	29%	0.288	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.1	178.4	56.5	0	0	0	0	111.7	G208 T263 G264	G208-T267 WeakPolarHBondContact O-CA 3.18Å; T263-T267 PolarHBondContact N-O 2.81Å; G264-T267 PolarHBondContact N-O 2.79Å; G264-T267 PolarHBondContact N-OG1 3.41Å
268	A	92.1	Very high	92.9	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.2	174.2	0	0	0	0	0	110.5	V207 G208 I210 W243 V261	V207-A268 CarbonylContact C-O 3.55Å; V207-A268 VanDerWaalsContact CA-O 3.31Å; V207-A268 WeakPolarHBondContact CA-O 3.36Å; G208-A268 PolarHBondContact N-O 3.4Å; G208-A268 PolarHBondContact O-N 2.85Å; I210-A268 HydrophobicContact CD1-CB 3.96Å; W243-A268 HydrophobicContact CH2-CB 3.85Å; W243-A268 HydrophobicContact CZ3-CB 3.52Å; V261-A268 CarbonylContact O-C 3.18Å; V261-A268 WeakPolarHBondContact O-CA 3.48Å; V261-A268 WeakPolarHBondContact O-CB 3.47Å
269	C	93.8	Very high	92.8	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-169.6	160.6	69.4	0	0	0	0	109.2	L206 F260 V261 T263	L206-C269 WeakPolarHBondContact O-CA 3.48Å; F260-C269 WeakPolarHBondContact CA-O 3.47Å; V261-C269 PolarHBondContact N-O 2.9Å; V261-C269 PolarHBondContact O-N 2.71Å; T263-C269 PolarHBondContact OG1-N 3.45Å; T263-C269 PolarHBondContact OG1-SG 3.38Å; T263-C269 VanDerWaalsContact OG1-SG 3.35Å
270	V	96	Very high	92.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.8	172.8	-63.9	0	0	0	0	113.1	K202 I203 L206 I250 C258 K259 F260	K202-V270 WeakPolarHBondContact CA-O 3.19Å; I203-V270 HydrophobicContact CB-CG2 3.8Å; I203-V270 HydrophobicContact CD1-CG2 3.94Å; I203-V270 HydrophobicContact CG1-CG2 3.97Å; I203-V270 PolarHBondContact N-O 3.13Å; L206-V270 HydrophobicContact CB-CG2 4.41Å; L206-V270 HydrophobicContact CD2-CG2 3.75Å; L206-V270 HydrophobicContact CG-CG2 4.14Å; I250-V270 HydrophobicContact CD1-CG1 3.52Å; I250-V270 HydrophobicContact CD1-CG2 4.4Å; C258-V270 HydrophobicContact CB-CB 4.05Å; C258-V270 HydrophobicContact CB-CG1 4.47Å; C258-V270 HydrophobicContact CB-CG2 4.34Å; K259-V270 CarbonylContact O-C 3.58Å; K259-V270 VanDerWaalsContact O-CA 3.28Å; K259-V270 WeakPolarHBondContact O-CA 3.3Å; F260-V270 HydrophobicContact CD1-CG1 3.69Å; F260-V270 HydrophobicContact CE1-CG1 3.94Å
271	K	97.3	Very high	93	Very high	59 Å²	59	46.1 Å²	46.1	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.6	170.3	178.2	167.8	175.8	168.5	0	110	N200 D201 K259 V261	N200-K271 VanDerWaalsContact CA-CE 3.42Å; N200-K271 VanDerWaalsContact O-CE 3.22Å; N200-K271 WeakPolarHBondContact O-CE 3.24Å; N200-K271 WeakPolarHBondContact OD1-CE 3.29Å; N200-K271 PolarHBondContact OD1-NZ 2.98Å; D201-K271 CarbonylContact O-C 3.58Å; D201-K271 VanDerWaalsContact O-CA 3.32Å; D201-K271 WeakPolarHBondContact O-CA 3.28Å; K259-K271 PolarHBondContact N-O 2.58Å; K259-K271 PolarHBondContact O-N 2.85Å; V261-K271 HydrophobicContact CB-CB 4.46Å; V261-K271 HydrophobicContact CG1-CB 3.63Å; V261-K271 HydrophobicContact CG2-CB 3.93Å
272	V	98	Very high	93.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.6	-176.9	178.8	0	0	0	0	110.8	W197 K198 N200 D201 I203 R274 I276	W197-V272 HydrophobicContact CB-CG2 4.07Å; K198-V272 WeakPolarHBondContact O-CB 3.25Å; K198-V272 VanDerWaalsContact O-CG1 3.27Å; K198-V272 WeakPolarHBondContact O-CG1 3.28Å; N200-V272 WeakPolarHBondContact CA-O 3.48Å; N200-V272 PolarHBondContact N-O 2.83Å; D201-V272 HydrophobicContact CB-CB 4.39Å; D201-V272 HydrophobicContact CB-CG2 4.18Å; D201-V272 PolarHBondContact O-N 2.67Å; I203-V272 HydrophobicContact CD1-CG2 4.28Å; I203-V272 HydrophobicContact CG1-CG2 4.18Å; V272-R274 WeakPolarHBondContact CG1-O 3.24Å; V272-I276 HydrophobicContact CG1-CD1 3.87Å; V272-I276 HydrophobicContact CG1-CG1 3.89Å; V272-I276 HydrophobicContact CG2-CD1 4.08Å
273	L	97.2	Very high	93.7	Very high	58 Å²	58	40.3 Å²	40.3	30%	0.304	22%	0.224	S	C	.	.	S	Bend	trans	-95.9	-29.4	-176	-66.1	175.9	0	0	0	113.6	R199 P256 N257 C258 K259	R199-L273 VanDerWaalsContact CD-O 3.25Å; R199-L273 WeakPolarHBondContact CD-O 3.47Å; R199-L273 VanDerWaalsContact CG-O 3.28Å; R199-L273 WeakPolarHBondContact CG-O 3.34Å; R199-L273 PolarHBondContact NE-O 2.81Å; P256-L273 HydrophobicContact CG-CD1 3.91Å; N257-L273 WeakPolarHBondContact O-CB 3.28Å; N257-L273 PolarHBondContact O-N 3.06Å; C258-L273 WeakPolarHBondContact O-CD1 3.25Å; K259-L273 HydrophobicContact CB-CD1 4.32Å; K259-L273 HydrophobicContact CB-CD2 4.29Å; K259-L273 HydrophobicContact CB-CG 4.44Å; K259-L273 HydrophobicContact CD-CD2 3.78Å; K259-L273 HydrophobicContact CG-CD2 3.75Å; K259-L273 HydrophobicContact CG-CG 4.26Å
274	R	95.9	Very high	94.2	Very high	44 Å²	44	35.8 Å²	35.8	17%	0.166	20%	0.196	C	C	.	.	S	Bend	trans	-150.9	157	179.7	57.8	168.3	-176.8	85.8	-9.7	108.2	N257 V272 I276 E280 D334	N257-R274 HydrophobicContact CB-CG 4.06Å; V272-R274 WeakPolarHBondContact CG1-O 3.24Å; R274-I276 WeakPolarHBondContact O-CG1 3.17Å; R274-E280 IonicContact CZ-OE1 2.83Å; R274-E280 IonicContact NH1-OE1 2.81Å; R274-E280 PolarHBondContact NH1-OE1 2.82Å; R274-E280 IonicContact NH1-OE2 3.35Å; R274-E280 PolarHBondContact NH1-OE2 3.47Å; R274-E280 IonicContact NH2-OE1 2.72Å; R274-E280 PolarHBondContact NH2-OE1 3.4Å; R274-D334 WeakPolarHBondContact CD-OD1 3.39Å; R274-D334 IonicContact CZ-OD1 2.65Å; R274-D334 IonicContact NE-OD1 2.73Å; R274-D334 PolarHBondContact NE-OD1 3.02Å; R274-D334 VanDerWaalsContact NE-OD1 3.08Å; R274-D334 IonicContact NH1-OD1 2.72Å
275	D	96.5	Very high	94.8	Very high	73 Å²	73	38.4 Å²	38.4	39%	0.39	20%	0.198	S	C	.	.			trans	-56.4	143.5	-179.8	-50.2	-27.6	0	0	0	111.5	W197 R199	W197-D275 WeakPolarHBondContact O-CA 3.43Å; R199-D275 PolarHBondContact N-OD1 3.05Å
276	I	97.5	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-124.5	124.4	-175.8	-51.8	-175.7	0	0	0	108.3	A193 E196 W197 N257 V272 R274 E280 I282	A193-I276 HydrophobicContact CB-CG2 3.76Å; E196-I276 WeakPolarHBondContact CA-O 3.45Å; E196-I276 WeakPolarHBondContact CG-O 3.41Å; W197-I276 HydrophobicContact CB-CB 4.25Å; W197-I276 PolarHBondContact N-O 3.24Å; W197-I276 PolarHBondContact O-N 2.76Å; N257-I276 HydrophobicContact CB-CD1 3.82Å; N257-I276 HydrophobicContact CB-CG1 3.93Å; V272-I276 HydrophobicContact CG1-CD1 3.87Å; V272-I276 HydrophobicContact CG1-CG1 3.89Å; V272-I276 HydrophobicContact CG2-CD1 4.08Å; R274-I276 WeakPolarHBondContact O-CG1 3.17Å; I276-E280 HydrophobicContact CG2-CB 3.79Å; I276-E280 HydrophobicContact CG2-CG 4.33Å; I276-I282 HydrophobicContact CD1-CG1 4.41Å
277	E	96.1	Very high	95.7	Very high	58 Å²	58	32 Å²	32	27%	0.271	18%	0.18	S	C	.	.			trans	-82.5	151.2	176	-68.7	173.6	-124.6	0	0	111.3	G279 E280 N338 K342	E277-G279 PolarHBondContact O-N 2.95Å; E277-E280 WeakPolarHBondContact O-CB 3.48Å; E277-E280 PolarHBondContact O-N 3.31Å; E277-N338 WeakPolarHBondContact OE1-CB 3.15Å; E277-N338 PolarHBondContact OE1-ND2 3.34Å; E277-K342 IonicContact OE2-NZ 3.73Å; E277-K342 PolarHBondContact OE2-NZ 3.32Å
278	P	96.9	Very high	95.6	Very high	72 Å²	72	35.6 Å²	35.6	47%	0.468	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	136.3	166.7	-22.3	31.8	0	0	0	111.3	A193 E280	A193-P278 WeakPolarHBondContact O-CA 3.47Å; P278-E280 VanDerWaalsContact C-N 3.31Å
279	G	95.5	Very high	95.5	Very high	62 Å²	62	38.1 Å²	38.1	64%	0.639	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	-5.9	-172.1	0	0	0	0	0	114.8	A193 E277	A193-G279 PolarHBondContact O-N 3.46Å; E277-G279 PolarHBondContact O-N 2.95Å
280	E	96.4	Very high	95.3	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.056	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-80.7	132.5	174.1	-163.5	-174.8	140.4	0	0	111.5	A193 N257 R274 I276 E277 P278 I282 N338	A193-E280 PolarHBondContact N-O 3.2Å; N257-E280 PolarHBondContact ND2-OE1 2.83Å; R274-E280 IonicContact CZ-OE1 2.83Å; R274-E280 IonicContact NH1-OE1 2.81Å; R274-E280 PolarHBondContact NH1-OE1 2.82Å; R274-E280 IonicContact NH1-OE2 3.35Å; R274-E280 PolarHBondContact NH1-OE2 3.47Å; R274-E280 IonicContact NH2-OE1 2.72Å; R274-E280 PolarHBondContact NH2-OE1 3.4Å; I276-E280 HydrophobicContact CG2-CB 3.79Å; I276-E280 HydrophobicContact CG2-CG 4.33Å; E277-E280 WeakPolarHBondContact O-CB 3.48Å; E277-E280 PolarHBondContact O-N 3.31Å; P278-E280 VanDerWaalsContact C-N 3.31Å; E280-I282 PolarHBondContact O-N 2.82Å; E280-N338 PolarHBondContact OE2-ND2 3.19Å
281	E	97.9	Very high	95.1	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.07	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-66.7	124.8	176.8	-178.7	167.8	169.1	0	0	111.5	K190 N251 N257 S283	K190-E281 HydrophobicContact CD-CG 4.02Å; K190-E281 WeakPolarHBondContact CD-OE2 3.45Å; K190-E281 IonicContact NZ-OE2 3.06Å; K190-E281 PolarHBondContact NZ-OE2 2.84Å; N251-E281 PolarHBondContact ND2-OE1 3.18Å; N257-E281 PolarHBondContact ND2-O 3.08Å; E281-S283 PolarHBondContact O-N 2.93Å
282	I	97.9	Very high	94.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-76.1	124.1	175.6	-70.9	162.2	0	0	0	107.7	F174 I191 A193 I203 L206 I250 N257 C258 I276 E280	F174-I282 HydrophobicContact CB-CD1 3.88Å; I191-I282 HydrophobicContact CB-CB 4.43Å; I191-I282 HydrophobicContact CG2-CB 4.11Å; I191-I282 HydrophobicContact CG2-CD1 3.92Å; I191-I282 PolarHBondContact O-N 2.86Å; A193-I282 HydrophobicContact CB-CD1 4.05Å; A193-I282 HydrophobicContact CB-CG1 4.28Å; I203-I282 HydrophobicContact CD1-CD1 3.59Å; I203-I282 HydrophobicContact CD1-CG1 4.33Å; L206-I282 HydrophobicContact CD2-CD1 4.3Å; L206-I282 HydrophobicContact CD2-CG2 4.03Å; I250-I282 HydrophobicContact CD1-CG2 4.43Å; I250-I282 HydrophobicContact CG1-CG2 4.48Å; I250-I282 HydrophobicContact CG2-CG2 4.13Å; N257-I282 WeakPolarHBondContact OD1-CA 3.2Å; C258-I282 HydrophobicContact CB-CG2 4.21Å; I276-I282 HydrophobicContact CD1-CG1 4.41Å; E280-I282 PolarHBondContact O-N 2.82Å
283	S	97.8	Very high	94.5	Very high	13 Å²	13	49.4 Å²	49.4	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142	-171.8	48.5	0	0	0	0	110.9	N251 P256 N257 C258 E281	N251-S283 VanDerWaalsContact O-CA 3.32Å; N251-S283 WeakPolarHBondContact O-CA 3.38Å; P256-S283 VanDerWaalsContact CB-O 3.26Å; P256-S283 WeakPolarHBondContact CB-O 3.3Å; N257-S283 PolarHBondContact N-O 2.99Å; N257-S283 PolarHBondContact N-OG 3.39Å; N257-S283 PolarHBondContact OD1-N 2.88Å; N257-S283 PolarHBondContact OD1-O 3.2Å; N257-S283 PolarHBondContact OD1-OG 2.93Å; C258-S283 WeakPolarHBondContact CA-O 3.38Å; C258-S283 WeakPolarHBondContact CB-O 3.47Å; C258-S283 PolarHBondContact N-O 3.18Å; E281-S283 PolarHBondContact O-N 2.93Å
284	C	97.1	Very high	94.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	169.1	177	-88.6	0	0	0	0	110.5	I250 N251 H252 D253 F260	I250-C284 HydrophobicContact CG2-CB 3.81Å; N251-C284 PolarHBondContact O-N 2.92Å; H252-C284 CarbonylContact C-O 3.48Å; H252-C284 VanDerWaalsContact CA-O 3.31Å; H252-C284 WeakPolarHBondContact CA-O 3.26Å; D253-C284 PolarHBondContact N-O 3.19Å; F260-C284 HydrophobicContact CD2-CB 4.22Å; F260-C284 HydrophobicContact CE1-CB 4.47Å; F260-C284 HydrophobicContact CE2-CB 3.55Å; F260-C284 HydrophobicContact CZ-CB 3.7Å
285	Y	95.8	Very high	94.2	Very high	85 Å²	85	50 Å²	50	33%	0.333	30%	0.297	S	S	.	.			trans	-109.8	122.7	170.3	-178.6	-101.1	0	0	0	109.6	H252 G287 D288	H252-Y285 AromaticContact CE1-CD2 3.59Å; H252-Y285 AromaticContact CE1-CE2 3.82Å; H252-Y285 AromaticContact NE2-CD2 3.68Å; H252-Y285 AromaticContact NE2-CE2 3.87Å; Y285-G287 PolarHBondContact OH-O 2.73Å; Y285-D288 VanDerWaalsContact OH-CA 3.24Å; Y285-D288 WeakPolarHBondContact OH-CA 3.28Å; Y285-D288 PolarHBondContact OH-N 3.41Å; Y285-D288 PolarHBondContact OH-OD1 2.9Å
286	Y	93.3	Very high	94.1	Very high	50 Å²	50	50.2 Å²	50.2	20%	0.196	30%	0.296	C	S	.	.			trans	-83.6	-32	-173.2	-58	-3.5	0	0	0	112.8	I250 N251 H252 F290 F291	I250-Y286 WeakPolarHBondContact O-CE1 3.45Å; I250-Y286 PolarHBondContact O-OH 3.31Å; N251-Y286 WeakPolarHBondContact CA-OH 3.24Å; H252-Y286 HydrophobicContact CB-CD1 4.11Å; H252-Y286 HydrophobicContact CB-CD2 4.06Å; H252-Y286 HydrophobicContact CB-CE1 3.87Å; H252-Y286 HydrophobicContact CB-CE2 3.86Å; H252-Y286 HydrophobicContact CB-CG 4.2Å; H252-Y286 PolarHBondContact N-OH 3.17Å; H252-Y286 AromaticContact ND1-CD1 3.8Å; H252-Y286 AromaticContact ND1-CD2 3.74Å; H252-Y286 AromaticContact ND1-CG 3.39Å; H252-Y286 PolarHBondContact ND1-N 2.89Å; Y286-F290 AromaticContact CD2-CD1 3.71Å; Y286-F290 HydrophobicContact CD2-CD1 3.71Å; Y286-F290 AromaticContact CD2-CD2 3.67Å; Y286-F290 HydrophobicContact CD2-CD2 3.67Å; Y286-F290 AromaticContact CD2-CE1 3.68Å; Y286-F290 HydrophobicContact CD2-CE1 3.68Å; Y286-F290 AromaticContact CD2-CE2 3.63Å; Y286-F290 HydrophobicContact CD2-CE2 3.63Å; Y286-F290 AromaticContact CD2-CG 3.71Å; Y286-F290 HydrophobicContact CD2-CG 3.71Å; Y286-F290 AromaticContact CD2-CZ 3.63Å; Y286-F290 HydrophobicContact CD2-CZ 3.63Å; Y286-F290 HydrophobicContact CE2-CD1 4.32Å; Y286-F290 AromaticContact CE2-CE1 3.91Å; Y286-F290 HydrophobicContact CE2-CE1 3.91Å; Y286-F290 HydrophobicContact CE2-CE2 4.29Å; Y286-F290 AromaticContact CE2-CZ 3.89Å; Y286-F290 HydrophobicContact CE2-CZ 3.89Å; Y286-F290 HydrophobicContact CG-CD2 4.25Å; Y286-F290 HydrophobicContact CG-CE2 4.44Å; Y286-F290 HydrophobicContact CG-CG 4.42Å; Y286-F291 HydrophobicContact CD2-CE2 4.16Å; Y286-F291 HydrophobicContact CD2-CZ 4.46Å; Y286-F291 HydrophobicContact CE2-CE2 4.36Å; Y286-F291 HydrophobicContact CE2-CZ 4.26Å
287	G	90.6	Very high	93.9	Very high	20 Å²	20	55.9 Å²	55.9	21%	0.206	32%	0.321	C	S	.	.			trans	147.8	168.1	-174.9	0	0	0	0	0	112.4	Y285 G289 N295	Y285-G287 PolarHBondContact OH-O 2.73Å; G287-G289 VanDerWaalsContact C-N 3.32Å; G287-G289 PolarHBondContact O-N 2.65Å; G287-N295 PolarHBondContact O-ND2 3.44Å; G287-N295 PolarHBondContact O-OD1 2.98Å
288	D	89.1	Confident	93.9	Very high	122 Å²	122	53.1 Å²	53.1	65%	0.652	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.1	-173.7	-56	-97	0	0	0	115.4	Y285 S294 N295	Y285-D288 VanDerWaalsContact OH-CA 3.24Å; Y285-D288 WeakPolarHBondContact OH-CA 3.28Å; Y285-D288 PolarHBondContact OH-N 3.41Å; Y285-D288 PolarHBondContact OH-OD1 2.9Å; D288-S294 CarbonylContact O-C 2.88Å; D288-S294 WeakPolarHBondContact O-CA 3.18Å; D288-S294 PolarHBondContact O-N 3.34Å; D288-N295 PolarHBondContact O-N 3.44Å; D288-N295 VanDerWaalsContact O-N 3.07Å
289	G	88.2	Confident	93.9	Very high	54 Å²	54	51.6 Å²	51.6	56%	0.557	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	27	-172.3	0	0	0	0	0	114.5	G287 G292	G287-G289 VanDerWaalsContact C-N 3.32Å; G287-G289 PolarHBondContact O-N 2.65Å; G289-G292 CarbonylContact C-O 3.54Å; G289-G292 WeakPolarHBondContact CA-O 3.46Å
290	F	90.1	Very high	94	Very high	69 Å²	69	48.6 Å²	48.6	30%	0.303	26%	0.264	S	S	.	.	S	Bend	trans	-76.1	-46	-179.6	-169.2	-79.5	0	0	0	111.1	V231 Y286 G292 N295	V231-F290 WeakPolarHBondContact O-CE2 3.42Å; Y286-F290 AromaticContact CD2-CD1 3.71Å; Y286-F290 HydrophobicContact CD2-CD1 3.71Å; Y286-F290 AromaticContact CD2-CD2 3.67Å; Y286-F290 HydrophobicContact CD2-CD2 3.67Å; Y286-F290 AromaticContact CD2-CE1 3.68Å; Y286-F290 HydrophobicContact CD2-CE1 3.68Å; Y286-F290 AromaticContact CD2-CE2 3.63Å; Y286-F290 HydrophobicContact CD2-CE2 3.63Å; Y286-F290 AromaticContact CD2-CG 3.71Å; Y286-F290 HydrophobicContact CD2-CG 3.71Å; Y286-F290 AromaticContact CD2-CZ 3.63Å; Y286-F290 HydrophobicContact CD2-CZ 3.63Å; Y286-F290 HydrophobicContact CE2-CD1 4.32Å; Y286-F290 AromaticContact CE2-CE1 3.91Å; Y286-F290 HydrophobicContact CE2-CE1 3.91Å; Y286-F290 HydrophobicContact CE2-CE2 4.29Å; Y286-F290 AromaticContact CE2-CZ 3.89Å; Y286-F290 HydrophobicContact CE2-CZ 3.89Å; Y286-F290 HydrophobicContact CG-CD2 4.25Å; Y286-F290 HydrophobicContact CG-CE2 4.44Å; Y286-F290 HydrophobicContact CG-CG 4.42Å; F290-G292 PolarHBondContact O-N 2.72Å; F290-N295 PolarHBondContact N-OD1 3.23Å
291	F	92.8	Very high	93.9	Very high	41 Å²	41	51.3 Å²	51.3	18%	0.18	27%	0.274	C	S	.	.	S	Bend	trans	-97.9	57.5	179.1	-62.9	-83.3	0	0	0	110.8	H252 Y286 N295 E296 F297 C298	H252-F291 HydrophobicContact CB-CE2 3.61Å; H252-F291 HydrophobicContact CB-CZ 4.06Å; H252-F291 AromaticContact CG-CE2 3.55Å; H252-F291 AromaticContact ND1-CE2 3.65Å; Y286-F291 HydrophobicContact CD2-CE2 4.16Å; Y286-F291 HydrophobicContact CD2-CZ 4.46Å; Y286-F291 HydrophobicContact CE2-CE2 4.36Å; Y286-F291 HydrophobicContact CE2-CZ 4.26Å; F291-N295 HydrophobicContact CB-CB 4.37Å; F291-N295 PolarHBondContact N-OD1 3.12Å; F291-N295 CarbonylContact O-C 3.31Å; F291-N295 WeakPolarHBondContact O-CA 3.22Å; F291-E296 PolarHBondContact O-N 3.05Å; F291-E296 VanDerWaalsContact O-N 3.08Å; F291-F297 HydrophobicContact CB-CB 4.28Å; F291-F297 WeakPolarHBondContact O-CD2 3.5Å; F291-F297 PolarHBondContact O-N 3.48Å; F291-C298 HydrophobicContact CB-CB 3.92Å; F291-C298 HydrophobicContact CD2-CB 4.06Å; F291-C298 HydrophobicContact CG-CB 4.07Å
292	G	90.6	Very high	93.8	Very high	27 Å²	27	50.6 Å²	50.6	28%	0.278	27%	0.271	S	S	.	.	S	Bend	trans	73.5	-174.1	-172.3	0	0	0	0	0	113.4	G289 F290 S294 N295	G289-G292 CarbonylContact C-O 3.54Å; G289-G292 WeakPolarHBondContact CA-O 3.46Å; F290-G292 PolarHBondContact O-N 2.72Å; G292-S294 PolarHBondContact O-N 2.93Å; G292-N295 PolarHBondContact O-N 2.66Å; G292-N295 VanDerWaalsContact O-N 3.09Å
293	E	91	Very high	93.7	Very high	162 Å²	162	50.8 Å²	50.8	76%	0.757	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-64.6	128.2	-174.8	-68.5	-169.2	-169.2	0	0	111.5	N295 E296	E293-N295 PolarHBondContact O-N 2.95Å; E293-E296 WeakPolarHBondContact O-CB 3.45Å; E293-E296 PolarHBondContact O-N 2.94Å; E293-E296 VanDerWaalsContact O-N 3.14Å
294	S	92.1	Very high	93.5	Very high	108 Å²	108	54.4 Å²	54.4	76%	0.755	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	52.5	33.6	-174	-51.1	0	0	0	0	113.5	D288 G292 E296	D288-S294 CarbonylContact O-C 2.88Å; D288-S294 WeakPolarHBondContact O-CA 3.18Å; D288-S294 PolarHBondContact O-N 3.34Å; G292-S294 PolarHBondContact O-N 2.93Å; S294-E296 VanDerWaalsContact C-N 3.29Å; S294-E296 PolarHBondContact O-N 3.31Å
295	N	94.3	Very high	93.4	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.037	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	52.9	40.1	-176.1	-71.8	-35.3	0	0	0	113.7	G287 D288 F290 F291 G292 E293 F297 C298 G309	G287-N295 PolarHBondContact O-ND2 3.44Å; G287-N295 PolarHBondContact O-OD1 2.98Å; D288-N295 PolarHBondContact O-N 3.44Å; D288-N295 VanDerWaalsContact O-N 3.07Å; F290-N295 PolarHBondContact N-OD1 3.23Å; F291-N295 HydrophobicContact CB-CB 4.37Å; F291-N295 PolarHBondContact N-OD1 3.12Å; F291-N295 CarbonylContact O-C 3.31Å; F291-N295 WeakPolarHBondContact O-CA 3.22Å; G292-N295 PolarHBondContact O-N 2.66Å; G292-N295 VanDerWaalsContact O-N 3.09Å; E293-N295 PolarHBondContact O-N 2.95Å; N295-F297 PolarHBondContact O-N 3.02Å; N295-C298 HydrophobicContact CB-CB 3.91Å; N295-C298 VanDerWaalsContact O-CB 3.23Å; N295-C298 WeakPolarHBondContact O-CB 3.35Å; N295-C298 PolarHBondContact O-N 2.89Å; N295-G309 WeakPolarHBondContact O-CA 3.44Å
296	E	94.6	Very high	93.2	Very high	77 Å²	77	60.3 Å²	60.3	36%	0.36	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.4	-178.2	68.5	173.7	148.1	0	0	115.8	F291 E293 S294 G309 A310	F291-E296 PolarHBondContact O-N 3.05Å; F291-E296 VanDerWaalsContact O-N 3.08Å; E293-E296 WeakPolarHBondContact O-CB 3.45Å; E293-E296 PolarHBondContact O-N 2.94Å; E293-E296 VanDerWaalsContact O-N 3.14Å; S294-E296 VanDerWaalsContact C-N 3.29Å; S294-E296 PolarHBondContact O-N 3.31Å; E296-G309 CarbonylContact O-C 3.53Å; E296-G309 WeakPolarHBondContact O-CA 3.18Å; E296-A310 PolarHBondContact O-N 3.26Å
297	F	94.6	Very high	93.2	Very high	119 Å²	119	59.2 Å²	59.2	52%	0.522	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	12.3	174.8	-51.5	-60	0	0	0	112.9	F291 N295 E299	F291-F297 HydrophobicContact CB-CB 4.28Å; F291-F297 WeakPolarHBondContact O-CD2 3.5Å; F291-F297 PolarHBondContact O-N 3.48Å; N295-F297 PolarHBondContact O-N 3.02Å; F297-E299 PolarHBondContact O-N 3.12Å
298	C	96.5	Very high	93.4	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.007	32%	0.319	C	S	.	.			trans	-72	126.1	-177	178.8	0	0	0	0	112.3	F291 N295 C300 C303 G309 A310	F291-C298 HydrophobicContact CB-CB 3.92Å; F291-C298 HydrophobicContact CD2-CB 4.06Å; F291-C298 HydrophobicContact CG-CB 4.07Å; N295-C298 HydrophobicContact CB-CB 3.91Å; N295-C298 VanDerWaalsContact O-CB 3.23Å; N295-C298 WeakPolarHBondContact O-CB 3.35Å; N295-C298 PolarHBondContact O-N 2.89Å; C298-C300 PolarHBondContact SG-SG 2.9Å; C298-C303 WeakPolarHBondContact O-CB 3.27Å; C298-G309 WeakPolarHBondContact O-CA 3.34Å; C298-A310 PolarHBondContact O-N 3.44Å
299	E	96.9	Very high	93.7	Very high	39 Å²	39	55.2 Å²	55.2	18%	0.182	29%	0.29	C	S	.	.			trans	-101.5	15.4	-177	-69.1	175.1	158.9	0	0	113.1	R181 Y182 S183 F297 A310 F311	R181-E299 PolarHBondContact NE-O 2.94Å; R181-E299 PolarHBondContact NH2-O 2.9Å; Y182-E299 VanDerWaalsContact CA-OE2 3.25Å; Y182-E299 WeakPolarHBondContact CA-OE2 3.37Å; Y182-E299 HydrophobicContact CD1-CB 3.91Å; Y182-E299 HydrophobicContact CE1-CB 4.32Å; S183-E299 VanDerWaalsContact CB-OE1 3.27Å; S183-E299 WeakPolarHBondContact CB-OE1 3.49Å; S183-E299 PolarHBondContact N-OE2 2.9Å; S183-E299 PolarHBondContact OG-OE1 3.45Å; S183-E299 PolarHBondContact OG-OE2 2.95Å; F297-E299 PolarHBondContact O-N 3.12Å; E299-A310 HydrophobicContact CG-CB 3.67Å; E299-F311 HydrophobicContact CB-CE2 4.4Å; E299-F311 HydrophobicContact CB-CZ 4.39Å
300	C	96.8	Very high	94	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.			trans	-67.1	161.2	-177.8	76.5	0	0	0	0	114.2	R181 H252 D253 C254 C298 T302 C303 E304	R181-C300 VanDerWaalsContact NH2-C 3.34Å; R181-C300 PolarHBondContact NH2-O 3.37Å; H252-C300 WeakPolarHBondContact O-CB 3.49Å; D253-C300 HydrophobicContact CB-CB 4.03Å; D253-C300 WeakPolarHBondContact OD2-CB 3.28Å; C254-C300 PolarHBondContact N-SG 2.94Å; C254-C300 VanDerWaalsContact N-SG 3.37Å; C298-C300 PolarHBondContact SG-SG 2.9Å; C300-T302 VanDerWaalsContact C-N 3.26Å; C300-T302 PolarHBondContact O-N 3.18Å; C300-C303 WeakPolarHBondContact O-CB 3.42Å; C300-C303 PolarHBondContact O-N 3.13Å; C300-C303 PolarHBondContact SG-N 3.24Å; C300-C303 VanDerWaalsContact SG-SG 3.64Å; C300-E304 PolarHBondContact O-N 3.07Å; C300-E304 VanDerWaalsContact O-N 3.07Å
301	Y	95.1	Very high	94.1	Very high	68 Å²	68	55.3 Å²	55.3	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-30.8	-179.4	-71.1	-80.1	0	0	0	112.8	R181 D253 R305	R181-Y301 VanDerWaalsContact NH1-CD1 3.31Å; D253-Y301 PolarHBondContact OD2-N 3.13Å; Y301-R305 VanDerWaalsContact O-CG 3.29Å; Y301-R305 WeakPolarHBondContact O-CG 3.38Å; Y301-R305 PolarHBondContact O-N 3.09Å; Y301-R305 PolarHBondContact O-NE 2.87Å
302	T	94.8	Very high	94	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-70.5	-34.9	172.2	-67.2	0	0	0	0	113	D253 C254 R255 C300 R305 R306	D253-T302 WeakPolarHBondContact OD1-CB 3.44Å; D253-T302 PolarHBondContact OD1-OG1 2.98Å; D253-T302 PolarHBondContact OD2-N 3.14Å; D253-T302 PolarHBondContact OD2-OG1 3.26Å; C254-T302 HydrophobicContact CB-CG2 4.14Å; R255-T302 HydrophobicContact CB-CG2 3.86Å; C300-T302 VanDerWaalsContact C-N 3.26Å; C300-T302 PolarHBondContact O-N 3.18Å; T302-R305 PolarHBondContact OG1-NH2 3.37Å; T302-R306 WeakPolarHBondContact O-CB 3.38Å; T302-R306 VanDerWaalsContact O-CG 3.3Å; T302-R306 WeakPolarHBondContact O-CG 3.49Å; T302-R306 PolarHBondContact O-N 2.67Å
303	C	95.8	Very high	93.3	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.027	31%	0.306	C	S	.	.	H	α-helix	trans	-68.6	-44.5	176.9	-83.4	0	0	0	0	111.6	C298 C300 R306 G307 T308 F311	C298-C303 WeakPolarHBondContact O-CB 3.27Å; C300-C303 WeakPolarHBondContact O-CB 3.42Å; C300-C303 PolarHBondContact O-N 3.13Å; C300-C303 PolarHBondContact SG-N 3.24Å; C300-C303 VanDerWaalsContact SG-SG 3.64Å; C303-R306 PolarHBondContact O-N 3.44Å; C303-G307 PolarHBondContact O-N 2.91Å; C303-G307 VanDerWaalsContact O-N 3.12Å; C303-T308 CarbonylContact C-O 3.54Å; C303-T308 WeakPolarHBondContact CA-OG1 3.47Å; C303-T308 WeakPolarHBondContact CB-O 3.38Å; C303-T308 PolarHBondContact O-N 3.49Å; C303-T308 PolarHBondContact O-OG1 3.04Å; C303-F311 HydrophobicContact CB-CD2 4.07Å; C303-F311 HydrophobicContact CB-CE2 4.38Å
304	E	94.6	Very high	91.8	Very high	89 Å²	89	62.1 Å²	62.1	42%	0.416	31%	0.312	S	S	.	.	H	α-helix	trans	-53.8	-56	175.1	-173.9	-178.3	178.4	0	0	111.9	R181 C300 R306 G307 F311	R181-E304 IonicContact CZ-OE2 2.67Å; R181-E304 IonicContact NH1-OE2 3.67Å; R181-E304 PolarHBondContact NH1-OE2 2.89Å; R181-E304 IonicContact NH2-OE2 3.44Å; R181-E304 PolarHBondContact NH2-OE2 3.49Å; C300-E304 PolarHBondContact O-N 3.07Å; C300-E304 VanDerWaalsContact O-N 3.07Å; E304-R306 PolarHBondContact O-N 2.71Å; E304-G307 PolarHBondContact O-N 3.38Å; E304-F311 HydrophobicContact CB-CD1 4.45Å; E304-F311 HydrophobicContact CB-CD2 3.85Å; E304-F311 HydrophobicContact CB-CE1 4.29Å; E304-F311 HydrophobicContact CB-CE2 3.63Å; E304-F311 HydrophobicContact CB-CG 4.24Å; E304-F311 HydrophobicContact CB-CZ 3.89Å; E304-F311 HydrophobicContact CG-CD1 4.35Å; E304-F311 HydrophobicContact CG-CE1 4.17Å; E304-F311 HydrophobicContact CG-CE2 4.39Å; E304-F311 HydrophobicContact CG-CZ 4.19Å; E304-F311 VanDerWaalsContact N-CD2 3.25Å
305	R	93	Very high	89.7	Confident	93 Å²	93	61.1 Å²	61.1	35%	0.351	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-20.1	-179.6	-70.7	177.2	-63.1	-166.1	6	114.6	Y301 T302	Y301-R305 VanDerWaalsContact O-CG 3.29Å; Y301-R305 WeakPolarHBondContact O-CG 3.38Å; Y301-R305 PolarHBondContact O-N 3.09Å; Y301-R305 PolarHBondContact O-NE 2.87Å; T302-R305 PolarHBondContact OG1-NH2 3.37Å
306	R	93.2	Very high	87.4	Confident	115 Å²	115	64.7 Å²	64.7	43%	0.434	35%	0.349	S	S	.	.	H	α-helix	trans	-108	-2.6	-174.8	-67.9	178.1	178.1	178.7	0.6	113.6	T302 C303 E304 T308 E332	T302-R306 WeakPolarHBondContact O-CB 3.38Å; T302-R306 VanDerWaalsContact O-CG 3.3Å; T302-R306 WeakPolarHBondContact O-CG 3.49Å; T302-R306 PolarHBondContact O-N 2.67Å; C303-R306 PolarHBondContact O-N 3.44Å; E304-R306 PolarHBondContact O-N 2.71Å; R306-T308 VanDerWaalsContact C-N 3.27Å; R306-T308 HydrophobicContact CB-CG2 4.12Å; R306-T308 PolarHBondContact O-N 3.21Å; R306-E332 IonicContact CZ-OE1 3.73Å; R306-E332 IonicContact CZ-OE2 3.92Å; R306-E332 IonicContact NE-OE1 2.72Å; R306-E332 PolarHBondContact NE-OE1 3.35Å; R306-E332 IonicContact NE-OE2 3.28Å; R306-E332 IonicContact NH2-OE1 3Å; R306-E332 PolarHBondContact NH2-OE1 2.93Å; R306-E332 IonicContact NH2-OE2 3.53Å; R306-E332 PolarHBondContact NH2-OE2 2.6Å
307	G	92.9	Very high	84.9	Confident	27 Å²	27	67.7 Å²	67.7	28%	0.278	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	36.5	-171.5	0	0	0	0	0	112.6	C303 E304 F311 K312	C303-G307 PolarHBondContact O-N 2.91Å; C303-G307 VanDerWaalsContact O-N 3.12Å; E304-G307 PolarHBondContact O-N 3.38Å; G307-F311 CarbonylContact C-O 3.52Å; G307-K312 WeakPolarHBondContact O-CA 3.44Å
308	T	94.1	Very high	82.4	Confident	54 Å²	54	67.8 Å²	67.8	33%	0.331	38%	0.379	S	S	.	.			trans	-123.4	178.4	-177.4	57.4	0	0	0	0	111.1	C303 R306 A310 F311	C303-T308 CarbonylContact C-O 3.54Å; C303-T308 WeakPolarHBondContact CA-OG1 3.47Å; C303-T308 WeakPolarHBondContact CB-O 3.38Å; C303-T308 PolarHBondContact O-N 3.49Å; C303-T308 PolarHBondContact O-OG1 3.04Å; R306-T308 VanDerWaalsContact C-N 3.27Å; R306-T308 HydrophobicContact CB-CG2 4.12Å; R306-T308 PolarHBondContact O-N 3.21Å; T308-A310 PolarHBondContact O-N 3.37Å; T308-F311 WeakPolarHBondContact O-CB 3.2Å; T308-F311 PolarHBondContact O-N 3.39Å; T308-F311 VanDerWaalsContact O-N 3.12Å
309	G	94.8	Very high	80.1	Confident	4 Å²	4	72.2 Å²	72.2	4%	0.041	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	55.8	-137.9	-169.9	0	0	0	0	0	111.3	N295 E296 C298 F311 K312	N295-G309 WeakPolarHBondContact O-CA 3.44Å; E296-G309 CarbonylContact O-C 3.53Å; E296-G309 WeakPolarHBondContact O-CA 3.18Å; C298-G309 WeakPolarHBondContact O-CA 3.34Å; G309-F311 PolarHBondContact O-N 3.18Å; G309-F311 VanDerWaalsContact O-N 3.08Å; G309-K312 VanDerWaalsContact O-CG 3.25Å; G309-K312 WeakPolarHBondContact O-CG 3.27Å; G309-K312 PolarHBondContact O-N 3.41Å; G309-K312 VanDerWaalsContact O-N 3.12Å
310	A	94.4	Very high	77.8	Confident	47 Å²	47	79.3 Å²	79.3	39%	0.388	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-59.5	-21.2	178.4	0	0	0	0	0	113.3	E296 C298 E299 T308 K312	E296-A310 PolarHBondContact O-N 3.26Å; C298-A310 PolarHBondContact O-N 3.44Å; E299-A310 HydrophobicContact CG-CB 3.67Å; T308-A310 PolarHBondContact O-N 3.37Å; A310-K312 VanDerWaalsContact C-N 3.33Å; A310-K312 PolarHBondContact O-N 2.89Å
311	F	94.1	Very high	75.6	Confident	79 Å²	79	82.2 Å²	82.2	35%	0.346	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-88.5	9.7	-179.2	-47.3	-82.7	0	0	0	113.9	E299 C303 E304 G307 T308 G309 S313	E299-F311 HydrophobicContact CB-CE2 4.4Å; E299-F311 HydrophobicContact CB-CZ 4.39Å; C303-F311 HydrophobicContact CB-CD2 4.07Å; C303-F311 HydrophobicContact CB-CE2 4.38Å; E304-F311 HydrophobicContact CB-CD1 4.45Å; E304-F311 HydrophobicContact CB-CD2 3.85Å; E304-F311 HydrophobicContact CB-CE1 4.29Å; E304-F311 HydrophobicContact CB-CE2 3.63Å; E304-F311 HydrophobicContact CB-CG 4.24Å; E304-F311 HydrophobicContact CB-CZ 3.89Å; E304-F311 HydrophobicContact CG-CD1 4.35Å; E304-F311 HydrophobicContact CG-CE1 4.17Å; E304-F311 HydrophobicContact CG-CE2 4.39Å; E304-F311 HydrophobicContact CG-CZ 4.19Å; E304-F311 VanDerWaalsContact N-CD2 3.25Å; G307-F311 CarbonylContact C-O 3.52Å; T308-F311 WeakPolarHBondContact O-CB 3.2Å; T308-F311 PolarHBondContact O-N 3.39Å; T308-F311 VanDerWaalsContact O-N 3.12Å; G309-F311 PolarHBondContact O-N 3.18Å; G309-F311 VanDerWaalsContact O-N 3.08Å; F311-S313 PolarHBondContact O-N 2.9Å; F311-S313 VanDerWaalsContact O-N 3.14Å
312	K	90.8	Very high	73.3	Confident	101 Å²	101	84.3 Å²	84.3	44%	0.439	48%	0.479	S	S	.	.			trans	-62.4	109.9	166.6	-70.7	169.7	-170.8	172.3	0	109	G307 G309 A310 K314	G307-K312 WeakPolarHBondContact O-CA 3.44Å; G309-K312 VanDerWaalsContact O-CG 3.25Å; G309-K312 WeakPolarHBondContact O-CG 3.27Å; G309-K312 PolarHBondContact O-N 3.41Å; G309-K312 VanDerWaalsContact O-N 3.12Å; A310-K312 VanDerWaalsContact C-N 3.33Å; A310-K312 PolarHBondContact O-N 2.89Å; K312-K314 PolarHBondContact O-N 3.02Å
313	S	75.6	Confident	71	Confident	70 Å²	70	90.1 Å²	90.1	49%	0.49	51%	0.514	S	S	.	.			trans	-62.6	110.9	177.7	44.5	0	0	0	0	111.2	F311 A315	F311-S313 PolarHBondContact O-N 2.9Å; F311-S313 VanDerWaalsContact O-N 3.14Å; S313-A315 PolarHBondContact O-N 3.45Å
314	K	58.3	Low	68.9	Low	201 Å²	201	94 Å²	94	87%	0.874	53%	0.534	S	S	*	.	S	Bend	trans	-68.3	118.3	173	-73.2	-177.5	177.9	175.9	0	108.8	K312	K312-K314 PolarHBondContact O-N 3.02Å
315	A	47.9	Very low	66.5	Low	87 Å²	87	97.1 Å²	97.1	72%	0.719	55%	0.553	S	S	*	*	S	Bend	trans	64	92.1	-177.7	0	0	0	0	0	116.1	S313 L317	S313-A315 PolarHBondContact O-N 3.45Å; A315-L317 PolarHBondContact O-N 3.25Å
316	G	45.6	Very low	64.3	Low	83 Å²	83	94.2 Å²	94.2	86%	0.856	55%	0.547	S	S	*	.	S	Bend	trans	69	-18.5	130.3	0	0	0	0	0	120.3
317	L	43.5	Very low	61.9	Low	140 Å²	140	98.4 Å²	98.4	73%	0.733	57%	0.569	S	S	*	*			trans	-81.6	133.4	177.2	-69.2	170.1	0	0	0	109.9	A315 V319	A315-L317 PolarHBondContact O-N 3.25Å; L317-V319 PolarHBondContact O-N 3.2Å
318	P	41.9	Very low	59.6	Low	120 Å²	120	106.1 Å²	106.1	78%	0.779	59%	0.591	S	S	*	*			trans	-69.8	98.7	171.9	29.6	-32.5	0	0	0	108.6	E320	P318-E320 PolarHBondContact O-N 2.89Å
319	V	48.6	Very low	57.5	Low	95 Å²	95	105.8 Å²	105.8	58%	0.576	60%	0.598	S	S	*	*			trans	-56	129.2	154.7	176.3	0	0	0	0	106.3	L317 V321	L317-V319 PolarHBondContact O-N 3.2Å; V319-V321 PolarHBondContact O-N 3.32Å
320	E	47.4	Very low	55.2	Low	187 Å²	187	114.1 Å²	114.1	87%	0.874	64%	0.641	S	S	*	*			trans	-69.9	73.4	168.5	-67.4	-162	145.5	0	0	109.5	P318 P322	P318-E320 PolarHBondContact O-N 2.89Å; E320-P322 WeakPolarHBondContact O-CD 3.37Å
321	V	50.9	Low	52.9	Low	61 Å²	61	121.4 Å²	121.4	37%	0.37	66%	0.658	S	S	.	*			trans	-49.6	127.5	155.7	179.5	0	0	0	0	105.5	V319 V323	V319-V321 PolarHBondContact O-N 3.32Å; V321-V323 VanDerWaalsContact C-N 3.29Å; V321-V323 WeakPolarHBondContact O-CG2 3.32Å; V321-V323 PolarHBondContact O-N 2.92Å
322	P	47.9	Very low	51	Low	113 Å²	113	120.4 Å²	120.4	73%	0.734	66%	0.655	S	S	*	*			trans	-58.9	95	176.3	-26.7	36	0	0	0	109.6	E320 I324	E320-P322 WeakPolarHBondContact O-CD 3.37Å; P322-I324 WeakPolarHBondContact O-CG1 3.31Å; P322-I324 PolarHBondContact O-N 3.43Å
323	V	44.8	Very low	49.7	Very low	122 Å²	122	118.8 Å²	118.8	74%	0.739	65%	0.653	S	S	*	*			trans	-66.1	103.1	-175.5	177.5	0	0	0	0	106.1	V321 N325	V321-V323 VanDerWaalsContact C-N 3.29Å; V321-V323 WeakPolarHBondContact O-CG2 3.32Å; V321-V323 PolarHBondContact O-N 2.92Å; V323-N325 PolarHBondContact O-N 3Å
324	I	52.2	Low	49.2	Very low	86 Å²	86	117.4 Å²	117.4	44%	0.441	64%	0.64	S	S	.	*			trans	-69.2	77.6	176.5	-55.9	-177.4	0	0	0	107	P322 S326 L340	P322-I324 WeakPolarHBondContact O-CG1 3.31Å; P322-I324 PolarHBondContact O-N 3.43Å; I324-S326 VanDerWaalsContact C-N 3.26Å; I324-S326 PolarHBondContact O-N 2.63Å; I324-S326 PolarHBondContact O-OG 3.39Å; I324-S326 VanDerWaalsContact O-OG 3.07Å; I324-L340 HydrophobicContact CD1-CD1 3.97Å
325	N	44.1	Very low	49.7	Very low	154 Å²	154	115 Å²	115	82%	0.824	63%	0.63	S	S	*	*			trans	-66.5	87.6	-168.5	-173.3	1.3	0	0	0	109.7	V323	V323-N325 PolarHBondContact O-N 3Å
326	S	46.5	Very low	50.6	Low	32 Å²	32	114.7 Å²	114.7	22%	0.224	61%	0.61	C	S	.	*			trans	-145.9	125.3	174.8	48.6	0	0	0	0	106.7	I324 Y328 G329 R336	I324-S326 VanDerWaalsContact C-N 3.26Å; I324-S326 PolarHBondContact O-N 2.63Å; I324-S326 PolarHBondContact O-OG 3.39Å; I324-S326 VanDerWaalsContact O-OG 3.07Å; S326-Y328 PolarHBondContact O-N 3.46Å; S326-G329 PolarHBondContact O-N 2.99Å; S326-R336 PolarHBondContact OG-NH1 2.83Å; S326-R336 PolarHBondContact OG-NH2 3.23Å
327	K	43.8	Very low	51.8	Low	203 Å²	203	111.4 Å²	111.4	88%	0.883	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	13.8	172.1	-158.1	171.8	178.7	178	0	113.9
328	Y	44.4	Very low	52.8	Low	189 Å²	189	105.4 Å²	105.4	74%	0.741	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	25.5	-175.4	-67.1	-77.2	0	0	0	111.4	S326 L330 R331	S326-Y328 PolarHBondContact O-N 3.46Å; Y328-L330 PolarHBondContact O-N 2.74Å; Y328-R331 PolarHBondContact O-N 2.95Å
329	G	49.3	Very low	54	Low	48 Å²	48	107.5 Å²	107.5	50%	0.495	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.8	-179.1	0	0	0	0	0	115.1	S326 R331	S326-G329 PolarHBondContact O-N 2.99Å; G329-R331 PolarHBondContact O-N 3.42Å
330	L	46.6	Very low	54.8	Low	179 Å²	179	107 Å²	107	94%	0.937	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-2.6	176.2	-149.3	78.7	0	0	0	114.7	Y328	Y328-L330 PolarHBondContact O-N 2.74Å
331	R	47.8	Very low	55.7	Low	199 Å²	199	101.5 Å²	101.5	75%	0.751	50%	0.501	S	S	*	.			trans	-126.6	77.5	174.2	-66.5	-172.9	179.4	-179.1	0.5	111.3	Y328 G329 T333	Y328-R331 PolarHBondContact O-N 2.95Å; G329-R331 PolarHBondContact O-N 3.42Å; R331-T333 HydrophobicContact CB-CG2 4.19Å; R331-T333 PolarHBondContact O-N 3.37Å
332	E	54.3	Low	56.3	Low	58 Å²	58	104 Å²	104	27%	0.271	51%	0.507	S	S	.	.			trans	-60.5	74.9	155.9	-72.1	-178.3	167.9	0	0	109.4	R255 R306 L337	R255-E332 VanDerWaalsContact CZ-O 3.25Å; R255-E332 IonicContact CZ-OE2 3.45Å; R255-E332 PolarHBondContact NH1-O 2.93Å; R255-E332 IonicContact NH1-OE2 3.71Å; R255-E332 PolarHBondContact NH1-OE2 3.29Å; R255-E332 PolarHBondContact NH2-O 2.95Å; R306-E332 IonicContact CZ-OE1 3.73Å; R306-E332 IonicContact CZ-OE2 3.92Å; R306-E332 IonicContact NE-OE1 2.72Å; R306-E332 PolarHBondContact NE-OE1 3.35Å; R306-E332 IonicContact NE-OE2 3.28Å; R306-E332 IonicContact NH2-OE1 3Å; R306-E332 PolarHBondContact NH2-OE1 2.93Å; R306-E332 IonicContact NH2-OE2 3.53Å; R306-E332 PolarHBondContact NH2-OE2 2.6Å; E332-L337 HydrophobicContact CB-CD1 4.45Å
333	T	63.3	Low	56.8	Low	67 Å²	67	104.7 Å²	104.7	41%	0.411	50%	0.504	S	S	.	.			trans	-75.9	141	174.8	57.9	0	0	0	0	110.3	R331 K335 R336 L337	R331-T333 HydrophobicContact CB-CG2 4.19Å; R331-T333 PolarHBondContact O-N 3.37Å; T333-K335 PolarHBondContact O-N 3.42Å; T333-R336 WeakPolarHBondContact O-CA 3.25Å; T333-R336 VanDerWaalsContact O-CB 3.29Å; T333-R336 WeakPolarHBondContact O-CB 3.17Å; T333-R336 PolarHBondContact O-N 2.94Å; T333-L337 PolarHBondContact O-N 3.4Å; T333-L337 VanDerWaalsContact O-N 3.15Å
334	D	64.9	Low	57.1	Low	41 Å²	41	101.1 Å²	101.1	22%	0.219	49%	0.491	C	S	.	.	H	α-helix	trans	-62.6	-36.4	-175.7	-49.3	-85	0	0	0	111	R255 R274 R336 L337 N338	R255-D334 IonicContact CZ-OD1 3.82Å; R255-D334 IonicContact NE-OD1 3.51Å; R255-D334 PolarHBondContact NE-OD1 3.17Å; R255-D334 IonicContact NH2-OD1 2.67Å; R255-D334 PolarHBondContact NH2-OD1 3.49Å; R255-D334 IonicContact NH2-OD2 3.73Å; R255-D334 PolarHBondContact NH2-OD2 3.14Å; R274-D334 WeakPolarHBondContact CD-OD1 3.39Å; R274-D334 IonicContact CZ-OD1 2.65Å; R274-D334 IonicContact NE-OD1 2.73Å; R274-D334 PolarHBondContact NE-OD1 3.02Å; R274-D334 VanDerWaalsContact NE-OD1 3.08Å; R274-D334 IonicContact NH1-OD1 2.72Å; D334-R336 PolarHBondContact O-N 3.17Å; D334-L337 PolarHBondContact O-N 3.45Å; D334-N338 PolarHBondContact O-N 3.11Å
335	K	68.4	Low	56.9	Low	152 Å²	152	103.4 Å²	103.4	66%	0.661	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-9.4	169.3	-61.3	-171.5	178.6	-174.1	0	115	T333 R339	T333-K335 PolarHBondContact O-N 3.42Å; K335-R339 PolarHBondContact O-NE 2.59Å; K335-R339 PolarHBondContact O-NH2 2.88Å
336	R	67	Low	56.7	Low	80 Å²	80	98.9 Å²	98.9	30%	0.302	49%	0.49	S	S	.	.	H	α-helix	trans	-95.8	-40.7	168.4	-168.4	-179.4	-169.4	-179.3	3.6	110.7	S326 T333 D334 R339 L340	S326-R336 PolarHBondContact OG-NH1 2.83Å; S326-R336 PolarHBondContact OG-NH2 3.23Å; T333-R336 WeakPolarHBondContact O-CA 3.25Å; T333-R336 VanDerWaalsContact O-CB 3.29Å; T333-R336 WeakPolarHBondContact O-CB 3.17Å; T333-R336 PolarHBondContact O-N 2.94Å; D334-R336 PolarHBondContact O-N 3.17Å; R336-R339 PolarHBondContact O-N 3.02Å; R336-L340 HydrophobicContact CG-CD1 4.43Å; R336-L340 PolarHBondContact O-N 3.01Å; R336-L340 VanDerWaalsContact O-N 3.08Å
337	L	69.3	Low	56.6	Low	13 Å²	13	103.7 Å²	103.7	7%	0.068	51%	0.513	C	S	.	.	H	α-helix	trans	-65.1	-44.2	178.8	-58.8	174.1	0	0	0	111.9	E332 T333 D334 R339 L340 K341	E332-L337 HydrophobicContact CB-CD1 4.45Å; T333-L337 PolarHBondContact O-N 3.4Å; T333-L337 VanDerWaalsContact O-N 3.15Å; D334-L337 PolarHBondContact O-N 3.45Å; L337-R339 VanDerWaalsContact C-N 3.34Å; L337-R339 PolarHBondContact O-N 2.91Å; L337-L340 PolarHBondContact O-N 2.88Å; L337-K341 PolarHBondContact O-N 3.32Å
338	N	64.9	Low	56.6	Low	15 Å²	15	105.3 Å²	105.3	8%	0.08	51%	0.514	C	S	.	.	H	α-helix	trans	-68.7	-31.3	178.5	-72.2	1.1	0	0	0	112.4	E277 E280 D334 K342	E277-N338 WeakPolarHBondContact OE1-CB 3.15Å; E277-N338 PolarHBondContact OE1-ND2 3.34Å; E280-N338 PolarHBondContact OE2-ND2 3.19Å; D334-N338 PolarHBondContact O-N 3.11Å; N338-K342 WeakPolarHBondContact O-CG 3.44Å; N338-K342 PolarHBondContact O-N 3.26Å; N338-K342 VanDerWaalsContact O-N 3.11Å
339	R	67.8	Low	56.1	Low	164 Å²	164	101.2 Å²	101.2	62%	0.619	51%	0.513	S	S	*	.	H	α-helix	trans	-68.3	-38.8	170.5	-82.6	-173.9	-72.4	172.9	-2.4	112.7	K335 R336 L337 K342 L343	K335-R339 PolarHBondContact O-NE 2.59Å; K335-R339 PolarHBondContact O-NH2 2.88Å; R336-R339 PolarHBondContact O-N 3.02Å; L337-R339 VanDerWaalsContact C-N 3.34Å; L337-R339 PolarHBondContact O-N 2.91Å; R339-K342 PolarHBondContact O-N 3.06Å; R339-L343 WeakPolarHBondContact O-CG 3.33Å; R339-L343 PolarHBondContact O-N 3.45Å; R339-L343 VanDerWaalsContact O-N 3.09Å
340	L	66.3	Low	55.8	Low	84 Å²	84	104 Å²	104	44%	0.44	53%	0.525	S	S	.	.	H	α-helix	trans	-64.8	-40.1	175	-78	160.9	0	0	0	112.1	I324 R336 L337 L343 G344	I324-L340 HydrophobicContact CD1-CD1 3.97Å; R336-L340 HydrophobicContact CG-CD1 4.43Å; R336-L340 PolarHBondContact O-N 3.01Å; R336-L340 VanDerWaalsContact O-N 3.08Å; L337-L340 PolarHBondContact O-N 2.88Å; L340-L343 PolarHBondContact O-N 3.3Å; L340-G344 PolarHBondContact O-N 2.98Å; L340-G344 VanDerWaalsContact O-N 3.13Å
341	K	65	Low	55.2	Low	71 Å²	71	103 Å²	103	31%	0.309	52%	0.52	S	S	.	.	H	α-helix	trans	-58.3	-54.8	172	-74.5	-171.9	170.1	-169.4	0	111.8	L337 L343 G344 E345	L337-K341 PolarHBondContact O-N 3.32Å; K341-L343 PolarHBondContact O-N 3.38Å; K341-G344 PolarHBondContact O-N 2.87Å; K341-E345 PolarHBondContact O-N 3.08Å
342	K	64.8	Low	54.7	Low	114 Å²	114	98.9 Å²	98.9	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-31.1	-178.1	-72.5	174.3	174.8	178.9	0	113.6	E277 N338 R339 G346	E277-K342 IonicContact OE2-NZ 3.73Å; E277-K342 PolarHBondContact OE2-NZ 3.32Å; N338-K342 WeakPolarHBondContact O-CG 3.44Å; N338-K342 PolarHBondContact O-N 3.26Å; N338-K342 VanDerWaalsContact O-N 3.11Å; R339-K342 PolarHBondContact O-N 3.06Å; K342-G346 PolarHBondContact O-N 3.48Å
343	L	56.5	Low	53.8	Low	128 Å²	128	104.4 Å²	104.4	67%	0.67	55%	0.547	S	S	*	.	H	α-helix	trans	-73.7	-37.6	172.7	-72.1	168.6	0	0	0	112.9	R339 L340 K341	R339-L343 WeakPolarHBondContact O-CG 3.33Å; R339-L343 PolarHBondContact O-N 3.45Å; R339-L343 VanDerWaalsContact O-N 3.09Å; L340-L343 PolarHBondContact O-N 3.3Å; K341-L343 PolarHBondContact O-N 3.38Å
344	G	52	Low	52.4	Low	46 Å²	46	106.4 Å²	106.4	47%	0.474	56%	0.564	S	S	.	*	H	α-helix	trans	-70	-30.9	176.9	0	0	0	0	0	113.8	L340 K341	L340-G344 PolarHBondContact O-N 2.98Å; L340-G344 VanDerWaalsContact O-N 3.13Å; K341-G344 PolarHBondContact O-N 2.87Å
345	E	48.6	Very low	50.9	Low	135 Å²	135	111.6 Å²	111.6	63%	0.631	60%	0.597	S	S	*	*	H	α-helix	trans	-75	-39.6	178.2	-70.8	162.5	157	0	0	111.9	K341 N347	K341-E345 PolarHBondContact O-N 3.08Å; E345-N347 VanDerWaalsContact C-N 3.27Å; E345-N347 PolarHBondContact O-N 2.95Å
346	G	39.8	Very low	49.1	Very low	59 Å²	59	108 Å²	108	61%	0.608	60%	0.604	S	S	*	*	H	α-helix	trans	-65.1	-25.3	177.5	0	0	0	0	0	114.7	K342 R348	K342-G346 PolarHBondContact O-N 3.48Å; G346-R348 VanDerWaalsContact C-N 3.34Å; G346-R348 PolarHBondContact O-N 3.25Å
347	N	42.9	Very low	47.6	Very low	133 Å²	133	110.2 Å²	110.2	71%	0.711	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	16	-173.3	-143.7	104.7	0	0	0	114.3	E345	E345-N347 VanDerWaalsContact C-N 3.27Å; E345-N347 PolarHBondContact O-N 2.95Å
348	R	44.5	Very low	45.8	Very low	236 Å²	236	118.2 Å²	118.2	89%	0.891	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	11.4	174.2	-74.3	-166.2	168	-137.8	-4.9	114.6	G346	G346-R348 VanDerWaalsContact C-N 3.34Å; G346-R348 PolarHBondContact O-N 3.25Å
349	S	33.9	Very low	44.4	Very low	103 Å²	103	122.4 Å²	122.4	72%	0.72	69%	0.694	S	S	*	*	S	Bend	trans	-120.1	32.5	-177.4	-170.3	0	0	0	0	113.5
350	S	42.3	Very low	42.7	Very low	107 Å²	107	121.3 Å²	121.3	75%	0.748	70%	0.7	S	S	*	*			trans	-162.9	80.5	167.7	-77.6	0	0	0	0	110.8
351	D	34.1	Very low	41.2	Very low	158 Å²	158	123.6 Å²	123.6	85%	0.845	72%	0.718	S	S	*	*			trans	-159.5	98.5	158.3	-107.6	-34.3	0	0	0	109.3
352	S	39	Very low	39.6	Very low	113 Å²	113	127.5 Å²	127.5	79%	0.79	74%	0.742	S	S	*	*			trans	-155.6	36.9	179.5	-70.3	0	0	0	0	112.1
353	H	33.8	Very low	38.2	Very low	173 Å²	173	127.2 Å²	127.2	80%	0.801	75%	0.754	S	S	*	*			trans	-127.9	94.2	172.5	-75.6	-65.2	0	0	0	111.8
354	S	34.2	Very low	37.1	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	76%	0.761	S	S	*	*			trans	36.2	105.2	139.5	57.5	0	0	0	0	118.7
355	V	33.1	Very low	36.1	Very low	151 Å²	151	133.3 Å²	133.3	92%	0.915	78%	0.776	S	S	*	*			trans	-106.4	113.9	145.5	-75.8	0	0	0	0	108.7
356	G	31.5	Very low	35.2	Very low	77 Å²	77	131.9 Å²	131.9	79%	0.794	78%	0.78	S	S	*	*			trans	-89.4	139.4	173.1	0	0	0	0	0	110.6
357	S	34.5	Very low	34.8	Very low	126 Å²	126	133.2 Å²	133.2	88%	0.881	79%	0.786	S	S	*	*			trans	-75.1	129.5	177.8	-50.9	0	0	0	0	111.6
358	H	31.8	Very low	34.2	Very low	180 Å²	180	138 Å²	138	83%	0.833	79%	0.794	S	S	*	*			trans	-143.4	130.6	147.7	-157	-75	0	0	0	109.7
359	T	35.8	Very low	33.5	Very low	104 Å²	104	132.2 Å²	132.2	64%	0.638	79%	0.785	S	S	*	*			trans	-96.4	153.2	176.9	43.4	0	0	0	0	110.7
360	D	33	Very low	33.4	Very low	140 Å²	140	137.7 Å²	137.7	75%	0.749	79%	0.79	S	S	*	*			trans	40	132.8	149.1	-47.9	-37.3	0	0	0	120.8
361	V	34.3	Very low	32.9	Very low	133 Å²	133	138.2 Å²	138.2	81%	0.806	79%	0.789	S	S	*	*				-165.8	139.3	101.8	143.4	0	0	0	0	109.2
362	D	30.7	Very low	32.9	Very low	153 Å²	153	135.2 Å²	135.2	82%	0.818	78%	0.78	S	S	*	*			trans	-79.6	144.2	178.8	-146	-36.7	0	0	0	111
363	S	35.8	Very low	32.9	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	78%	0.777	S	S	*	*			trans	-155.9	95.2	172.7	-82.3	0	0	0	0	112.2
364	Q	33.1	Very low	33.2	Very low	176 Å²	176	131.7 Å²	131.7	82%	0.822	78%	0.775	S	S	*	*			trans	-11.8	135.9	155.6	-47	171.7	23.9	0	0	116.2
365	T	32	Very low	33.2	Very low	126 Å²	126	132.2 Å²	132.2	77%	0.773	78%	0.779	S	S	*	*				179.6	144.3	102	30.3	0	0	0	0	115.2
366	S	29.4	Very low	33.3	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	77%	0.771	S	S	*	*			trans	24	112.8	150.4	62.8	0	0	0	0	123.3
367	A	30.4	Very low	33.4	Very low	88 Å²	88	132.1 Å²	132.1	73%	0.727	77%	0.773	S	S	*	*				81.5	135.4	107.9	0	0	0	0	0	124.2
368	R	30.9	Very low	33.7	Very low	234 Å²	234	131.7 Å²	131.7	88%	0.883	77%	0.769	S	S	*	*			trans	84.1	135.1	134.2	-88.6	178.1	170.3	-164.2	-3.5	122.4
369	T	30.4	Very low	34.4	Very low	113 Å²	113	129.3 Å²	129.3	69%	0.693	77%	0.77	S	S	*	*			trans	63.5	99.5	144.1	-49.9	0	0	0	0	117.1
370	R	31	Very low	34.3	Very low	218 Å²	218	127.5 Å²	127.5	82%	0.823	77%	0.772	S	S	*	*				65.1	135.3	79.6	-70	-176.8	68.5	176.4	1.4	115.5
371	T	32.3	Very low	34.4	Very low	119 Å²	119	128.9 Å²	128.9	73%	0.73	78%	0.778	S	S	*	*			trans	66.7	142.4	157.3	42.8	0	0	0	0	118.2
372	S	34.7	Very low	34.4	Very low	94 Å²	94	130.6 Å²	130.6	66%	0.657	78%	0.775	S	S	*	*			cis	-170.3	163.2	-8	44.8	0	0	0	0	113.4
373	S	37.4	Very low	34.5	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	77%	0.773	S	S	*	*			trans	64	150.5	143.3	51.3	0	0	0	0	121.6
374	S	40.8	Very low	34.5	Very low	110 Å²	110	137 Å²	137	77%	0.769	77%	0.773	S	S	*	*			cis	179.9	140.5	-22	53.1	0	0	0	0	112.3
375	S	34.2	Very low	34.4	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	76%	0.764	S	S	*	*			trans	169.5	159.7	149.2	49.4	0	0	0	0	109.9
376	S	35.4	Very low	34.4	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	77%	0.769	S	S	*	*			cis	-156.3	132.9	-37.2	50.9	0	0	0	0	106.4
377	S	33.8	Very low	34.5	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	77%	0.77	S	S	*	*				163.8	174.5	90.4	48	0	0	0	0	109.7
378	S	40	Very low	35.9	Very low	116 Å²	116	141.1 Å²	141.1	81%	0.811	77%	0.773	S	S	*	*			trans	-114.8	-174	-173.5	-60.4	0	0	0	0	110.9
379	P	48.2	Very low	35.9	Very low	131 Å²	131	136.1 Å²	136.1	85%	0.851	77%	0.773	S	S	*	*			cis	-128.8	-173.7	-3.7	41.5	-23.8	0	0	0	113.5
380	G	32.3	Very low	35.9	Very low	65 Å²	65	141.6 Å²	141.6	67%	0.67	78%	0.781	S	S	*	*			cis	166.4	159.1	-11.3	0	0	0	0	0	113.3
381	L	35.1	Very low	35.9	Very low	169 Å²	169	139.7 Å²	139.7	89%	0.885	78%	0.782	S	S	*	*			trans	58	125.2	167.2	-55.6	172.3	0	0	0	118.5
382	K	35.4	Very low	35.8	Very low	170 Å²	170	139.6 Å²	139.6	74%	0.739	78%	0.781	S	S	*	*			cis	93.2	119.8	17.1	-64.1	-168.5	175.1	179.2	0	118.7
383	Y	31.5	Very low	35.8	Very low	199 Å²	199	141.4 Å²	141.4	78%	0.78	79%	0.788	S	S	*	*			trans	74.9	156.7	139.5	-81.7	-134.9	0	0	0	118.8
384	R	35.4	Very low	35.4	Very low	195 Å²	195	141.3 Å²	141.3	74%	0.736	79%	0.787	S	S	*	*			cis	-173.1	157.5	-28.5	-158.6	-164.7	-171.7	-160.5	4.9	111
385	T	31.7	Very low	35	Very low	103 Å²	103	147.8 Å²	147.8	63%	0.632	80%	0.795	S	S	*	*			trans	77.8	135.9	146.3	21.8	0	0	0	0	124.5
386	R	32.1	Very low	34.8	Very low	235 Å²	235	145.7 Å²	145.7	89%	0.887	79%	0.785	S	S	*	*			trans	89	161.5	143.7	-80.7	176	71.6	163	-0.8	121.2
387	T	32.2	Very low	34.5	Very low	125 Å²	125	147 Å²	147	77%	0.767	79%	0.788	S	S	*	*			trans	-123.1	-173.6	-159.1	57.3	0	0	0	0	110.4
388	P	59.3	Low	34.2	Very low	119 Å²	119	146 Å²	146	77%	0.773	78%	0.781	S	S	*	*			cis	-129.6	179.8	-16.7	38.7	-22.7	0	0	0	114.1
389	S	29.9	Very low	33.7	Very low	128 Å²	128	146.5 Å²	146.5	90%	0.895	78%	0.779	S	S	*	*			trans	-157.9	177.3	149.8	-160.5	0	0	0	0	112.9
390	R	31	Very low	32.8	Very low	228 Å²	228	145.6 Å²	145.6	86%	0.86	78%	0.776	S	S	*	*			trans	-154.5	126	-156.2	170.2	-158.8	-174.4	-147.2	6.6	113.5
391	Q	32.3	Very low	32.7	Very low	178 Å²	178	148.1 Å²	148.1	83%	0.832	78%	0.782	S	S	*	*			trans	-178.5	124.8	153	-99.9	155.4	0.8	0	0	108.6
392	T	28.8	Very low	32.6	Very low	118 Å²	118	145.9 Å²	145.9	72%	0.724	78%	0.781	S	S	*	*				50.1	126.1	92.4	65.4	0	0	0	0	113.7
393	V	34.4	Very low	32.8	Very low	131 Å²	131	147.4 Å²	147.4	79%	0.794	79%	0.787	S	S	*	*			cis	-149.6	143.9	44.5	-79.2	0	0	0	0	111
394	S	30.5	Very low	33.3	Very low	101 Å²	101	144.2 Å²	144.2	71%	0.706	79%	0.791	S	S	*	*				86.8	103.9	67.6	-47.5	0	0	0	0	117
395	R	32.3	Very low	33.1	Very low	247 Å²	247	139.4 Å²	139.4	93%	0.932	79%	0.793	S	S	*	*			trans	65.8	157.1	153.5	-79.2	167.9	69.6	151	-1.7	117.8
396	A	28.9	Very low	34	Very low	76 Å²	76	140.8 Å²	140.8	63%	0.628	80%	0.804	S	S	*	*			cis	-152.7	149.3	-4.3	0	0	0	0	0	114
397	V	28.8	Very low	34	Very low	133 Å²	133	133.2 Å²	133.2	81%	0.806	80%	0.799	S	S	*	*			trans	24.5	127.8	130.9	-164.6	0	0	0	0	119.9
398	S	27.4	Very low	34	Very low	98 Å²	98	134.6 Å²	134.6	69%	0.685	80%	0.802	S	S	*	*				171.7	124.5	117.7	-75	0	0	0	0	117.4
399	T	30.6	Very low	32.8	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	80%	0.799	S	S	*	*			trans	58.2	155.6	136.2	61.1	0	0	0	0	125.1
400	S	29.4	Very low	33.1	Very low	112 Å²	112	132.4 Å²	132.4	78%	0.783	79%	0.789	S	S	*	*			trans	78.8	160.8	164.3	78.7	0	0	0	0	118.3
401	C	30.5	Very low	33.2	Very low	117 Å²	117	133.5 Å²	133.5	79%	0.791	79%	0.793	S	S	*	*				171.6	157.6	-56.6	-93.3	0	0	0	0	109.6
402	S	33.1	Very low	33.2	Very low	123 Å²	123	133 Å²	133	86%	0.86	79%	0.791	S	S	*	*			trans	83.6	153.7	160	-56.5	0	0	0	0	120.9
403	K	38.4	Very low	34.4	Very low	201 Å²	201	132.2 Å²	132.2	87%	0.874	79%	0.787	S	S	*	*			trans	-91.5	172.5	175.7	-53.9	171.6	-178.4	174.4	0	110.7
404	P	42.3	Very low	34.3	Very low	133 Å²	133	134.6 Å²	134.6	86%	0.864	79%	0.787	S	S	*	*				-154	-176.8	108.1	39.6	-21.5	0	0	0	116.9
405	A	31.3	Very low	34.6	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	80%	0.795	S	S	*	*			trans	-167.6	-176.2	170.4	0	0	0	0	0	108.2
406	P	51.7	Low	34.8	Very low	133 Å²	133	136 Å²	136	86%	0.864	79%	0.787	S	S	*	*			cis	-136.6	-166.2	-4.8	44.7	-26.7	0	0	0	114.9
407	G	30.1	Very low	35.2	Very low	76 Å²	76	143.3 Å²	143.3	78%	0.784	80%	0.799	S	S	*	*			trans	111.5	165.4	159.4	0	0	0	0	0	116.9
408	N	33.7	Very low	35.6	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	79%	0.793	S	S	*	*			cis	-166.7	167.4	-8.8	-163.5	7.4	0	0	0	112.6
409	S	32.8	Very low	36	Very low	102 Å²	102	145.8 Å²	145.8	71%	0.713	80%	0.801	S	S	*	*			trans	74.5	161.3	159.7	85.4	0	0	0	0	120.2
410	S	36.8	Very low	36	Very low	99 Å²	99	145 Å²	145	69%	0.692	80%	0.801	S	S	*	*			cis	-174.8	153.1	-34	60.3	0	0	0	0	113.2
411	R	32.3	Very low	36.5	Very low	251 Å²	251	149.2 Å²	149.2	95%	0.947	81%	0.805	S	S	*	*			trans	147.2	159.6	142.4	-82.4	179.2	168	166.8	-2.4	116.7
412	E	33.8	Very low	37.4	Very low	168 Å²	168	149.3 Å²	149.3	79%	0.785	81%	0.805	S	S	*	*			trans	-132.9	176	-176	-156.6	-156.6	-93.9	0	0	109.4	K414	E412-K414 PolarHBondContact OE2-N 2.87Å
413	P	54.5	Low	38.7	Very low	100 Å²	100	148.7 Å²	148.7	65%	0.649	80%	0.798	S	S	*	*				-164.4	169.9	87.5	46.1	-25.2	0	0	0	121
414	K	31.8	Very low	38.4	Very low	181 Å²	181	144 Å²	144	79%	0.787	79%	0.79	S	S	*	*			trans	81.3	116.4	157.2	-59.9	169.2	-173.1	177	0	118.2	E412	E412-K414 PolarHBondContact OE2-N 2.87Å
415	R	36.2	Very low	37.9	Very low	233 Å²	233	146.8 Å²	146.8	88%	0.879	79%	0.789	S	S	*	*				79.2	132.7	61.8	-74.3	-169.1	172.9	-168	-0	115
416	L	36.8	Very low	38	Very low	146 Å²	146	148.2 Å²	148.2	76%	0.764	79%	0.788	S	S	*	*				-157.9	149	51	-81.3	168.6	0	0	0	116.6
417	R	36.3	Very low	36.9	Very low	229 Å²	229	152.4 Å²	152.4	86%	0.864	79%	0.786	S	S	*	*			trans	47.3	154.3	143.4	-77.8	-174.3	174.7	-142.5	-1.7	122.7
418	S	38	Very low	36.8	Very low	100 Å²	100	154.6 Å²	154.6	70%	0.699	78%	0.779	S	S	*	*			cis	-158.4	151.9	4.8	41.7	0	0	0	0	115.1
419	Q	35.2	Very low	36.6	Very low	182 Å²	182	158 Å²	158	85%	0.85	78%	0.781	S	S	*	*			trans	25.9	152.3	140.5	-70.7	177.6	-10.2	0	0	122.6
420	S	31.2	Very low	36.4	Very low	112 Å²	112	158.1 Å²	158.1	78%	0.783	78%	0.781	S	S	*	*			cis	-161.4	171.6	8.4	36.4	0	0	0	0	114.4
421	K	40	Very low	36.2	Very low	200 Å²	200	164.3 Å²	164.3	87%	0.87	79%	0.789	S	S	*	*			trans	-115	-174	166.2	-72.5	-172.9	178.1	-180	0	108.4
422	P	50.2	Low	36.1	Very low	120 Å²	120	163.2 Å²	163.2	78%	0.779	79%	0.785	S	S	*	*			cis	-144.4	-131.6	23.8	36.5	-6.2	0	0	0	116.9
423	P	59	Low	36	Very low	109 Å²	109	161.6 Å²	161.6	71%	0.708	77%	0.772	S	S	*	*				-141.2	-160.6	-109.5	47.2	-26.8	0	0	0	118.1
424	S	33.3	Very low	35	Very low	102 Å²	102	162.1 Å²	162.1	71%	0.713	77%	0.773	S	S	*	*			trans	92.6	157.3	152	87	0	0	0	0	118.9
425	K	32.1	Very low	35	Very low	192 Å²	192	156.9 Å²	156.9	84%	0.835	76%	0.757	S	S	*	*			cis	-167.4	142.1	-21.4	-111	179.1	-178.9	178.6	0	111.8
426	V	31.7	Very low	34.7	Very low	124 Å²	124	148.9 Å²	148.9	75%	0.752	74%	0.74	S	S	*	*			trans	68.3	115.6	134.1	174.5	0	0	0	0	123.7
427	R	29.6	Very low	34.5	Very low	220 Å²	220	144.9 Å²	144.9	83%	0.83	73%	0.729	S	S	*	*			trans	75.9	144.8	139.5	-98.9	-178.2	161.6	176.5	-3.4	126
428	L	28.5	Very low	34.4	Very low	122 Å²	122	136.3 Å²	136.3	64%	0.639	71%	0.707	S	S	*	*			trans	99.6	113.8	134.1	-81.7	165	0	0	0	124.2
429	R	28.6	Very low	34.1	Very low	226 Å²	226	140.3 Å²	140.3	85%	0.853	71%	0.706	S	S	*	*			trans	53.9	116.5	134.9	-87	-176.8	-178.2	163.2	-2.2	123.3
430	S	29.1	Very low	34.1	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	70%	0.699	S	S	*	*				97.8	137.9	113.3	-161.2	0	0	0	0	123.3
431	R	31.1	Very low	34	Very low	229 Å²	229	135.8 Å²	135.8	86%	0.864	69%	0.691	S	S	*	*			trans	75.2	105.1	150.6	-90.5	-176.5	173.4	-156.9	0.5	123.9
432	R	30.9	Very low	33.4	Very low	228 Å²	228	131.4 Å²	131.4	86%	0.86	69%	0.692	S	S	*	*				49.3	146.2	116.2	-88.6	-168.6	174.9	-160.2	-0.8	124.2
433	R	32.4	Very low	32.5	Very low	135 Å²	135	130.2 Å²	130.2	51%	0.509	69%	0.693	S	S	.	*			trans	92.1	113.3	149.8	-88.4	-170.9	159.9	176.5	-9.2	118.2	S609	R433-S609 PolarHBondContact NH2-OG 2.66Å
434	T	32.8	Very low	32	Very low	110 Å²	110	130.2 Å²	130.2	68%	0.675	69%	0.693	S	S	*	*				71.9	142.6	87.5	62.8	0	0	0	0	114.2
435	T	33	Very low	31.8	Very low	72 Å²	72	133.7 Å²	133.7	44%	0.442	70%	0.703	S	S	.	*				-168.7	166.6	50.2	44.5	0	0	0	0	114.7	L607 L608	T435-L607 HydrophobicContact CG2-CD1 4.4Å; T435-L607 HydrophobicContact CG2-CD2 3.83Å; T435-L608 HydrophobicContact CG2-CD2 3.97Å; T435-L608 HydrophobicContact CG2-CG 4.37Å
436	A	28.9	Very low	31.6	Very low	64 Å²	64	127.6 Å²	127.6	53%	0.529	69%	0.694	S	S	.	*			trans	76.5	166.8	147.4	0	0	0	0	0	121.3	L607	A436-L607 HydrophobicContact CB-CB 3.75Å; A436-L607 HydrophobicContact CB-CD1 4.17Å
437	A	32.4	Very low	31.6	Very low	63 Å²	63	129.4 Å²	129.4	52%	0.521	70%	0.699	S	S	.	*				158	159.5	-56.7	0	0	0	0	0	113.7
438	A	33.4	Very low	31.6	Very low	49 Å²	49	128.3 Å²	128.3	41%	0.405	69%	0.694	S	S	.	*			trans	74.8	156.7	165.3	0	0	0	0	0	118.2	G604 N605	A438-G604 CarbonylContact C-O 3.57Å; A438-G604 PolarHBondContact O-N 3.09Å; A438-N605 VanDerWaalsContact CB-C 3.5Å; A438-N605 VanDerWaalsContact CB-O 3.29Å; A438-N605 WeakPolarHBondContact CB-O 3.23Å
439	R	33	Very low	31.7	Very low	183 Å²	183	128.5 Å²	128.5	69%	0.691	70%	0.696	S	S	*	*			cis	-142.9	-155.4	-3.2	-132	-69.6	173.6	-153.8	3.5	111.4	D441 G604	R439-D441 WeakPolarHBondContact CD-OD2 3.19Å; R439-D441 IonicContact CZ-OD1 2.69Å; R439-D441 IonicContact CZ-OD2 2.72Å; R439-D441 VanDerWaalsContact CZ-OD2 3.28Å; R439-D441 IonicContact NE-OD2 2.72Å; R439-D441 PolarHBondContact NE-OD2 2.99Å; R439-D441 IonicContact NH1-OD1 3.66Å; R439-D441 PolarHBondContact NH1-OD1 3.16Å; R439-D441 IonicContact NH1-OD2 3.54Å; R439-D441 PolarHBondContact NH1-OD2 2.84Å; R439-G604 WeakPolarHBondContact CB-O 3.4Å; R439-G604 PolarHBondContact N-O 2.75Å
440	A	34.6	Very low	31.8	Very low	85 Å²	85	123 Å²	123	70%	0.702	69%	0.693	S	S	*	*			trans	-139.5	-140.6	174.5	0	0	0	0	0	109.3
441	D	30	Very low	31.8	Very low	114 Å²	114	127.9 Å²	127.9	61%	0.61	70%	0.701	S	S	*	*			cis	-159.1	162.1	22.2	-68.7	-119.3	0	0	0	110	R439	R439-D441 WeakPolarHBondContact CD-OD2 3.19Å; R439-D441 IonicContact CZ-OD1 2.69Å; R439-D441 IonicContact CZ-OD2 2.72Å; R439-D441 VanDerWaalsContact CZ-OD2 3.28Å; R439-D441 IonicContact NE-OD2 2.72Å; R439-D441 PolarHBondContact NE-OD2 2.99Å; R439-D441 IonicContact NH1-OD1 3.66Å; R439-D441 PolarHBondContact NH1-OD1 3.16Å; R439-D441 IonicContact NH1-OD2 3.54Å; R439-D441 PolarHBondContact NH1-OD2 2.84Å
442	A	27.5	Very low	31.7	Very low	108 Å²	108	123.1 Å²	123.1	89%	0.893	70%	0.697	S	S	*	*			trans	-152.9	154.2	169.7	0	0	0	0	0	113.5
443	A	29.7	Very low	31.7	Very low	96 Å²	96	119.2 Å²	119.2	79%	0.793	69%	0.692	S	S	*	*			trans	-142.5	-161.8	-176.5	0	0	0	0	0	109.3
444	P	49.5	Very low	32	Very low	109 Å²	109	118.7 Å²	118.7	71%	0.708	71%	0.706	S	S	*	*			cis	-145.2	-169.3	3.5	36	-10.2	0	0	0	117.8
445	L	29.3	Very low	31.6	Very low	175 Å²	175	118.8 Å²	118.8	92%	0.916	71%	0.71	S	S	*	*			trans	71	152.2	164	-47	177.5	0	0	0	118.9
446	G	28.1	Very low	31.7	Very low	64 Å²	64	124.6 Å²	124.6	66%	0.66	73%	0.729	S	S	*	*			cis	169.3	149.4	-13.6	0	0	0	0	0	115.4
447	L	30.2	Very low	31.7	Very low	162 Å²	162	126.7 Å²	126.7	85%	0.848	74%	0.74	S	S	*	*			trans	70.4	158.1	170.2	-82.9	65.8	0	0	0	118.2
448	R	31.2	Very low	31.5	Very low	196 Å²	196	130.6 Å²	130.6	74%	0.74	76%	0.757	S	S	*	*			cis	-156.2	157.7	4.1	-135.4	179.3	-167.1	-97.1	4.4	114.8
449	D	29.2	Very low	31.3	Very low	127 Å²	127	133.8 Å²	133.8	68%	0.679	77%	0.771	S	S	*	*			trans	64.7	164.4	150.5	-66.3	-29.7	0	0	0	125.1
450	S	30.9	Very low	31	Very low	111 Å²	111	131 Å²	131	78%	0.776	78%	0.775	S	S	*	*			trans	-153.7	150.8	-164.4	-53.1	0	0	0	0	114.4
451	K	29.6	Very low	30.9	Very low	206 Å²	206	132.5 Å²	132.5	90%	0.896	78%	0.775	S	S	*	*			trans	157.9	165.3	154.6	-93.8	158.7	-175	176.9	0	110.9
452	V	29.3	Very low	30.9	Very low	128 Å²	128	136.5 Å²	136.5	78%	0.776	79%	0.787	S	S	*	*			cis	-165.3	167.2	-33.1	128.1	0	0	0	0	108.2
453	L	31.3	Very low	31.2	Very low	147 Å²	147	139 Å²	139	77%	0.77	78%	0.777	S	S	*	*			trans	-38.5	161.8	173.7	-57.8	164.5	0	0	0	117.5
454	P	38.1	Very low	31.2	Very low	123 Å²	123	143.2 Å²	143.2	80%	0.799	78%	0.781	S	S	*	*				-142.3	175.7	102.4	40.3	-28.5	0	0	0	115.7
455	C	24.7	Very low	30.5	Very low	113 Å²	113	145 Å²	145	76%	0.764	78%	0.778	S	S	*	*			trans	-152.1	162.6	176.5	-75.6	0	0	0	0	112.2
456	K	34.7	Very low	30.6	Very low	194 Å²	194	143.4 Å²	143.4	84%	0.843	77%	0.77	S	S	*	*			trans	89.9	119.8	158.5	-58.9	-175.9	176.1	177.8	0	121.6
457	S	28.2	Very low	30.6	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	77%	0.769	S	S	*	*				58.2	139.3	129.6	67.5	0	0	0	0	124.1
458	V	29.4	Very low	31.9	Very low	145 Å²	145	141 Å²	141	88%	0.879	76%	0.764	S	S	*	*				-173.6	179.5	127.6	143.8	0	0	0	0	109.8
459	V	28.7	Very low	32	Very low	116 Å²	116	140 Å²	140	70%	0.703	77%	0.767	S	S	*	*			trans	-146.2	126.6	-143.5	152.3	0	0	0	0	115.6
460	T	27.9	Very low	32.1	Very low	124 Å²	124	140.1 Å²	140.1	76%	0.761	77%	0.772	S	S	*	*			trans	55.4	147.1	152.7	59.5	0	0	0	0	124.4
461	V	31.1	Very low	32.3	Very low	117 Å²	117	138.9 Å²	138.9	71%	0.709	77%	0.769	S	S	*	*				145.2	119.9	124.9	166.2	0	0	0	0	116.3
462	K	31.3	Very low	33.4	Very low	198 Å²	198	134.5 Å²	134.5	86%	0.861	76%	0.761	S	S	*	*			trans	57.2	169.2	152.2	-75.2	174.6	-176	173.1	0	120.6
463	K	32.3	Very low	33.5	Very low	159 Å²	159	136.4 Å²	136.4	69%	0.691	77%	0.767	S	S	*	*			cis	175.8	131.8	-32.1	171.3	-129.7	175.3	-169.5	0	109.4
464	E	29.4	Very low	33.5	Very low	186 Å²	186	132.7 Å²	132.7	87%	0.869	76%	0.764	S	S	*	*			trans	-152.2	-173	141.7	-128.4	163.1	-173.2	0	0	115.5
465	K	35.9	Very low	34.1	Very low	146 Å²	146	132.5 Å²	132.5	64%	0.635	76%	0.762	S	S	*	*			trans	-158.4	149.7	-140.1	145.8	-86	179.2	-158.9	0	113.2
466	D	30.2	Very low	34.5	Very low	142 Å²	142	139 Å²	139	76%	0.759	77%	0.771	S	S	*	*			trans	-164.6	174.2	140	-107.6	-27	0	0	0	115.1
467	G	29	Very low	34.3	Very low	62 Å²	62	133.2 Å²	133.2	64%	0.639	77%	0.766	S	S	*	*			trans	-154.6	-158.9	-177.4	0	0	0	0	0	111
468	P	58.6	Low	34.4	Very low	113 Å²	113	134 Å²	134	73%	0.734	77%	0.77	S	S	*	*			cis	-142.6	-179.1	23.4	43.3	-24.4	0	0	0	117.9
469	E	32.9	Very low	34.5	Very low	174 Å²	174	134 Å²	134	81%	0.813	77%	0.765	S	S	*	*			trans	60.9	153.9	147.5	-88.2	-179.2	113	0	0	122.5
470	V	31.2	Very low	34.6	Very low	130 Å²	130	134 Å²	134	79%	0.788	77%	0.765	S	S	*	*			cis	-130.7	165.4	2.5	-162.8	0	0	0	0	110.3
471	A	35.7	Very low	34.8	Very low	85 Å²	85	138.2 Å²	138.2	70%	0.702	77%	0.767	S	S	*	*			trans	-113.1	-157.2	173.8	0	0	0	0	0	110.6
472	P	52.7	Low	34.8	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	77%	0.77	S	S	*	*			cis	-125.6	-165.7	-7.9	29.6	-3.2	0	0	0	111.6
473	L	30.5	Very low	34.7	Very low	169 Å²	169	135.7 Å²	135.7	89%	0.885	77%	0.766	S	S	*	*			cis	-145.7	164.5	26	-73.5	159.4	0	0	0	112.1
474	G	31.7	Very low	34.5	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	77%	0.771	S	S	*	*			trans	-118.2	-143.3	171.3	0	0	0	0	0	112.1
475	P	49.4	Very low	34.6	Very low	118 Å²	118	132.3 Å²	132.3	77%	0.766	77%	0.767	S	S	*	*			cis	-142.9	179.7	0.2	43.1	-24.4	0	0	0	116.8
476	R	34.8	Very low	34.3	Very low	249 Å²	249	131.4 Å²	131.4	94%	0.94	77%	0.765	S	S	*	*			trans	11.1	151.1	144	-55.8	170.6	176.3	-136.6	-1.3	120.7
477	G	29.8	Very low	34.3	Very low	73 Å²	73	131.4 Å²	131.4	75%	0.753	77%	0.765	S	S	*	*			cis	141	142.8	-5.5	0	0	0	0	0	115.8
478	C	29.8	Very low	34.3	Very low	124 Å²	124	132.2 Å²	132.2	84%	0.838	77%	0.773	S	S	*	*			trans	71.5	133.9	158.9	-97.8	0	0	0	0	124
479	L	31.6	Very low	32.7	Very low	147 Å²	147	130.2 Å²	130.2	77%	0.77	77%	0.773	S	S	*	*			trans	84.5	119.9	142.4	-65	167.8	0	0	0	124.1
480	T	31.3	Very low	32.7	Very low	114 Å²	114	130 Å²	130	70%	0.699	78%	0.777	S	S	*	*			trans	79.2	123.3	134.6	50.7	0	0	0	0	125.5
481	R	32	Very low	33.7	Very low	213 Å²	213	129.3 Å²	129.3	80%	0.804	77%	0.774	S	S	*	*			trans	78.5	115.5	133.6	-71.4	-179	175.8	-127.7	-0.4	123
482	H	30.6	Very low	33.3	Very low	167 Å²	167	134.8 Å²	134.8	77%	0.773	79%	0.786	S	S	*	*			trans	58.1	107.6	133.6	-62.6	-67.5	0	0	0	123.8
483	A	30	Very low	32.1	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	79%	0.789	S	S	*	*				83.9	150.8	115.7	0	0	0	0	0	123.4
484	A	28	Very low	32.1	Very low	95 Å²	95	128.6 Å²	128.6	79%	0.785	78%	0.783	S	S	*	*			trans	76.6	121.3	168.5	0	0	0	0	0	116.6
485	K	31.1	Very low	31.9	Very low	180 Å²	180	132.2 Å²	132.2	78%	0.783	80%	0.796	S	S	*	*				87	132.4	77.1	-161.1	159	-179	-82.2	0	109.5
486	E	29.5	Very low	30.8	Very low	126 Å²	126	129.6 Å²	129.6	59%	0.589	79%	0.79	S	S	*	*			cis	-169.2	175.2	41.7	-154.9	175.9	-128.7	0	0	113.7
487	N	30.8	Very low	30.4	Very low	143 Å²	143	123.1 Å²	123.1	77%	0.765	78%	0.783	S	S	*	*			trans	72.3	144.3	158.4	-57.6	-47.2	0	0	0	120
488	G	28.2	Very low	30.3	Very low	79 Å²	79	123.2 Å²	123.2	81%	0.814	78%	0.777	S	S	*	*			cis	164.3	141.4	-12.8	0	0	0	0	0	116
489	G	26.4	Very low	30	Very low	70 Å²	70	127.5 Å²	127.5	72%	0.722	78%	0.777	S	S	*	*			trans	105.3	152	170.5	0	0	0	0	0	115.5
490	L	31.6	Very low	29.8	Very low	171 Å²	171	131.4 Å²	131.4	90%	0.895	78%	0.781	S	S	*	*			cis	-145.8	-172.4	-7.1	-132.6	76.2	0	0	0	108.2
491	P	52.1	Low	29.9	Very low	114 Å²	114	131.9 Å²	131.9	74%	0.74	78%	0.784	S	S	*	*				-131.5	165	-128.4	40	-20	0	0	0	118.3
492	E	27	Very low	29.8	Very low	201 Å²	201	132.6 Å²	132.6	94%	0.939	79%	0.787	S	S	*	*			trans	-153.7	168.8	142.7	-123.8	-177.6	177.5	0	0	110.1
493	G	28.3	Very low	29.7	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	79%	0.79	S	S	*	*			trans	-148.9	176.1	-176.7	0	0	0	0	0	113.3
494	G	29.4	Very low	29.9	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	79%	0.788	S	S	*	*			cis	174	169.8	-2	0	0	0	0	0	112.1
495	C	28.9	Very low	30	Very low	145 Å²	145	137.9 Å²	137.9	98%	0.98	79%	0.792	S	S	*	*			trans	70.6	141.2	-178.1	-158.4	0	0	0	0	115.7
496	G	26	Very low	30.3	Very low	64 Å²	64	139.5 Å²	139.5	66%	0.66	79%	0.793	S	S	*	*			cis	167.4	160.5	-11.9	0	0	0	0	0	114.6
497	S	26.8	Very low	30.3	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	81%	0.806	S	S	*	*			trans	72.4	89.9	161.9	-152.9	0	0	0	0	121.6
498	A	26.1	Very low	30.4	Very low	76 Å²	76	140.5 Å²	140.5	63%	0.628	81%	0.807	S	S	*	*				62.5	154.1	121.1	0	0	0	0	0	124.8
499	Y	25.1	Very low	30.5	Very low	214 Å²	214	146.6 Å²	146.6	84%	0.839	81%	0.805	S	S	*	*			trans	92.4	138.6	157.1	-52.4	-70.8	0	0	0	122
500	R	26.2	Very low	30.6	Very low	228 Å²	228	146.9 Å²	146.9	86%	0.86	80%	0.801	S	S	*	*			trans	72.9	101.4	147.8	-82.5	-176.2	159.9	172.9	-4.4	122.5
501	T	33	Very low	31.3	Very low	124 Å²	124	145 Å²	145	76%	0.761	80%	0.798	S	S	*	*				32.2	116.3	113.4	62.4	0	0	0	0	120.6
502	R	29.9	Very low	30.4	Very low	228 Å²	228	145.5 Å²	145.5	86%	0.86	80%	0.795	S	S	*	*			trans	-146.7	118.6	141.7	-101.2	-170.7	168.6	-161.4	-1.9	108.1
503	R	28.6	Very low	31	Very low	223 Å²	223	141.5 Å²	141.5	84%	0.842	79%	0.787	S	S	*	*				81.8	118.3	84.7	-92.4	-160.4	176.1	-158.4	-0.1	114
504	S	35.1	Very low	31.1	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	79%	0.789	S	S	*	*			trans	-62.2	144.1	153.8	172.7	0	0	0	0	110.9
505	T	31	Very low	31.9	Very low	140 Å²	140	148.1 Å²	148.1	86%	0.859	79%	0.789	S	S	*	*				-158.6	144.3	119.9	21.1	0	0	0	0	111
506	R	35.9	Very low	31.9	Very low	213 Å²	213	144.8 Å²	144.8	80%	0.804	78%	0.779	S	S	*	*			trans	-103.3	132.8	-179.9	159.7	-168.9	172.2	-159.3	1.3	109.8
507	T	30.5	Very low	32.1	Very low	141 Å²	141	146.3 Å²	146.3	87%	0.865	79%	0.786	S	S	*	*			trans	-141.7	132.5	161.5	41.3	0	0	0	0	110.7
508	L	32.6	Very low	32.2	Very low	150 Å²	150	150.4 Å²	150.4	79%	0.785	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-81.5	144.9	174.1	-70.4	154.8	0	0	0	110.1
509	R	29.2	Very low	32.3	Very low	207 Å²	207	154.7 Å²	154.7	78%	0.781	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-92	149.6	165.5	-96.6	179.8	165.7	-106	6.8	110	D512	R509-D512 IonicContact CZ-OD2 2.89Å; R509-D512 IonicContact NH1-OD1 2.73Å; R509-D512 IonicContact NH1-OD2 3.87Å; R509-D512 PolarHBondContact NH1-OD2 3.31Å
510	A	30.3	Very low	32.4	Very low	76 Å²	76	152.8 Å²	152.8	63%	0.628	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-94.3	160.2	151.1	0	0	0	0	0	108.7
511	P	45.7	Very low	33.7	Very low	130 Å²	130	147.5 Å²	147.5	84%	0.844	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.8	152.5	171.8	-17.8	33	0	0	0	112.7
512	D	33.4	Very low	33.5	Very low	125 Å²	125	145 Å²	145	67%	0.668	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-93.7	153.6	-175.5	-59.9	-67.7	0	0	0	112.4	R509	R509-D512 IonicContact CZ-OD2 2.89Å; R509-D512 IonicContact NH1-OD1 2.73Å; R509-D512 IonicContact NH1-OD2 3.87Å; R509-D512 PolarHBondContact NH1-OD2 3.31Å
513	P	38.3	Very low	33.5	Very low	118 Å²	118	138.8 Å²	138.8	77%	0.766	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-98.9	166.2	172.9	38.8	-34.7	0	0	0	113.3
514	M	31.3	Very low	33.5	Very low	176 Å²	176	136.1 Å²	136.1	87%	0.867	79%	0.79	S	S	*	*			trans	148.6	160.3	151.3	-86.1	-71.6	-92.6	0	0	111.2
515	P	46.8	Very low	33.2	Very low	114 Å²	114	138.6 Å²	138.6	74%	0.74	80%	0.795	S	S	*	*			cis	-125.7	-174.8	-14.1	40.3	-25.5	0	0	0	113.1
516	G	28.4	Very low	32.9	Very low	75 Å²	75	134.6 Å²	134.6	77%	0.773	78%	0.782	S	S	*	*			trans	133.8	67.7	150	0	0	0	0	0	120.4
517	A	30.3	Very low	32.5	Very low	97 Å²	97	132.1 Å²	132.1	80%	0.802	78%	0.784	S	S	*	*			trans	15.7	132	152.7	0	0	0	0	0	124
518	K	27.8	Very low	32.9	Very low	197 Å²	197	130.3 Å²	130.3	86%	0.857	78%	0.777	S	S	*	*			trans	82.3	133.1	138.7	-90.5	-173.8	175.8	-176.5	0	122.3
519	L	30.1	Very low	33.4	Very low	167 Å²	167	128.4 Å²	128.4	87%	0.874	77%	0.774	S	S	*	*			trans	90	149.6	153.3	-67.5	166.1	0	0	0	120.1
520	E	26.7	Very low	34.1	Very low	174 Å²	174	124.4 Å²	124.4	81%	0.813	77%	0.772	S	S	*	*			trans	-93.9	177.7	-174.3	-63	-88.6	144.7	0	0	110.8
521	P	53.6	Low	34.4	Very low	116 Å²	116	127 Å²	127	75%	0.753	78%	0.782	S	S	*	*				-138.2	175.5	-54.8	40.3	-25.1	0	0	0	113.3
522	G	27.3	Very low	33.6	Very low	73 Å²	73	124.2 Å²	124.2	75%	0.753	78%	0.777	S	S	*	*			trans	100.6	-170.4	148	0	0	0	0	0	118.5
523	A	30.9	Very low	33.3	Very low	96 Å²	96	121.5 Å²	121.5	79%	0.793	78%	0.779	S	S	*	*			trans	67.3	115.9	-174.2	0	0	0	0	0	114.9
524	M	28.9	Very low	32.8	Very low	167 Å²	167	122.5 Å²	122.5	82%	0.823	78%	0.783	S	S	*	*				64	112.3	88.3	-62.5	-53	-174.9	0	0	112.5
525	D	27.5	Very low	32.9	Very low	158 Å²	158	119.8 Å²	119.8	85%	0.845	78%	0.775	S	S	*	*				78.9	147.5	82.9	-119.1	-17.9	0	0	0	112.9
526	G	26.2	Very low	32	Very low	57 Å²	57	121 Å²	121	59%	0.588	77%	0.774	S	S	*	*			trans	97.7	108.4	-167.1	0	0	0	0	0	111.2
527	L	27.4	Very low	32.1	Very low	160 Å²	160	126.3 Å²	126.3	84%	0.838	78%	0.776	S	S	*	*				62.4	120.1	63.4	-51.6	171.4	0	0	0	111.5
528	S	37.4	Very low	32.3	Very low	104 Å²	104	127.6 Å²	127.6	73%	0.727	77%	0.774	S	S	*	*				67.7	156.4	56.1	-67.6	0	0	0	0	113.5
529	P	44.8	Very low	32.4	Very low	110 Å²	110	125.8 Å²	125.8	71%	0.714	77%	0.769	S	S	*	*			cis	-143.6	-167.5	-14.5	27.7	-2.4	0	0	0	115
530	V	43	Very low	33.1	Very low	122 Å²	122	123.3 Å²	123.3	74%	0.739	76%	0.763	S	S	*	*			trans	64.5	-175.8	159.7	-121.8	0	0	0	0	115.6
531	P	36.6	Very low	33.7	Very low	131 Å²	131	118.3 Å²	118.3	85%	0.851	75%	0.751	S	S	*	*			cis	-113	150.4	19.6	39.8	-27.1	0	0	0	117.9
532	G	29	Very low	33	Very low	72 Å²	72	119.6 Å²	119.6	74%	0.742	75%	0.752	S	S	*	*			trans	108.8	139.3	165	0	0	0	0	0	115.9
533	G	27.3	Very low	33.3	Very low	68 Å²	68	122.4 Å²	122.4	70%	0.701	75%	0.747	S	S	*	*			cis	160.3	112.2	-15.5	0	0	0	0	0	117.4
534	V	26.8	Very low	33.6	Very low	139 Å²	139	123.6 Å²	123.6	84%	0.842	74%	0.74	S	S	*	*			trans	70.7	164.9	148.1	-157.1	0	0	0	0	117.8
535	V	33.7	Very low	34	Very low	118 Å²	118	122.6 Å²	122.6	72%	0.715	73%	0.733	S	S	*	*			trans	74.8	116.3	168.9	-166.7	0	0	0	0	114.5
536	I	29.4	Very low	34.6	Very low	140 Å²	140	123.6 Å²	123.6	72%	0.718	73%	0.726	S	S	*	*			cis	79.4	103.8	20.8	-53.1	-179.6	0	0	0	115.6
537	K	29.3	Very low	35.1	Very low	187 Å²	187	126.2 Å²	126.2	81%	0.813	73%	0.727	S	S	*	*			trans	68.9	155.4	-179.9	-55.3	169.9	-179.8	-179.4	0	113
538	T	34.4	Very low	35.6	Very low	124 Å²	124	125 Å²	125	76%	0.761	72%	0.717	S	S	*	*			cis	-150.3	154.9	6.4	-19.6	0	0	0	0	109.7
539	E	31.1	Very low	35.4	Very low	158 Å²	158	127.8 Å²	127.8	74%	0.738	72%	0.718	S	S	*	*			trans	-63.8	150.1	148.9	-98	-76.2	143.3	0	0	109.2	A541	E539-A541 PolarHBondContact OE2-N 2.98Å
540	P	44.1	Very low	34.5	Very low	115 Å²	115	126.5 Å²	126.5	75%	0.747	72%	0.724	S	S	*	*				-145.6	138.5	111.2	35.5	-20.4	0	0	0	116.9
541	A	38	Very low	33.7	Very low	70 Å²	70	124.9 Å²	124.9	58%	0.579	73%	0.732	S	S	*	*			trans	82.6	134	135.3	0	0	0	0	0	118.3	E539	E539-A541 PolarHBondContact OE2-N 2.98Å
542	D	40.1	Very low	33.1	Very low	143 Å²	143	122.1 Å²	122.1	77%	0.765	73%	0.728	S	S	*	*			cis	-167.8	156	-1.8	-115	-0.5	0	0	0	108.3
543	M	32.7	Very low	33.1	Very low	132 Å²	132	125.2 Å²	125.2	65%	0.65	73%	0.732	S	S	*	*			cis	-145.1	160.3	7.5	-91	-71.1	-108	0	0	109.4
544	D	37.9	Very low	33.2	Very low	120 Å²	120	128.4 Å²	128.4	64%	0.642	74%	0.738	S	S	*	*			trans	46.7	149.1	142	-59.3	-15.4	0	0	0	123.1
545	E	37.7	Very low	33.3	Very low	146 Å²	146	129.9 Å²	129.9	68%	0.682	74%	0.736	S	S	*	*			cis	-159.7	161.8	-13.5	-118.9	-162.5	139.7	0	0	110.8
546	Y	39.3	Very low	34.4	Very low	179 Å²	179	129 Å²	129	70%	0.702	73%	0.732	S	S	*	*			trans	67.5	118.4	154.3	-86.3	-135.7	0	0	0	121.1
547	L	38	Very low	35.6	Very low	113 Å²	113	127.3 Å²	127.3	59%	0.592	73%	0.731	S	S	*	*				72.7	137.9	83.9	-60.1	-160.7	0	0	0	113.3
548	Q	36.5	Very low	35.8	Very low	135 Å²	135	124 Å²	124	63%	0.631	73%	0.725	S	S	*	*			cis	-164	173.4	5.8	-121.8	167.4	-13.6	0	0	113.2
549	H	34.1	Very low	35.6	Very low	162 Å²	162	126.4 Å²	126.4	75%	0.75	73%	0.733	S	S	*	*			trans	22.6	138.9	156.2	-51.6	-53.4	0	0	0	121.2
550	G	24.7	Very low	35.5	Very low	82 Å²	82	122.8 Å²	122.8	85%	0.845	74%	0.738	S	S	*	*			cis	102.1	114.7	14.8	0	0	0	0	0	113.1
551	G	26.1	Very low	34.7	Very low	88 Å²	88	121.2 Å²	121.2	91%	0.907	74%	0.742	S	S	*	*			trans	140.1	142.5	161.5	0	0	0	0	0	117.8
552	G	25.1	Very low	34.3	Very low	74 Å²	74	121.8 Å²	121.8	76%	0.763	76%	0.755	S	S	*	*			trans	123.3	62.3	138.5	0	0	0	0	0	121.5
553	V	29.8	Very low	33.7	Very low	136 Å²	136	119 Å²	119	82%	0.824	76%	0.76	S	S	*	*			trans	32	146	135.4	-147.6	0	0	0	0	122.3
554	T	28.3	Very low	33.6	Very low	135 Å²	135	116.4 Å²	116.4	83%	0.828	77%	0.767	S	S	*	*			trans	109.4	138.4	142.8	-17.1	0	0	0	0	118.4
555	Q	29.8	Very low	33.3	Very low	171 Å²	171	113.3 Å²	113.3	80%	0.799	76%	0.764	S	S	*	*			trans	-105.6	-160.3	-171.4	-144.3	-158	64.5	0	0	109.5
556	P	55.4	Low	33	Very low	98 Å²	98	117.7 Å²	117.7	64%	0.636	78%	0.776	S	S	*	*			trans	-106.1	-126.3	-130.4	34.5	-11.3	0	0	0	110.5
557	P	54.6	Low	32.6	Very low	106 Å²	106	112.5 Å²	112.5	69%	0.688	78%	0.777	S	S	*	*			cis	-135.6	-157.1	-23.9	22.5	4.4	0	0	0	114
558	V	33.8	Very low	32.3	Very low	116 Å²	116	118 Å²	118	70%	0.703	79%	0.79	S	S	*	*			trans	106.2	105.6	145.7	-177.5	0	0	0	0	119
559	L	31.1	Very low	32.1	Very low	176 Å²	176	122.3 Å²	122.3	92%	0.921	80%	0.8	S	S	*	*			trans	48.2	138.7	138	-55.7	175.1	0	0	0	122.7
560	G	27.8	Very low	31.9	Very low	81 Å²	81	119.1 Å²	119.1	84%	0.835	80%	0.796	S	S	*	*			trans	174	124.5	159.5	0	0	0	0	0	109.6
561	G	28.1	Very low	32.4	Very low	82 Å²	82	120.9 Å²	120.9	85%	0.845	80%	0.795	S	S	*	*			trans	-139.3	168.1	-171.4	0	0	0	0	0	115.2
562	G	28.5	Very low	32.6	Very low	82 Å²	82	121.8 Å²	121.8	85%	0.845	79%	0.787	S	S	*	*			trans	97.8	167.5	162	0	0	0	0	0	117
563	G	28.9	Very low	33	Very low	85 Å²	85	123.8 Å²	123.8	88%	0.876	79%	0.789	S	S	*	*			trans	80.7	105.1	162	0	0	0	0	0	116.1
564	G	30.6	Very low	33	Very low	77 Å²	77	121.2 Å²	121.2	79%	0.794	79%	0.79	S	S	*	*			trans	-103.8	176.3	174	0	0	0	0	0	114.2
565	G	30	Very low	33.3	Very low	56 Å²	56	126.4 Å²	126.4	58%	0.577	80%	0.795	S	S	*	*			trans	103.3	140.9	159.2	0	0	0	0	0	116.4
566	Y	32.1	Very low	33.6	Very low	237 Å²	237	128.6 Å²	128.6	93%	0.929	80%	0.801	S	S	*	*			trans	65.1	154.9	162.5	-21.2	-72.8	0	0	0	115.7
567	G	31.1	Very low	32.6	Very low	70 Å²	70	134.4 Å²	134.4	72%	0.722	81%	0.811	S	S	*	*			cis	178	110	-12.3	0	0	0	0	0	113.4
568	R	32.7	Very low	32.4	Very low	229 Å²	229	134.9 Å²	134.9	86%	0.864	81%	0.814	S	S	*	*			trans	35.6	135.7	151.6	-110.9	-177.2	-172.7	-96.6	6.3	121.2
569	R	31.4	Very low	32.2	Very low	225 Å²	225	133.1 Å²	133.1	85%	0.849	81%	0.807	S	S	*	*			trans	88.6	156.6	161.2	-56.3	174.7	-172.2	-148.4	3.3	116.3
570	S	30.2	Very low	32.3	Very low	95 Å²	95	135.5 Å²	135.5	66%	0.664	80%	0.803	S	S	*	*			cis	-176.4	148.3	-37.3	55.2	0	0	0	0	111.1
571	S	34.6	Very low	32.6	Very low	119 Å²	119	138.8 Å²	138.8	83%	0.832	80%	0.801	S	S	*	*			trans	68.6	166	173.4	81.4	0	0	0	0	115
572	C	30.1	Very low	32.7	Very low	107 Å²	107	144.5 Å²	144.5	72%	0.723	80%	0.797	S	S	*	*			cis	-154.5	157.1	19.1	52.3	0	0	0	0	115.4
573	S	33.2	Very low	32.9	Very low	117 Å²	117	145 Å²	145	82%	0.818	78%	0.784	S	S	*	*			trans	44.6	130.2	148.8	59.7	0	0	0	0	123.8
574	G	31	Very low	32.9	Very low	82 Å²	82	148.5 Å²	148.5	85%	0.845	78%	0.777	S	S	*	*			trans	-159	141.4	157.3	0	0	0	0	0	112.2
575	R	35.3	Very low	33	Very low	244 Å²	244	155.5 Å²	155.5	92%	0.921	78%	0.78	S	S	*	*			trans	-116.4	149	-175.3	-73	178.2	168.2	-173.6	-2.2	112.7
576	K	35.8	Very low	33	Very low	216 Å²	216	158.3 Å²	158.3	94%	0.939	79%	0.786	S	S	*	*			trans	-172.2	162.6	132.8	-100.9	156.4	-174.8	-178.6	0	112.7
577	R	33.1	Very low	32.9	Very low	220 Å²	220	155.1 Å²	155.1	83%	0.83	78%	0.783	S	S	*	*			trans	-155.5	172.5	-177.7	-120.8	-171.3	175.6	179.8	1.4	107.1
578	P	51.8	Low	32.7	Very low	116 Å²	116	158.7 Å²	158.7	75%	0.753	78%	0.779	S	S	*	*			cis	-88.4	-165.6	33	-12.7	33.5	0	0	0	114.4
579	S	28.3	Very low	32.3	Very low	80 Å²	80	151.7 Å²	151.7	56%	0.559	76%	0.764	S	S	*	*			cis	-129.4	-171.9	15.9	-56.5	0	0	0	0	110.9
580	R	34.6	Very low	32	Very low	225 Å²	225	148.9 Å²	148.9	85%	0.849	76%	0.761	S	S	*	*			cis	69.6	141.3	16.8	-71	-168.1	177.9	-161.9	-0.5	115.5
581	L	33.2	Very low	31.7	Very low	151 Å²	151	147.5 Å²	147.5	79%	0.791	76%	0.762	S	S	*	*			cis	-118.3	-174.6	-15.2	-82.8	-174.9	0	0	0	108.2
582	R	29.8	Very low	31.3	Very low	202 Å²	202	147.1 Å²	147.1	76%	0.762	76%	0.759	S	S	*	*			cis	-129.9	-105.4	5.6	-165.7	-163.3	138	148.6	-6.5	112.5
583	T	33.4	Very low	31.1	Very low	92 Å²	92	148.6 Å²	148.6	56%	0.564	76%	0.76	S	S	*	*			trans	-159.4	166.5	-161.1	60.5	0	0	0	0	110.1
584	E	27.7	Very low	30.7	Very low	158 Å²	158	148.5 Å²	148.5	74%	0.738	76%	0.758	S	S	*	*			cis	-130.8	148	16.9	-72.7	177.4	104.4	0	0	110.3
585	R	33.6	Very low	30.6	Very low	224 Å²	224	152.9 Å²	152.9	85%	0.845	76%	0.756	S	S	*	*				63.1	141.7	72.4	-61.9	-175	163.1	-179.4	-5.8	113.6
586	T	29.6	Very low	30.7	Very low	116 Å²	116	146.2 Å²	146.2	71%	0.712	75%	0.745	S	S	*	*			cis	-163.8	141	45.9	-55.7	0	0	0	0	116.2
587	I	30.6	Very low	30.2	Very low	169 Å²	169	145.1 Å²	145.1	87%	0.867	74%	0.74	S	S	*	*			trans	73.1	176.3	153.5	-73.4	171.2	0	0	0	122.2
588	K	26.4	Very low	29.9	Very low	145 Å²	145	139 Å²	139	63%	0.63	74%	0.736	S	S	*	*			trans	-141.7	-179	-169.8	-171.1	-139.1	147.1	-133.6	0	109.8	E590	K588-E590 IonicContact NZ-OE1 3.02Å; K588-E590 PolarHBondContact NZ-OE1 2.99Å; K588-E590 IonicContact NZ-OE2 2.71Å; K588-E590 PolarHBondContact NZ-OE2 3.25Å
589	C	25.1	Very low	28.6	Very low	83 Å²	83	138.7 Å²	138.7	56%	0.561	74%	0.744	S	S	*	*			trans	96.1	121.9	159	-62.7	0	0	0	0	116
590	E	23.8	Very low	28.4	Very low	165 Å²	165	138.2 Å²	138.2	77%	0.771	75%	0.752	S	S	*	*				78.3	141.1	82.9	-69.6	158.8	166.2	0	0	113	K588	K588-E590 IonicContact NZ-OE1 3.02Å; K588-E590 PolarHBondContact NZ-OE1 2.99Å; K588-E590 IonicContact NZ-OE2 2.71Å; K588-E590 PolarHBondContact NZ-OE2 3.25Å
591	G	24.8	Very low	28.1	Very low	66 Å²	66	138 Å²	138	68%	0.68	75%	0.751	S	S	*	*			cis	-175.2	-166.3	-0.3	0	0	0	0	0	111
592	S	26.6	Very low	28	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	75%	0.745	S	S	*	*			trans	68.1	149.3	172.8	-75	0	0	0	0	117.9
593	D	25.6	Very low	28	Very low	137 Å²	137	130.3 Å²	130.3	73%	0.733	74%	0.741	S	S	*	*			cis	-158.6	168.7	-8.9	-119.4	-41.9	0	0	0	115.2
594	C	24.8	Very low	27.9	Very low	115 Å²	115	127.6 Å²	127.6	78%	0.777	73%	0.732	S	S	*	*			trans	61.6	112.9	156.1	-67.2	0	0	0	0	123.4
595	E	29.5	Very low	27.9	Very low	175 Å²	175	125.6 Å²	125.6	82%	0.818	73%	0.726	S	S	*	*			trans	-83.5	152.5	140.2	-91.3	-84.2	155.3	0	0	109.6
596	P	36.5	Very low	27.7	Very low	104 Å²	104	120.5 Å²	120.5	68%	0.675	72%	0.719	S	S	*	*				-157.9	150.8	105.4	37.8	-18	0	0	0	119.4
597	F	26.6	Very low	27.6	Very low	193 Å²	193	118.6 Å²	118.6	85%	0.846	71%	0.705	S	S	*	*			trans	50.8	110.6	139.5	-78.6	-102	0	0	0	123.4
598	A	25.3	Very low	27.5	Very low	90 Å²	90	116.6 Å²	116.6	74%	0.744	70%	0.695	S	S	*	*				57.4	132.3	116.6	0	0	0	0	0	125.6
599	A	25	Very low	27.4	Very low	111 Å²	111	112.2 Å²	112.2	92%	0.917	68%	0.682	S	S	*	*			trans	87.2	149.7	140.4	0	0	0	0	0	122.8
600	G	24.9	Very low	27.5	Very low	70 Å²	70	116 Å²	116	72%	0.722	69%	0.69	S	S	*	*			trans	98	125.9	178.2	0	0	0	0	0	113.8
601	R	26.9	Very low	27.5	Very low	220 Å²	220	112.1 Å²	112.1	83%	0.83	69%	0.686	S	S	*	*			cis	66.6	133.2	20.6	-62.3	-166.6	66.2	-170.4	-4.9	114.8
602	D	31.5	Very low	27.7	Very low	126 Å²	126	116.1 Å²	116.1	67%	0.674	69%	0.691	S	S	*	*			cis	-150.7	172.6	-3.9	-86.9	-20.8	0	0	0	107.5
603	G	30.8	Very low	27.6	Very low	65 Å²	65	120.4 Å²	120.4	67%	0.67	69%	0.691	S	S	*	*			cis	147.9	172.2	-2.6	0	0	0	0	0	112.7
604	G	30	Very low	28.1	Very low	36 Å²	36	122.2 Å²	122.2	37%	0.371	69%	0.694	S	S	.	*			trans	93.3	150.9	169.6	0	0	0	0	0	115	A438 R439	A438-G604 CarbonylContact C-O 3.57Å; A438-G604 PolarHBondContact O-N 3.09Å; R439-G604 WeakPolarHBondContact CB-O 3.4Å; R439-G604 PolarHBondContact N-O 2.75Å
605	N	29.1	Very low	28.4	Very low	116 Å²	116	125.6 Å²	125.6	62%	0.62	69%	0.691	S	S	*	*			cis	-152.7	165.7	-1.5	-142.2	1.8	0	0	0	107.4	A438	A438-N605 VanDerWaalsContact CB-C 3.5Å; A438-N605 VanDerWaalsContact CB-O 3.29Å; A438-N605 WeakPolarHBondContact CB-O 3.23Å
606	V	29.2	Very low	28.3	Very low	116 Å²	116	122.2 Å²	122.2	70%	0.703	68%	0.678	S	S	*	*			cis	-142.9	165.6	13	-157.6	0	0	0	0	110
607	L	27.3	Very low	27.7	Very low	77 Å²	77	126.3 Å²	126.3	40%	0.403	68%	0.682	S	S	.	*			trans	-143.9	139.6	166.3	-160.2	174.8	0	0	0	109.2	T435 A436	T435-L607 HydrophobicContact CG2-CD1 4.4Å; T435-L607 HydrophobicContact CG2-CD2 3.83Å; A436-L607 HydrophobicContact CB-CB 3.75Å; A436-L607 HydrophobicContact CB-CD1 4.17Å
608	L	27	Very low	27.6	Very low	127 Å²	127	123.9 Å²	123.9	67%	0.665	68%	0.678	S	S	*	*			trans	172.7	127.8	147.2	-88.2	156.8	0	0	0	105.7	T435	T435-L608 HydrophobicContact CG2-CD2 3.97Å; T435-L608 HydrophobicContact CG2-CG 4.37Å
609	S	25.4	Very low	27.6	Very low	52 Å²	52	123 Å²	123	36%	0.364	68%	0.676	S	S	.	*				87.2	146.8	50.9	177.4	0	0	0	0	113.1	R433	R433-S609 PolarHBondContact NH2-OG 2.66Å
610	F	26.4	Very low	27.7	Very low	163 Å²	163	123.9 Å²	123.9	72%	0.715	67%	0.671	S	S	*	*			trans	75.3	151.3	-175.3	-62.3	-85.3	0	0	0	114
611	A	25.1	Very low	27.9	Very low	84 Å²	84	124.2 Å²	124.2	69%	0.694	67%	0.666	S	S	*	*			cis	-151.9	166.5	-12.6	0	0	0	0	0	110.9
612	D	28.6	Very low	28	Very low	149 Å²	149	121.7 Å²	121.7	80%	0.797	67%	0.669	S	S	*	*			trans	-62.7	131.4	153.7	162.5	35.4	0	0	0	110
613	R	24.9	Very low	27.9	Very low	203 Å²	203	118.9 Å²	118.9	77%	0.766	67%	0.67	S	S	*	*			trans	-163.9	127.2	147	-119.9	173.9	-177.2	171.7	0.9	115.1
614	H	35.2	Very low	28	Very low	174 Å²	174	121.5 Å²	121.5	81%	0.806	68%	0.678	S	S	*	*			trans	-60.3	142.7	148.1	-123.8	-99.2	0	0	0	110.8
615	R	31.9	Very low	28.2	Very low	186 Å²	186	129 Å²	129	70%	0.702	70%	0.701	S	S	*	*			trans	-164.2	114.1	161.3	-119.5	163.8	175.9	-162.1	-3.6	110.3
616	D	26.1	Very low	28.1	Very low	105 Å²	105	128.3 Å²	128.3	56%	0.561	71%	0.705	S	S	*	*				76.9	141.8	85.6	-58.9	-11.1	0	0	0	111.7
617	Y	24	Very low	28.2	Very low	190 Å²	190	130.7 Å²	130.7	75%	0.745	71%	0.713	S	S	*	*			cis	-163.6	160.7	-2.5	-135.3	-122.1	0	0	0	110.7
618	N	25.4	Very low	28.3	Very low	142 Å²	142	137.9 Å²	137.9	76%	0.759	73%	0.734	S	S	*	*			trans	58	147.8	155.8	-83.7	-4.1	0	0	0	123.8
619	G	25.6	Very low	28.5	Very low	70 Å²	70	142.4 Å²	142.4	72%	0.722	74%	0.742	S	S	*	*			trans	143	58.1	171.6	0	0	0	0	0	113.4
620	V	27.5	Very low	28.8	Very low	131 Å²	131	145.5 Å²	145.5	79%	0.794	76%	0.755	S	S	*	*				80.3	128.3	81.8	174.3	0	0	0	0	114.9
621	A	27.2	Very low	29	Very low	76 Å²	76	146.7 Å²	146.7	63%	0.628	76%	0.76	S	S	*	*			trans	80.3	110.5	162.2	0	0	0	0	0	122
622	N	29.6	Very low	29.7	Very low	168 Å²	168	148.2 Å²	148.2	90%	0.898	77%	0.766	S	S	*	*			trans	66.4	134.7	134.7	-57.2	-16.6	0	0	0	122.1
623	G	28.6	Very low	29.8	Very low	66 Å²	66	151.1 Å²	151.1	68%	0.68	77%	0.771	S	S	*	*			cis	163.8	170.8	-10.7	0	0	0	0	0	116.5
624	S	33.6	Very low	30.3	Very low	121 Å²	121	147.1 Å²	147.1	85%	0.846	77%	0.774	S	S	*	*			trans	69.4	145.9	164.7	-55.5	0	0	0	0	117.6
625	K	33.5	Very low	29.9	Very low	194 Å²	194	143.9 Å²	143.9	84%	0.843	77%	0.771	S	S	*	*			cis	-143.2	158.2	25.3	-63.5	170.6	179.7	176.9	0	113.5
626	S	29	Very low	29.9	Very low	101 Å²	101	140.9 Å²	140.9	71%	0.706	78%	0.777	S	S	*	*			trans	42.2	118.4	152.6	54.6	0	0	0	0	120.5
627	L	30.1	Very low	29.9	Very low	166 Å²	166	146.9 Å²	146.9	87%	0.869	79%	0.792	S	S	*	*				57.2	129.1	75.2	-60.4	174.1	0	0	0	113.2
628	R	30.2	Very low	30.4	Very low	227 Å²	227	143.6 Å²	143.6	86%	0.857	80%	0.797	S	S	*	*			cis	-139.5	147.9	28.4	-65	179.4	176.3	-164.7	-1.9	111
629	R	29.9	Very low	30.8	Very low	222 Å²	222	145.6 Å²	145.6	84%	0.838	80%	0.801	S	S	*	*				56.1	126	90.4	-142.7	178.7	173.4	151.6	4.2	112.7
630	D	32.3	Very low	31.1	Very low	118 Å²	118	149.7 Å²	149.7	63%	0.631	81%	0.807	S	S	*	*			cis	-149.5	167.4	48.1	-135.3	-43.3	0	0	0	117.8
631	K	31.1	Very low	31.4	Very low	188 Å²	188	153.8 Å²	153.8	82%	0.817	81%	0.814	S	S	*	*			trans	22.8	110.3	167.1	-83.8	163.4	-176.9	170.6	0	121.2
632	S	39.6	Very low	31.6	Very low	116 Å²	116	154.2 Å²	154.2	81%	0.811	82%	0.818	S	S	*	*			trans	-88.4	147.2	139.2	52.8	0	0	0	0	111.1
633	K	31.5	Very low	32	Very low	210 Å²	210	156.2 Å²	156.2	91%	0.913	82%	0.819	S	S	*	*			trans	-158.7	138.8	154.9	-133.6	178.5	-175.6	-174.8	0	111.5
634	S	34.4	Very low	32.3	Very low	118 Å²	118	163.1 Å²	163.1	83%	0.825	83%	0.83	S	S	*	*			trans	-85.2	152	176.1	47.3	0	0	0	0	111.9
635	S	26	Very low	32.4	Very low	107 Å²	107	167.2 Å²	167.2	75%	0.748	83%	0.832	S	S	*	*			trans	-157.9	122.9	151.8	-172.3	0	0	0	0	109.6
636	C	31.9	Very low	32.5	Very low	123 Å²	123	169.2 Å²	169.2	83%	0.831	84%	0.835	S	S	*	*			trans	-80	137.5	163.1	47	0	0	0	0	109.2
637	R	27.3	Very low	32.8	Very low	231 Å²	231	174.4 Å²	174.4	87%	0.872	84%	0.839	S	S	*	*			trans	-139.5	122.8	157.6	-80.7	-164	166.8	178.9	-5.4	110.2
638	S	35.1	Very low	33.2	Very low	120 Å²	120	173.4 Å²	173.4	84%	0.839	83%	0.833	S	S	*	*			trans	-62.8	146.9	160.8	33.9	0	0	0	0	110.2
639	Q	32.4	Very low	33.6	Very low	184 Å²	184	166.8 Å²	166.8	86%	0.86	82%	0.818	S	S	*	*			trans	-145.2	138.3	161.8	-84.4	-156.2	-27.7	0	0	111
640	D	32	Very low	33.9	Very low	157 Å²	157	166.1 Å²	166.1	84%	0.84	82%	0.815	S	S	*	*			trans	-62.5	133.4	-177.5	-57.8	-95.3	0	0	0	113.4	A642	D640-A642 VanDerWaalsContact C-N 3.28Å; D640-A642 PolarHBondContact O-N 2.9Å
641	K	34.3	Very low	34.1	Very low	216 Å²	216	166.4 Å²	166.4	94%	0.939	81%	0.808	S	S	*	*			trans	-82.4	81.1	166.8	-74.8	-176.2	177.4	172.6	0	110
642	A	31.6	Very low	34.4	Very low	86 Å²	86	160.7 Å²	160.7	71%	0.711	79%	0.787	S	S	*	*			trans	-49.1	147.4	-176	0	0	0	0	0	114.9	D640 K644	D640-A642 VanDerWaalsContact C-N 3.28Å; D640-A642 PolarHBondContact O-N 2.9Å; A642-K644 PolarHBondContact O-N 3.32Å
643	K	37.7	Very low	34.8	Very low	210 Å²	210	158.2 Å²	158.2	91%	0.913	77%	0.773	S	S	*	*			trans	-56.3	119.5	-177.8	-64.3	166.5	-178	169.6	0	111.3	K645	K643-K645 PolarHBondContact O-N 2.61Å
644	K	35.1	Very low	35.2	Very low	210 Å²	210	154.8 Å²	154.8	91%	0.913	76%	0.76	S	S	*	*			trans	-61.2	96.7	175.4	-104.6	-177.5	177.4	175.7	0	111.2	A642 R646	A642-K644 PolarHBondContact O-N 3.32Å; K644-R646 PolarHBondContact O-N 3.39Å; K644-R646 VanDerWaalsContact O-N 3.15Å
645	K	36.1	Very low	35.5	Very low	207 Å²	207	154 Å²	154	90%	0.9	75%	0.746	S	S	*	*			trans	-62.8	109.5	179.2	-153	170.1	-171.6	173.7	0	109.6	K643 R647	K643-K645 PolarHBondContact O-N 2.61Å; K645-R647 PolarHBondContact O-N 3.05Å
646	R	35.6	Very low	36.4	Very low	237 Å²	237	152.5 Å²	152.5	89%	0.894	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-62.8	125.6	178.1	-82.6	-175.3	169.6	-175.1	-3	110.1	K644 I648	K644-R646 PolarHBondContact O-N 3.39Å; K644-R646 VanDerWaalsContact O-N 3.15Å; R646-I648 PolarHBondContact O-N 3.01Å
647	R	34.8	Very low	37.1	Very low	209 Å²	209	152.9 Å²	152.9	79%	0.789	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-65.9	118	175	177.2	173.4	162.2	-161.7	-2.1	109.7	K645 D673	K645-R647 PolarHBondContact O-N 3.05Å; R647-D673 IonicContact CZ-OD2 3.07Å; R647-D673 IonicContact NH2-OD2 2.63Å; R647-D673 PolarHBondContact NH2-OD2 3.02Å
648	I	37.4	Very low	37.8	Very low	146 Å²	146	149.5 Å²	149.5	75%	0.749	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-82.2	121.7	179.4	-60.7	173.4	0	0	0	109	R646 R650	R646-I648 PolarHBondContact O-N 3.01Å; I648-R650 PolarHBondContact O-N 3.2Å
649	T	38.5	Very low	38.4	Very low	88 Å²	88	151.6 Å²	151.6	54%	0.54	72%	0.718	S	S	.	*			trans	-71.1	113.7	166.2	20	0	0	0	0	109.9
650	R	36.5	Very low	38.9	Very low	207 Å²	207	148.5 Å²	148.5	78%	0.781	72%	0.717	S	S	*	*			trans	-84.1	140.8	168.1	-64.2	-171.2	-178.9	-156.7	1.5	110.1	I648	I648-R650 PolarHBondContact O-N 3.2Å
651	Y	36.5	Very low	39.8	Very low	124 Å²	124	144.3 Å²	144.3	49%	0.486	71%	0.711	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.8	134.9	169.3	-67.7	-101.3	0	0	0	107	R670	Y651-R670 HydrophobicContact CD1-CB 4.21Å; Y651-R670 HydrophobicContact CE1-CB 4Å; Y651-R670 HydrophobicContact CE1-CG 4.31Å
652	D	39.1	Very low	40.3	Very low	69 Å²	69	138.1 Å²	138.1	37%	0.369	71%	0.709	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.2	127.6	169.7	-65.1	-10.1	0	0	0	107.7	R669 R671	D652-R669 PolarHBondContact N-O 3.08Å; D652-R669 PolarHBondContact O-N 2.87Å; D652-R671 IonicContact OD1-NE 3.45Å; D652-R671 IonicContact OD2-CZ 3.08Å; D652-R671 IonicContact OD2-NE 3.95Å; D652-R671 PolarHBondContact OD2-NE 3.25Å; D652-R671 IonicContact OD2-NH2 3.46Å; D652-R671 PolarHBondContact OD2-NH2 3.46Å
653	A	46.1	Very low	40.7	Very low	64 Å²	64	138.5 Å²	138.5	53%	0.529	70%	0.698	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	114.1	170.9	0	0	0	0	0	107.9	L666 L668	A653-L666 HydrophobicContact CB-CD1 4.4Å; A653-L668 HydrophobicContact CB-CD2 3.73Å
654	Q	41.3	Very low	40.8	Very low	137 Å²	137	132.9 Å²	132.9	64%	0.64	68%	0.683	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.2	112.2	177.2	-158.5	158.6	9.1	0	0	108.9	I656 T667	Q654-I656 HydrophobicContact CG-CG1 4.47Å; Q654-I656 PolarHBondContact O-N 3.18Å; Q654-T667 PolarHBondContact N-O 3.13Å; Q654-T667 VanDerWaalsContact N-O 3.16Å
655	L	40.2	Very low	41	Very low	101 Å²	101	129.2 Å²	129.2	53%	0.529	67%	0.667	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.6	112.1	167.8	-80.3	165.7	0	0	0	107.7	L657 L666	L655-L657 HydrophobicContact CB-CD1 4.28Å; L655-L666 HydrophobicContact CD2-CD1 3.69Å; L655-L666 HydrophobicContact CG-CD1 3.93Å
656	I	45.2	Very low	41.2	Very low	77 Å²	77	122.9 Å²	122.9	40%	0.395	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.5	104.9	171	-64.2	164.7	0	0	0	106.6	Q654 E658	Q654-I656 HydrophobicContact CG-CG1 4.47Å; Q654-I656 PolarHBondContact O-N 3.18Å; I656-E658 HydrophobicContact CG2-CB 4.44Å; I656-E658 HydrophobicContact CG2-CG 3.67Å
657	L	46.9	Very low	41.5	Very low	130 Å²	130	113.5 Å²	113.5	68%	0.681	61%	0.612	S	S	*	*			trans	-96.2	88.9	164.2	-76.4	91.2	0	0	0	108	L655	L655-L657 HydrophobicContact CB-CD1 4.28Å
658	E	40.8	Very low	41.5	Very low	160 Å²	160	108.4 Å²	108.4	75%	0.748	60%	0.599	S	S	*	*			trans	-83.9	126.5	164.2	-79.2	162.1	171.8	0	0	108.3	I656 S660	I656-E658 HydrophobicContact CG2-CB 4.44Å; I656-E658 HydrophobicContact CG2-CG 3.67Å; E658-S660 PolarHBondContact O-N 2.78Å
659	N	48.4	Very low	41.7	Very low	165 Å²	165	111.1 Å²	111.1	88%	0.882	60%	0.6	S	S	*	*	S	Bend	trans	-77.3	83.1	-170.9	-95.3	-13.6	0	0	0	112.5
660	S	43.7	Very low	41.6	Very low	118 Å²	118	115.3 Å²	115.3	83%	0.825	61%	0.606	S	S	*	*	S	Bend	trans	-170.6	117.7	147.9	27.4	0	0	0	0	110.5	E658	E658-S660 PolarHBondContact O-N 2.78Å
661	G	49.5	Very low	41.6	Very low	70 Å²	70	113.4 Å²	113.4	72%	0.722	60%	0.599	S	S	*	*	S	Bend	trans	103	23.6	170.3	0	0	0	0	0	118.1	I663	G661-I663 VanDerWaalsContact C-N 3.27Å; G661-I663 PolarHBondContact O-N 2.9Å
662	G	44.6	Very low	41.9	Very low	86 Å²	86	118.5 Å²	118.5	89%	0.887	62%	0.617	S	S	*	*	S	Bend	trans	62.3	4.3	148.2	0	0	0	0	0	120.5
663	I	40.8	Very low	41.5	Very low	94 Å²	94	121 Å²	121	48%	0.482	63%	0.63	S	S	.	*			trans	-113.5	110.9	-177.3	-60.5	172.1	0	0	0	109.8	G661 K665 K702	G661-I663 VanDerWaalsContact C-N 3.27Å; G661-I663 PolarHBondContact O-N 2.9Å; I663-K665 PolarHBondContact O-N 2.9Å; I663-K702 HydrophobicContact CG2-CG 4.46Å
664	P	39.2	Very low	40.8	Very low	92 Å²	92	122.5 Å²	122.5	60%	0.597	64%	0.637	S	S	*	*			trans	-67.1	133.8	180	27.1	-33.9	0	0	0	111.5
665	K	39.5	Very low	40.2	Very low	132 Å²	132	122.3 Å²	122.3	57%	0.574	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.3	95.8	-171	-174.7	-178.4	176.9	-174.2	0	111.2	I663	I663-K665 PolarHBondContact O-N 2.9Å
666	L	40.4	Very low	39.7	Very low	74 Å²	74	123 Å²	123	39%	0.387	66%	0.664	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.3	125.8	175.5	-163.4	80.8	0	0	0	110.5	A653 L655	A653-L666 HydrophobicContact CB-CD1 4.4Å; L655-L666 HydrophobicContact CD2-CD1 3.69Å; L655-L666 HydrophobicContact CG-CD1 3.93Å
667	T	42.5	Very low	39.1	Very low	41 Å²	41	125.2 Å²	125.2	25%	0.252	69%	0.687	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.2	124	175	-51.6	0	0	0	0	110.3	Q654	Q654-T667 PolarHBondContact N-O 3.13Å; Q654-T667 VanDerWaalsContact N-O 3.16Å
668	L	35.6	Very low	38.3	Very low	102 Å²	102	128.7 Å²	128.7	53%	0.534	70%	0.697	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98	128.4	177.6	-74	165.8	0	0	0	110.4	A653	A653-L668 HydrophobicContact CB-CD2 3.73Å
669	R	41.2	Very low	37.7	Very low	202 Å²	202	127.4 Å²	127.4	76%	0.762	70%	0.7	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.7	136.4	176.9	-163.7	174.1	-178.6	-179.6	-0.5	110.7	D652	D652-R669 PolarHBondContact N-O 3.08Å; D652-R669 PolarHBondContact O-N 2.87Å
670	R	36.4	Very low	36.9	Very low	176 Å²	176	123.2 Å²	123.2	66%	0.664	69%	0.688	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.6	123	175.7	-174.6	176.8	177.5	179.8	-0.1	109.1	Y651	Y651-R670 HydrophobicContact CD1-CB 4.21Å; Y651-R670 HydrophobicContact CE1-CB 4Å; Y651-R670 HydrophobicContact CE1-CG 4.31Å
671	R	36.9	Very low	36.3	Very low	167 Å²	167	125.6 Å²	125.6	63%	0.63	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-64.4	149.7	169.8	-73	-168.4	177.4	-138.8	-3.1	110.5	D652	D652-R671 IonicContact OD1-NE 3.45Å; D652-R671 IonicContact OD2-CZ 3.08Å; D652-R671 IonicContact OD2-NE 3.95Å; D652-R671 PolarHBondContact OD2-NE 3.25Å; D652-R671 IonicContact OD2-NH2 3.46Å; D652-R671 PolarHBondContact OD2-NH2 3.46Å
672	R	40.8	Very low	35.3	Very low	231 Å²	231	126.1 Å²	126.1	87%	0.872	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-93.3	131.4	157.9	-74	-176	177.9	172.4	-0.9	107.6
673	D	31.6	Very low	34.7	Very low	121 Å²	121	126.5 Å²	126.5	65%	0.647	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-78.6	123.2	163.2	-55.6	-35.7	0	0	0	106.7	R647	R647-D673 IonicContact CZ-OD2 3.07Å; R647-D673 IonicContact NH2-OD2 2.63Å; R647-D673 PolarHBondContact NH2-OD2 3.02Å
674	S	32.3	Very low	34.2	Very low	96 Å²	96	129.7 Å²	129.7	67%	0.671	71%	0.709	S	S	*	*			trans	-151.3	97.2	179.5	-63.3	0	0	0	0	109.8
675	S	27.9	Very low	33.8	Very low	133 Å²	133	129 Å²	129	93%	0.93	71%	0.712	S	S	*	*			trans	-117	92.9	178.4	-58.1	0	0	0	0	109.1
676	S	29.3	Very low	33.4	Very low	115 Å²	115	129.6 Å²	129.6	80%	0.804	73%	0.726	S	S	*	*			trans	-147.1	111.2	171.3	54.5	0	0	0	0	108.2
677	S	32.3	Very low	32.9	Very low	125 Å²	125	130.3 Å²	130.3	87%	0.874	74%	0.742	S	S	*	*			trans	-80.2	155.1	-175.8	43.4	0	0	0	0	113.1
678	K	30	Very low	32.2	Very low	203 Å²	203	133.4 Å²	133.4	88%	0.883	77%	0.766	S	S	*	*			trans	-56.4	148.2	-176.1	-53.8	173	176.2	-177.7	0	115.2
679	T	30	Very low	31.9	Very low	133 Å²	133	133 Å²	133	82%	0.816	77%	0.772	S	S	*	*				-151.4	131	115.6	37.9	0	0	0	0	106.3
680	A	31.7	Very low	31.3	Very low	76 Å²	76	129.6 Å²	129.6	63%	0.628	77%	0.773	S	S	*	*				59	125	82.1	0	0	0	0	0	112
681	D	29.5	Very low	31	Very low	169 Å²	169	129.7 Å²	129.7	90%	0.904	79%	0.786	S	S	*	*			cis	-147.8	179.7	12.5	-73.4	-56.7	0	0	0	112.7
682	G	29.1	Very low	30.7	Very low	80 Å²	80	127.2 Å²	127.2	83%	0.825	79%	0.794	S	S	*	*			trans	133.9	125.7	157.4	0	0	0	0	0	117.1
683	A	32.7	Very low	30.4	Very low	95 Å²	95	122.3 Å²	122.3	79%	0.785	79%	0.792	S	S	*	*			trans	-100.5	172.1	168.9	0	0	0	0	0	110
684	D	30.3	Very low	30.3	Very low	160 Å²	160	123.3 Å²	123.3	86%	0.856	80%	0.803	S	S	*	*			cis	-158.7	-167.9	4.3	-145.7	-39.9	0	0	0	110.1
685	A	29.8	Very low	30.3	Very low	79 Å²	79	124.6 Å²	124.6	65%	0.653	81%	0.812	S	S	*	*			trans	98.5	98.9	151.7	0	0	0	0	0	121.7
686	V	30.6	Very low	30.6	Very low	143 Å²	143	122.3 Å²	122.3	87%	0.867	80%	0.796	S	S	*	*			trans	75.8	136.2	133.3	-170.3	0	0	0	0	121.6
687	A	30.1	Very low	31.1	Very low	89 Å²	89	122.9 Å²	122.9	74%	0.736	80%	0.8	S	S	*	*			trans	-44.3	169.6	178.3	0	0	0	0	0	118.5
688	S	28.3	Very low	31.5	Very low	107 Å²	107	124.7 Å²	124.7	75%	0.748	79%	0.792	S	S	*	*			cis	-154.5	175.7	20.6	-158.4	0	0	0	0	115.2
689	S	29	Very low	32.2	Very low	93 Å²	93	120.5 Å²	120.5	65%	0.65	78%	0.778	S	S	*	*			trans	-8.9	140.9	157.9	60.3	0	0	0	0	118.2
690	T	28.5	Very low	32.8	Very low	130 Å²	130	116.5 Å²	116.5	80%	0.798	76%	0.756	S	S	*	*			cis	-162.8	131.6	19.7	-13	0	0	0	0	110.6
691	L	30.1	Very low	33.5	Very low	179 Å²	179	116.5 Å²	116.5	94%	0.937	75%	0.745	S	S	*	*			trans	-143.4	132.1	169.1	-75.6	177.2	0	0	0	111.5
692	S	31	Very low	34	Very low	114 Å²	114	114.8 Å²	114.8	80%	0.797	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-92.2	146.7	-180	46.3	0	0	0	0	112.3
693	P	35.1	Very low	34.4	Very low	128 Å²	128	116.2 Å²	116.2	83%	0.831	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-81.5	149.5	-166.6	31.6	-36.4	0	0	0	114.2
694	T	29.9	Very low	34.7	Very low	143 Å²	143	114 Å²	114	88%	0.877	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-72.1	147.8	-180	46.1	0	0	0	0	113.6
695	S	30.9	Very low	35.1	Very low	122 Å²	122	112.9 Å²	112.9	85%	0.853	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-65.9	135.9	-168.7	-174.2	0	0	0	0	114
696	S	34.7	Very low	35.5	Very low	85 Å²	85	115.7 Å²	115.7	59%	0.594	68%	0.679	S	S	*	*			trans	-108.7	121.8	168.9	59.3	0	0	0	0	110.4	K698	S696-K698 PolarHBondContact O-N 3.21Å
697	S	38.7	Very low	36.2	Very low	128 Å²	128	116.3 Å²	116.3	90%	0.895	67%	0.672	S	S	*	*			trans	-63.1	108.6	-177.9	-46.8	0	0	0	0	111.5
698	K	41.7	Very low	36.6	Very low	163 Å²	163	119.4 Å²	119.4	71%	0.709	68%	0.676	S	S	*	*			trans	-101.2	130.4	171.1	-65.1	173.7	-175.1	173.1	0	108.9	S696	S696-K698 PolarHBondContact O-N 3.21Å
699	I	44	Very low	37.6	Very low	115 Å²	115	123.4 Å²	123.4	59%	0.59	68%	0.68	S	S	*	*			trans	-100.5	134.5	169.1	-60	173.4	0	0	0	107.1
700	S	43	Very low	38.2	Very low	49 Å²	49	125.9 Å²	125.9	34%	0.343	69%	0.686	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.7	145.4	176.7	66.7	0	0	0	0	111.2	N720	S700-N720 PolarHBondContact O-N 3.03Å
701	I	46.4	Very low	39	Very low	76 Å²	76	129 Å²	129	39%	0.39	69%	0.688	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.8	127	179.7	-48.4	-173.8	0	0	0	106.6	F703 A717 L719	I701-F703 HydrophobicContact CG2-CE2 4.21Å; I701-F703 HydrophobicContact CG2-CZ 4.06Å; I701-A717 HydrophobicContact CG2-CB 4.48Å; I701-L719 HydrophobicContact CB-CD2 4.48Å; I701-L719 HydrophobicContact CD1-CD2 3.81Å; I701-L719 HydrophobicContact CG1-CD2 3.73Å; I701-L719 HydrophobicContact CG2-CD2 4.23Å
702	K	39.4	Very low	39.6	Very low	132 Å²	132	125.2 Å²	125.2	57%	0.574	68%	0.683	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.8	131	175.4	-165.3	174.6	-177.1	-179.1	0	109.5	I663 K718	I663-K702 HydrophobicContact CG2-CG 4.46Å; K702-K718 PolarHBondContact N-O 3.22Å; K702-K718 VanDerWaalsContact N-O 3.11Å; K702-K718 PolarHBondContact O-N 2.97Å
703	F	37.7	Very low	40.2	Very low	111 Å²	111	123.3 Å²	123.3	49%	0.487	68%	0.681	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	141.6	173.9	-59.3	-84.3	0	0	0	109.5	I701 A717	I701-F703 HydrophobicContact CG2-CE2 4.21Å; I701-F703 HydrophobicContact CG2-CZ 4.06Å; F703-A717 HydrophobicContact CD1-CB 3.89Å; F703-A717 HydrophobicContact CE1-CB 3.72Å
704	S	39.8	Very low	40.3	Very low	48 Å²	48	120.9 Å²	120.9	34%	0.336	67%	0.668	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.8	135.3	173.5	52.4	0	0	0	0	110.4	I716	S704-I716 PolarHBondContact N-O 2.82Å; S704-I716 VanDerWaalsContact N-O 3.13Å; S704-I716 PolarHBondContact O-N 2.94Å
705	K	39.1	Very low	40.8	Very low	137 Å²	137	120.1 Å²	120.1	60%	0.596	65%	0.649	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.2	118.1	171.5	-171	-170.9	-176.5	-160.8	0	108.4	H707 Y715	K705-H707 PolarHBondContact NZ-NE2 3.18Å; K705-Y715 HydrophobicContact CB-CD1 4.43Å; K705-Y715 HydrophobicContact CB-CE1 4.03Å; K705-Y715 HydrophobicContact CG-CE1 4.21Å
706	E	37.6	Very low	41.4	Very low	138 Å²	138	116 Å²	116	65%	0.645	62%	0.617	S	S	*	*			trans	-91.7	147.4	170.6	-155.4	150.1	-120.5	0	0	107.9	I716	E706-I716 VanDerWaalsContact OE2-CD1 3.26Å; E706-I716 WeakPolarHBondContact OE2-CD1 3.11Å
707	H	44.8	Very low	41.8	Very low	155 Å²	155	113.6 Å²	113.6	72%	0.718	60%	0.603	S	S	*	*			trans	-127.2	87.2	-170.2	-134.2	-71.7	0	0	0	110.6	K705	K705-H707 PolarHBondContact NZ-NE2 3.18Å
708	D	38	Very low	41.9	Very low	154 Å²	154	113.9 Å²	113.9	82%	0.824	59%	0.588	S	S	*	*			trans	-125.1	148.4	177.5	-147.3	-25.1	0	0	0	110.7	D710	D708-D710 PolarHBondContact O-N 3.29Å
709	K	49.8	Very low	41.9	Very low	191 Å²	191	111.4 Å²	111.4	83%	0.83	58%	0.582	S	S	*	*	S	Bend	trans	-97	76.4	-171.6	-73.4	-174.1	178.3	179.6	0	111.4
710	D	42.8	Very low	41.8	Very low	146 Å²	146	111 Å²	111	78%	0.781	58%	0.581	S	S	*	*	S	Bend		178.8	147.4	120.9	-96.2	-16.6	0	0	0	114.2	D708	D708-D710 PolarHBondContact O-N 3.29Å
711	K	44.8	Very low	41.8	Very low	195 Å²	195	114.4 Å²	114.4	85%	0.848	60%	0.595	S	S	*	*	S	Bend	trans	60.4	101.9	168.5	-65.7	171.7	-176.3	168.6	0	117.4
712	A	41.9	Very low	41.3	Very low	99 Å²	99	114 Å²	114	82%	0.818	61%	0.61	S	S	*	*			trans	65.4	101.8	164.1	0	0	0	0	0	116.6	S714	A712-S714 PolarHBondContact O-N 3.07Å; A712-S714 VanDerWaalsContact O-N 3.11Å
713	G	44.3	Very low	40.9	Very low	75 Å²	75	117.6 Å²	117.6	77%	0.773	63%	0.626	S	S	*	*			trans	-64.8	107	-178.1	0	0	0	0	0	114.2
714	S	37.7	Very low	40.7	Very low	77 Å²	77	116.8 Å²	116.8	54%	0.538	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-89.4	125.7	173.9	61.2	0	0	0	0	112.2	A712	A712-S714 PolarHBondContact O-N 3.07Å; A712-S714 VanDerWaalsContact O-N 3.11Å
715	Y	40.5	Very low	40.9	Very low	126 Å²	126	120 Å²	120	49%	0.494	66%	0.66	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.8	129.6	169.6	-74.2	-89.9	0	0	0	110.7	K705 L738	K705-Y715 HydrophobicContact CB-CD1 4.43Å; K705-Y715 HydrophobicContact CB-CE1 4.03Å; K705-Y715 HydrophobicContact CG-CE1 4.21Å; Y715-L738 HydrophobicContact CD2-CD1 4.29Å
716	I	42.9	Very low	40.5	Very low	35 Å²	35	119.8 Å²	119.8	18%	0.179	67%	0.67	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.3	119.2	176.6	-57.8	179.6	0	0	0	109	S704 E706 K718	S704-I716 PolarHBondContact N-O 2.82Å; S704-I716 VanDerWaalsContact N-O 3.13Å; S704-I716 PolarHBondContact O-N 2.94Å; E706-I716 VanDerWaalsContact OE2-CD1 3.26Å; E706-I716 WeakPolarHBondContact OE2-CD1 3.11Å; I716-K718 HydrophobicContact CG2-CG 4.24Å
717	A	42.1	Very low	40.2	Very low	35 Å²	35	119.3 Å²	119.3	29%	0.289	68%	0.676	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.3	122.9	171	0	0	0	0	0	109.9	I701 F703	I701-A717 HydrophobicContact CG2-CB 4.48Å; F703-A717 HydrophobicContact CD1-CB 3.89Å; F703-A717 HydrophobicContact CE1-CB 3.72Å
718	K	41.9	Very low	39.6	Very low	134 Å²	134	121.3 Å²	121.3	58%	0.583	69%	0.685	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.7	120.1	173.2	-67.7	178.5	-178.4	172.2	0	109.5	K702 I716	K702-K718 PolarHBondContact N-O 3.22Å; K702-K718 VanDerWaalsContact N-O 3.11Å; K702-K718 PolarHBondContact O-N 2.97Å; I716-K718 HydrophobicContact CG2-CG 4.24Å
719	L	40.7	Very low	39.2	Very low	111 Å²	111	117.1 Å²	117.1	58%	0.581	68%	0.679	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.6	133.1	168.3	-61.2	179	0	0	0	108.6	I701	I701-L719 HydrophobicContact CB-CD2 4.48Å; I701-L719 HydrophobicContact CD1-CD2 3.81Å; I701-L719 HydrophobicContact CG1-CD2 3.73Å; I701-L719 HydrophobicContact CG2-CD2 4.23Å
720	N	43.5	Very low	38.2	Very low	106 Å²	106	116.2 Å²	116.2	57%	0.567	68%	0.683	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.9	104.3	173.3	-164.9	6.6	0	0	0	110.5	S700	S700-N720 PolarHBondContact O-N 3.03Å
721	N	42.8	Very low	37.8	Very low	121 Å²	121	113.9 Å²	113.9	65%	0.647	68%	0.684	S	S	*	*			trans	-86.3	120.1	166.9	-72.2	-5.8	0	0	0	107.5	F723	N721-F723 VanDerWaalsContact C-N 3.29Å; N721-F723 PolarHBondContact O-N 2.84Å
722	G	35.8	Very low	37.3	Very low	68 Å²	68	111.1 Å²	111.1	70%	0.701	68%	0.683	S	S	*	*	S	Bend	trans	-74.1	67	-168.9	0	0	0	0	0	115.8
723	F	30.8	Very low	36.9	Very low	207 Å²	207	115 Å²	115	91%	0.908	68%	0.682	S	S	*	*			trans	-151.6	109.9	170.4	-104.6	-84.6	0	0	0	110.5	N721	N721-F723 VanDerWaalsContact C-N 3.29Å; N721-F723 PolarHBondContact O-N 2.84Å
724	A	33.1	Very low	36.4	Very low	94 Å²	94	117.8 Å²	117.8	78%	0.777	68%	0.678	S	S	*	*			trans	-173.9	168.8	174.2	0	0	0	0	0	108.9
725	P	44.1	Very low	36	Very low	117 Å²	117	123.3 Å²	123.3	76%	0.76	69%	0.693	S	S	*	*			cis	-99.3	-176.3	-11.6	41.2	-33.9	0	0	0	110.9
726	V	30.3	Very low	35.7	Very low	132 Å²	132	122.4 Å²	122.4	80%	0.8	70%	0.695	S	S	*	*			cis	-117.4	-155.6	-4.5	-135.6	0	0	0	0	107.6
727	V	31.6	Very low	35	Very low	128 Å²	128	128.7 Å²	128.7	78%	0.776	72%	0.724	S	S	*	*			cis	-124	-166.2	8.2	-164.1	0	0	0	0	108.2	G729	V727-G729 PolarHBondContact O-N 3.17Å
728	H	32.4	Very low	34.4	Very low	196 Å²	196	133 Å²	133	91%	0.907	74%	0.741	S	S	*	*			trans	-63	114.9	179.9	-68.7	-70.8	0	0	0	113.7
729	G	28.5	Very low	33.7	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	76%	0.755	S	S	*	*			trans	-156.1	134.8	164	0	0	0	0	0	108.6	V727	V727-G729 PolarHBondContact O-N 3.17Å
730	N	29.9	Very low	33.2	Very low	171 Å²	171	139.9 Å²	139.9	91%	0.914	76%	0.76	S	S	*	*			trans	-75.6	137.6	-164.4	-72.9	-27.6	0	0	0	113.8
731	A	34	Very low	32.5	Very low	97 Å²	97	143.5 Å²	143.5	80%	0.802	77%	0.773	S	S	*	*			trans	-76.9	140.7	-179.6	0	0	0	0	0	113.1	K733	A731-K733 PolarHBondContact O-N 2.75Å
732	T	34.6	Very low	32	Very low	138 Å²	138	143 Å²	143	85%	0.847	77%	0.771	S	S	*	*			trans	-73.6	91.3	-179.8	41.8	0	0	0	0	112.4	L734	T732-L734 PolarHBondContact O-N 2.73Å
733	K	34.1	Very low	31.8	Very low	181 Å²	181	148 Å²	148	79%	0.787	78%	0.782	S	S	*	*			trans	-78.3	86.3	-178.1	-165	174.4	-175.1	177.6	0	112.2	A731 K735	A731-K733 PolarHBondContact O-N 2.75Å; K733-K735 PolarHBondContact O-N 3.3Å
734	L	32.2	Very low	31.9	Very low	133 Å²	133	142.4 Å²	142.4	70%	0.696	77%	0.773	S	S	*	*			trans	-64.4	119.3	169.8	-75.6	168.7	0	0	0	110.8	T732	T732-L734 PolarHBondContact O-N 2.73Å
735	K	30.3	Very low	31.7	Very low	193 Å²	193	150 Å²	150	84%	0.839	78%	0.782	S	S	*	*			trans	-99.9	102.5	175.7	-171.9	178.1	-177.9	-179.3	0	109.7	K733	K733-K735 PolarHBondContact O-N 3.3Å
736	I	34.5	Very low	31	Very low	107 Å²	107	156.3 Å²	156.3	55%	0.549	79%	0.791	S	S	.	*			trans	-91.5	124	175.5	-57.6	174.4	0	0	0	108.2
737	Q	28.3	Very low	30.9	Very low	167 Å²	167	157.7 Å²	157.7	78%	0.78	79%	0.793	S	S	*	*			trans	-106.2	106.6	178.7	-172.5	168.1	3.4	0	0	110.1
738	L	29.3	Very low	30.7	Very low	124 Å²	124	160 Å²	160	65%	0.649	80%	0.795	S	S	*	*			trans	-77.2	123.6	173.3	-63.1	170.3	0	0	0	109.1	Y715	Y715-L738 HydrophobicContact CD2-CD1 4.29Å
739	R	27.8	Very low	30.5	Very low	232 Å²	232	155.2 Å²	155.2	88%	0.875	79%	0.79	S	S	*	*			trans	-90.2	140.3	158	-84.5	-167.5	172.2	-154.8	-0.5	108.8
740	K	29.6	Very low	30.5	Very low	158 Å²	158	160 Å²	160	69%	0.687	80%	0.799	S	S	*	*			trans	-107.8	122.2	165.3	-179.2	171.5	179.4	-105.9	0	106.2	D742	K740-D742 WeakPolarHBondContact CE-OD1 3.17Å; K740-D742 IonicContact NZ-OD1 3.15Å; K740-D742 PolarHBondContact NZ-OD1 3.37Å; K740-D742 IonicContact NZ-OD2 2.74Å; K740-D742 PolarHBondContact NZ-OD2 3.47Å
741	E	29.4	Very low	30.3	Very low	182 Å²	182	155.2 Å²	155.2	85%	0.85	79%	0.791	S	S	*	*			trans	-88.4	133.6	163.4	-74.3	176.1	135.7	0	0	107.4
742	D	31.1	Very low	30	Very low	111 Å²	111	158.6 Å²	158.6	59%	0.594	80%	0.795	S	S	*	*			trans	-120.5	96.1	-178.9	-90.7	-56.2	0	0	0	108.3	K740 A744	K740-D742 WeakPolarHBondContact CE-OD1 3.17Å; K740-D742 IonicContact NZ-OD1 3.15Å; K740-D742 PolarHBondContact NZ-OD1 3.37Å; K740-D742 IonicContact NZ-OD2 2.74Å; K740-D742 PolarHBondContact NZ-OD2 3.47Å; D742-A744 PolarHBondContact O-N 3.17Å; D742-A744 VanDerWaalsContact O-N 3.16Å
743	D	32.3	Very low	29.6	Very low	173 Å²	173	156.6 Å²	156.6	93%	0.925	79%	0.793	S	S	*	*			trans	-73.1	101.7	175.9	-91.3	-40.5	0	0	0	110.7
744	A	32	Very low	29.4	Very low	89 Å²	89	153.1 Å²	153.1	74%	0.736	80%	0.798	S	S	*	*			trans	-144.5	67.2	-177.8	0	0	0	0	0	113.1	D742	D742-A744 PolarHBondContact O-N 3.17Å; D742-A744 VanDerWaalsContact O-N 3.16Å
745	R	30.2	Very low	29	Very low	255 Å²	255	150.5 Å²	150.5	96%	0.962	80%	0.802	S	S	*	*			trans	-139.4	113.1	161.3	-67.5	-168.5	-177.6	-167.1	1.2	111.3
746	R	28.1	Very low	28.7	Very low	249 Å²	249	145.3 Å²	145.3	94%	0.94	80%	0.804	S	S	*	*			trans	-134.9	89.5	174.2	-173.1	-174.4	-175	-117.4	1.1	111.4
747	L	29.4	Very low	28.2	Very low	160 Å²	160	143.2 Å²	143.2	84%	0.838	81%	0.809	S	S	*	*			trans	-155	144.5	163.1	-75.9	-178.1	0	0	0	106.5
748	Q	27.1	Very low	28.3	Very low	176 Å²	176	143.9 Å²	143.9	82%	0.822	81%	0.811	S	S	*	*			cis	-169.5	127.6	-13.3	-179.5	177.3	17.8	0	0	107.4
749	A	28.4	Very low	28.3	Very low	97 Å²	97	146.4 Å²	146.4	80%	0.802	81%	0.812	S	S	*	*			trans	-165.8	141.8	167.3	0	0	0	0	0	110.8
750	N	27.3	Very low	28.4	Very low	167 Å²	167	141.9 Å²	141.9	89%	0.893	81%	0.81	S	S	*	*			trans	-94.2	161	164.6	-65.2	-12.7	0	0	0	109.3
751	G	27.1	Very low	28.5	Very low	71 Å²	71	140.1 Å²	140.1	73%	0.732	81%	0.805	S	S	*	*			trans	-175.7	127.9	173	0	0	0	0	0	110
752	D	26.8	Very low	28.5	Very low	168 Å²	168	139.4 Å²	139.4	90%	0.898	80%	0.799	S	S	*	*			trans	-90.9	-178.4	-160.6	-72.2	-76.6	0	0	0	115.7
753	A	27.2	Very low	28.4	Very low	96 Å²	96	139 Å²	139	79%	0.793	80%	0.8	S	S	*	*			trans	-78.7	-177.7	-164.3	0	0	0	0	0	116.1
754	A	28.2	Very low	28.2	Very low	108 Å²	108	138.5 Å²	138.5	89%	0.893	80%	0.797	S	S	*	*			trans	73.2	153.8	174.3	0	0	0	0	0	116.6
755	G	24.2	Very low	28	Very low	77 Å²	77	139.2 Å²	139.2	79%	0.794	80%	0.802	S	S	*	*			cis	158.4	108	-12.3	0	0	0	0	0	114.9
756	G	24.3	Very low	27.8	Very low	85 Å²	85	134.6 Å²	134.6	88%	0.876	80%	0.797	S	S	*	*			trans	85.2	164.1	160	0	0	0	0	0	118.2
757	G	25.3	Very low	28.9	Very low	62 Å²	62	128 Å²	128	64%	0.639	79%	0.786	S	S	*	*			trans	108	83.4	143	0	0	0	0	0	120.3
758	H	29.9	Very low	28.8	Very low	182 Å²	182	125.5 Å²	125.5	84%	0.843	78%	0.782	S	S	*	*			trans	61.5	167.9	140.2	-62.3	-65.9	0	0	0	120.9
759	R	28.7	Very low	28.8	Very low	177 Å²	177	121.2 Å²	121.2	67%	0.668	77%	0.772	S	S	*	*			cis	161.4	109.3	-40	170.5	-158.7	162.8	-176.9	-5	108.4
760	T	29.3	Very low	28.8	Very low	136 Å²	136	123.4 Å²	123.4	83%	0.834	77%	0.77	S	S	*	*			trans	-155.2	127.4	153.3	25.9	0	0	0	0	105.6
761	Q	31.6	Very low	29.1	Very low	122 Å²	122	123.6 Å²	123.6	57%	0.57	77%	0.765	S	S	*	*			cis	62.6	131.3	44.6	-65.5	-150.9	2.7	0	0	113.2
762	K	30.7	Very low	29.4	Very low	166 Å²	166	126.7 Å²	126.7	72%	0.722	77%	0.765	S	S	*	*			cis	-165.1	160.1	5.7	-134.7	-166.8	173	-171.5	0	111.9
763	V	27.8	Very low	29.8	Very low	103 Å²	103	126.7 Å²	126.7	62%	0.624	76%	0.76	S	S	*	*			trans	55.5	108.7	141.5	156.9	0	0	0	0	118.1
764	L	29.7	Very low	30.2	Very low	162 Å²	162	130 Å²	130	85%	0.848	76%	0.759	S	S	*	*				79.1	118	76	-77	180	0	0	0	115
765	A	26.6	Very low	30.5	Very low	104 Å²	104	132 Å²	132	86%	0.86	76%	0.755	S	S	*	*			trans	-158.1	137.5	153.2	0	0	0	0	0	109.8
766	D	26	Very low	31.1	Very low	158 Å²	158	136 Å²	136	85%	0.845	76%	0.758	S	S	*	*			trans	-173.7	159.9	-175.9	-147.4	12.1	0	0	0	106.4
767	P	51.5	Low	31.6	Very low	111 Å²	111	138.8 Å²	138.8	72%	0.721	75%	0.753	S	S	*	*			cis	-130.7	-139.8	-9.8	42.9	-23.8	0	0	0	111.6
768	S	26.6	Very low	32.5	Very low	107 Å²	107	145.6 Å²	145.6	75%	0.748	76%	0.761	S	S	*	*			trans	90.9	132.9	168.6	-151.4	0	0	0	0	115.8
769	S	28	Very low	32.6	Very low	86 Å²	86	145.9 Å²	145.9	60%	0.601	76%	0.76	S	S	*	*			cis	-162.9	162.6	-5.6	35.4	0	0	0	0	111.4
770	D	29.1	Very low	33.3	Very low	143 Å²	143	144.3 Å²	144.3	77%	0.765	76%	0.76	S	S	*	*			trans	51.5	112.6	156	-45.8	-19.7	0	0	0	118.7
771	E	32	Very low	33.6	Very low	171 Å²	171	143.8 Å²	143.8	80%	0.799	75%	0.752	S	S	*	*				95	138.5	59	-64.9	-106.8	112.7	0	0	112.6
772	D	33.7	Very low	34	Very low	137 Å²	137	143.7 Å²	143.7	73%	0.733	76%	0.755	S	S	*	*			trans	65.2	145	168.2	-53.4	-22.3	0	0	0	120.2
773	E	36.3	Very low	34.1	Very low	167 Å²	167	145.2 Å²	145.2	78%	0.78	76%	0.762	S	S	*	*			cis	-155.1	171.2	-10.7	-122.5	-178.7	174.2	0	0	112.3
774	E	34.7	Very low	34.6	Very low	165 Å²	165	148.8 Å²	148.8	77%	0.771	77%	0.772	S	S	*	*			trans	-9.2	135.4	179.3	-60.5	-173.3	148.3	0	0	125
775	D	34.9	Very low	35.1	Very low	151 Å²	151	148.7 Å²	148.7	81%	0.807	77%	0.772	S	S	*	*			trans	35.1	125.3	132	-64.8	-4.3	0	0	0	123.6
776	D	35.8	Very low	35.6	Very low	162 Å²	162	150.7 Å²	150.7	87%	0.866	77%	0.769	S	S	*	*				-173.1	108.6	114.2	-119.1	-19.5	0	0	0	110.7
777	D	34.7	Very low	36.2	Very low	142 Å²	142	151.9 Å²	151.9	76%	0.759	77%	0.766	S	S	*	*			trans	-172.6	147.9	141.7	-123	-30.5	0	0	0	117
778	Y	44.9	Very low	36	Very low	206 Å²	206	153.1 Å²	153.1	81%	0.808	77%	0.766	S	S	*	*			trans	29.8	109.9	150.4	-115.3	-97.8	0	0	0	122.2
779	F	31.6	Very low	36.6	Very low	187 Å²	187	153.3 Å²	153.3	82%	0.82	76%	0.764	S	S	*	*			trans	-128.4	110.6	157.1	-93.5	-81.6	0	0	0	115.5	N781	F779-N781 PolarHBondContact O-ND2 2.88Å
780	H	44.4	Very low	37.4	Very low	145 Å²	145	153.3 Å²	153.3	67%	0.671	76%	0.757	S	S	*	*			trans	-54.4	137.1	157.4	-142.6	-103.4	0	0	0	109.1	D782	H780-D782 IonicContact CE1-OD2 2.72Å; H780-D782 IonicContact CG-OD2 3.63Å; H780-D782 IonicContact ND1-OD2 2.73Å; H780-D782 PolarHBondContact ND1-OD2 2.72Å
781	N	34.3	Very low	38	Very low	125 Å²	125	151.2 Å²	151.2	67%	0.668	75%	0.751	S	S	*	*			trans	-120.4	80.2	175.9	-90.6	-100.7	0	0	0	110.1	F779 F783	F779-N781 PolarHBondContact O-ND2 2.88Å; N781-F783 PolarHBondContact O-N 3.04Å
782	D	39.8	Very low	38.6	Very low	120 Å²	120	148.6 Å²	148.6	64%	0.642	75%	0.749	S	S	*	*			trans	-67.4	117.8	158.5	-70.2	-84.6	0	0	0	108.4	H780 E784	H780-D782 IonicContact CE1-OD2 2.72Å; H780-D782 IonicContact CG-OD2 3.63Å; H780-D782 IonicContact ND1-OD2 2.73Å; H780-D782 PolarHBondContact ND1-OD2 2.72Å; D782-E784 PolarHBondContact O-N 2.88Å; D782-E784 VanDerWaalsContact O-N 3.09Å
783	F	34.3	Very low	39.4	Very low	198 Å²	198	144 Å²	144	87%	0.868	73%	0.73	S	S	*	*			trans	-79.5	90.8	176.2	-96.7	-91.7	0	0	0	110	N781	N781-F783 PolarHBondContact O-N 3.04Å
784	E	36.7	Very low	40.2	Very low	177 Å²	177	143.7 Å²	143.7	83%	0.827	73%	0.726	S	S	*	*			trans	-61.8	154.5	164.6	-65.6	-167.9	108.5	0	0	111.4	D782 D786	D782-E784 PolarHBondContact O-N 2.88Å; D782-E784 VanDerWaalsContact O-N 3.09Å; E784-D786 PolarHBondContact O-N 3.27Å; E784-D786 VanDerWaalsContact O-N 3.14Å
785	D	41.9	Very low	40.9	Very low	161 Å²	161	142.6 Å²	142.6	86%	0.861	72%	0.715	S	S	*	*			trans	-69.8	108.2	177.4	-107.6	-44.7	0	0	0	110.2	F787	D785-F787 VanDerWaalsContact C-N 3.26Å; D785-F787 PolarHBondContact O-N 2.95Å
786	D	36.9	Very low	41.7	Very low	146 Å²	146	140.5 Å²	140.5	78%	0.781	70%	0.703	S	S	*	*			trans	-69.1	77	-177.5	-160.2	6.7	0	0	0	111.2	E784 I788	E784-D786 PolarHBondContact O-N 3.27Å; E784-D786 VanDerWaalsContact O-N 3.14Å; D786-I788 VanDerWaalsContact C-N 3.3Å; D786-I788 PolarHBondContact O-N 2.75Å
787	F	37.3	Very low	42.6	Very low	182 Å²	182	140.1 Å²	140.1	80%	0.798	69%	0.689	S	S	*	*			trans	-76.2	74.5	-169.3	-160.3	-85.8	0	0	0	111.6	D785 P789	D785-F787 VanDerWaalsContact C-N 3.26Å; D785-F787 PolarHBondContact O-N 2.95Å; F787-P789 WeakPolarHBondContact O-CD 3.32Å
788	I	47.9	Very low	43.8	Very low	137 Å²	137	137.1 Å²	137.1	70%	0.703	67%	0.673	S	S	*	*			trans	-48.3	112.4	179.7	-58.6	173.1	0	0	0	110.4	D786 L790	D786-I788 VanDerWaalsContact C-N 3.3Å; D786-I788 PolarHBondContact O-N 2.75Å; I788-L790 PolarHBondContact O-N 3.08Å
789	P	40.4	Very low	44.4	Very low	111 Å²	111	132.9 Å²	132.9	72%	0.721	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-60.9	128.7	-178.5	-25.8	35.9	0	0	0	111	F787	F787-P789 WeakPolarHBondContact O-CD 3.32Å
790	L	43	Very low	45.2	Very low	87 Å²	87	127.9 Å²	127.9	46%	0.455	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-58.3	133	175.6	-72.4	176.7	0	0	0	109.3	I788	I788-L790 PolarHBondContact O-N 3.08Å
791	P	41.9	Very low	46.2	Very low	98 Å²	98	124.6 Å²	124.6	64%	0.636	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-57.8	142.6	178	24	-33.7	0	0	0	110.3	R814	P791-R814 PolarHBondContact O-NH2 3.44Å
792	P	45.4	Very low	46.8	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-58.1	145.9	-176.6	22.3	-33.1	0	0	0	111.2	K794	P792-K794 PolarHBondContact O-N 3.07Å
793	A	49.4	Very low	46.5	Very low	39 Å²	39	128.7 Å²	128.7	32%	0.322	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-60.2	134.4	179.5	0	0	0	0	0	110.1	R795	A793-R795 PolarHBondContact O-N 3.05Å; A793-R795 VanDerWaalsContact O-N 3.09Å
794	K	54.8	Low	47.3	Very low	162 Å²	162	122.2 Å²	122.2	70%	0.704	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.7	87.9	176.5	-71.5	-176.8	179.5	178.1	0	108.6	P792 I809	P792-K794 PolarHBondContact O-N 3.07Å; K794-I809 HydrophobicContact CB-CB 4.4Å; K794-I809 WeakPolarHBondContact O-CB 3.41Å; K794-I809 WeakPolarHBondContact O-CG1 3.34Å; K794-I809 PolarHBondContact O-N 2.63Å; K794-I809 VanDerWaalsContact O-N 3.08Å
795	R	47.7	Very low	48.1	Very low	142 Å²	142	118.6 Å²	118.6	54%	0.536	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.1	128.2	173	-22	-160.8	78.8	-163.8	13.2	109.6	A793 D806 I807 D808	A793-R795 PolarHBondContact O-N 3.05Å; A793-R795 VanDerWaalsContact O-N 3.09Å; R795-D806 IonicContact CZ-OD2 3.48Å; R795-D806 IonicContact NH1-OD2 3.37Å; R795-D806 PolarHBondContact NH1-OD2 2.72Å; R795-I807 CarbonylContact C-O 3.58Å; R795-I807 WeakPolarHBondContact CA-O 3.45Å; R795-D808 VanDerWaalsContact CG-OD1 3.26Å; R795-D808 WeakPolarHBondContact CG-OD1 3.31Å; R795-D808 IonicContact CZ-OD1 2.67Å; R795-D808 IonicContact CZ-OD2 2.69Å; R795-D808 IonicContact NE-OD1 3.68Å; R795-D808 PolarHBondContact NE-OD1 3.32Å; R795-D808 IonicContact NE-OD2 2.73Å; R795-D808 PolarHBondContact NE-OD2 2.72Å; R795-D808 IonicContact NH2-OD1 3.7Å; R795-D808 IonicContact NH2-OD2 2.79Å; R795-D808 PolarHBondContact NH2-OD2 2.85Å
796	L	53.5	Low	48.3	Very low	107 Å²	107	113.2 Å²	113.2	56%	0.56	60%	0.601	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.8	108.9	162.7	-78.6	-179.8	0	0	0	108.4	L798 I807 I809	L796-L798 PolarHBondContact O-N 2.77Å; L796-I807 HydrophobicContact CB-CB 4.41Å; L796-I807 PolarHBondContact N-O 3.45Å; L796-I807 PolarHBondContact O-N 3.27Å; L796-I809 HydrophobicContact CD1-CD1 3.77Å; L796-I809 HydrophobicContact CG-CD1 3.88Å
797	R	53.3	Low	49.3	Very low	153 Å²	153	110.5 Å²	110.5	58%	0.577	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.5	110	169.7	-174.5	162.8	-70.6	-165.7	-4.6	109.6	I799 D806	R797-I799 HydrophobicContact CG-CG1 4.02Å; R797-D806 VanDerWaalsContact CB-OD1 3.22Å; R797-D806 WeakPolarHBondContact CB-OD1 3.31Å; R797-D806 WeakPolarHBondContact CG-OD1 3.45Å; R797-D806 IonicContact CZ-OD1 2.6Å; R797-D806 IonicContact CZ-OD2 3.51Å; R797-D806 IonicContact NE-OD1 3.77Å; R797-D806 PolarHBondContact NE-OD1 3.17Å; R797-D806 IonicContact NE-OD2 3.88Å; R797-D806 IonicContact NH2-OD1 2.71Å; R797-D806 PolarHBondContact NH2-OD1 3.25Å; R797-D806 IonicContact NH2-OD2 2.76Å; R797-D806 PolarHBondContact NH2-OD2 3.2Å
798	L	59.5	Low	49.9	Very low	80 Å²	80	105.6 Å²	105.6	42%	0.419	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.1	115.5	169.8	-168.5	80.8	0	0	0	108.6	L796 V800 S804 I805	L796-L798 PolarHBondContact O-N 2.77Å; L798-V800 HydrophobicContact CD2-CG2 4.05Å; L798-V800 HydrophobicContact CG-CG2 4.19Å; L798-S804 CarbonylContact O-C 3.43Å; L798-S804 WeakPolarHBondContact O-CA 3.35Å; L798-I805 PolarHBondContact N-O 3.04Å; L798-I805 PolarHBondContact O-N 2.93Å
799	I	57.6	Low	50.1	Low	116 Å²	116	103.4 Å²	103.4	60%	0.595	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.4	129.6	177.3	-54.6	177.5	0	0	0	108.7	R797 D803	R797-I799 HydrophobicContact CG-CG1 4.02Å; I799-D803 WeakPolarHBondContact CA-O 3.23Å
800	V	49.9	Very low	50.6	Low	82 Å²	82	101.1 Å²	101.1	50%	0.497	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	102.7	179.7	-175.7	0	0	0	0	108.4	L798 K802 D803	L798-V800 HydrophobicContact CD2-CG2 4.05Å; L798-V800 HydrophobicContact CG-CG2 4.19Å; V800-K802 PolarHBondContact O-N 2.61Å; V800-D803 PolarHBondContact N-O 3.03Å; V800-D803 PolarHBondContact O-N 2.98Å
801	G	64.7	Low	51	Low	77 Å²	77	100.5 Å²	100.5	79%	0.794	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-121.6	-173.8	0	0	0	0	0	111.5
802	K	47.7	Very low	51.4	Low	210 Å²	210	105.5 Å²	105.5	91%	0.913	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-13.8	175.6	-68.5	-174.8	177.6	-178.9	0	113.4	V800	V800-K802 PolarHBondContact O-N 2.61Å
803	D	33.7	Very low	51.5	Low	121 Å²	121	109.3 Å²	109.3	65%	0.647	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.8	151.2	-172.2	-56.2	-40.3	0	0	0	111.7	I799 V800	I799-D803 WeakPolarHBondContact CA-O 3.23Å; V800-D803 PolarHBondContact N-O 3.03Å; V800-D803 PolarHBondContact O-N 2.98Å
804	S	51	Low	51.5	Low	61 Å²	61	112.4 Å²	112.4	43%	0.427	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134	127.1	176.4	73.7	0	0	0	0	112.4	L798	L798-S804 CarbonylContact O-C 3.43Å; L798-S804 WeakPolarHBondContact O-CA 3.35Å
805	I	52.1	Low	51.3	Low	102 Å²	102	108.5 Å²	108.5	52%	0.523	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.6	179	-57.6	174.2	0	0	0	108.5	L798 I807	L798-I805 PolarHBondContact N-O 3.04Å; L798-I805 PolarHBondContact O-N 2.93Å; I805-I807 HydrophobicContact CG2-CG1 4.16Å
806	D	47	Very low	51.3	Low	48 Å²	48	105.8 Å²	105.8	26%	0.257	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.3	173	-82.8	-8.6	0	0	0	110.6	R795 R797	R795-D806 IonicContact CZ-OD2 3.48Å; R795-D806 IonicContact NH1-OD2 3.37Å; R795-D806 PolarHBondContact NH1-OD2 2.72Å; R797-D806 VanDerWaalsContact CB-OD1 3.22Å; R797-D806 WeakPolarHBondContact CB-OD1 3.31Å; R797-D806 WeakPolarHBondContact CG-OD1 3.45Å; R797-D806 IonicContact CZ-OD1 2.6Å; R797-D806 IonicContact CZ-OD2 3.51Å; R797-D806 IonicContact NE-OD1 3.77Å; R797-D806 PolarHBondContact NE-OD1 3.17Å; R797-D806 IonicContact NE-OD2 3.88Å; R797-D806 IonicContact NH2-OD1 2.71Å; R797-D806 PolarHBondContact NH2-OD1 3.25Å; R797-D806 IonicContact NH2-OD2 2.76Å; R797-D806 PolarHBondContact NH2-OD2 3.2Å
807	I	58.2	Low	50.7	Low	89 Å²	89	105.5 Å²	105.5	46%	0.456	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	107.9	177.9	-55.2	175.2	0	0	0	108.8	R795 L796 I805 I809	R795-I807 CarbonylContact C-O 3.58Å; R795-I807 WeakPolarHBondContact CA-O 3.45Å; L796-I807 HydrophobicContact CB-CB 4.41Å; L796-I807 PolarHBondContact N-O 3.45Å; L796-I807 PolarHBondContact O-N 3.27Å; I805-I807 HydrophobicContact CG2-CG1 4.16Å; I807-I809 PolarHBondContact O-N 3.3Å
808	D	49.1	Very low	50.3	Low	79 Å²	79	101 Å²	101	42%	0.422	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.1	176.9	-80.1	-50.2	0	0	0	112	R795 S810	R795-D808 VanDerWaalsContact CG-OD1 3.26Å; R795-D808 WeakPolarHBondContact CG-OD1 3.31Å; R795-D808 IonicContact CZ-OD1 2.67Å; R795-D808 IonicContact CZ-OD2 2.69Å; R795-D808 IonicContact NE-OD1 3.68Å; R795-D808 PolarHBondContact NE-OD1 3.32Å; R795-D808 IonicContact NE-OD2 2.73Å; R795-D808 PolarHBondContact NE-OD2 2.72Å; R795-D808 IonicContact NH2-OD1 3.7Å; R795-D808 IonicContact NH2-OD2 2.79Å; R795-D808 PolarHBondContact NH2-OD2 2.85Å; D808-S810 PolarHBondContact O-N 2.97Å
809	I	53.1	Low	49.7	Very low	90 Å²	90	103.1 Å²	103.1	46%	0.462	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	104.2	169.6	-55.6	174.4	0	0	0	108.8	K794 L796 I807	K794-I809 HydrophobicContact CB-CB 4.4Å; K794-I809 WeakPolarHBondContact O-CB 3.41Å; K794-I809 WeakPolarHBondContact O-CG1 3.34Å; K794-I809 PolarHBondContact O-N 2.63Å; K794-I809 VanDerWaalsContact O-N 3.08Å; L796-I809 HydrophobicContact CD1-CD1 3.77Å; L796-I809 HydrophobicContact CG-CD1 3.88Å; I807-I809 PolarHBondContact O-N 3.3Å
810	S	49.7	Very low	49.3	Very low	63 Å²	63	106.8 Å²	106.8	44%	0.441	54%	0.54	S	S	.	.			trans	-63.4	150.7	166.6	51	0	0	0	0	111.5	D808 E815	D808-S810 PolarHBondContact O-N 2.97Å; S810-E815 WeakPolarHBondContact CB-OE1 3.43Å; S810-E815 PolarHBondContact OG-OE1 3.42Å
811	S	52.2	Low	48.8	Very low	74 Å²	74	109.8 Å²	109.8	52%	0.517	55%	0.553	S	S	.	*			trans	-98.4	137.2	162.5	179.7	0	0	0	0	107.9	R813 R814	S811-R813 PolarHBondContact O-N 2.99Å; S811-R814 WeakPolarHBondContact O-CB 3.2Å; S811-R814 PolarHBondContact O-N 2.91Å
812	R	49	Very low	47.6	Very low	203 Å²	203	113 Å²	113	77%	0.766	55%	0.552	S	S	*	*	H	α-helix	trans	-43.3	-37.4	174.5	-83.9	-176	168.4	-179	-5.8	113.3	R814 E815 D816	R812-R814 PolarHBondContact O-N 2.84Å; R812-R814 VanDerWaalsContact O-N 3.1Å; R812-E815 WeakPolarHBondContact O-CB 3.48Å; R812-E815 PolarHBondContact O-N 3.18Å; R812-D816 PolarHBondContact O-N 3.39Å
813	R	48.6	Very low	47	Very low	197 Å²	197	110.1 Å²	110.1	74%	0.743	57%	0.567	S	S	*	*	H	α-helix	trans	-57.5	-24.8	178.3	-132.1	-177.1	-168.1	-161.8	1.7	114.6	S811	S811-R813 PolarHBondContact O-N 2.99Å
814	R	49.2	Very low	47.7	Very low	105 Å²	105	109.6 Å²	109.6	40%	0.396	56%	0.563	S	S	.	*	H	α-helix	trans	-88.5	-33.5	176.5	-167.9	-179.7	-70.6	-174.6	-1.3	111.7	P791 S811 R812 Q817 S818	P791-R814 PolarHBondContact O-NH2 3.44Å; S811-R814 WeakPolarHBondContact O-CB 3.2Å; S811-R814 PolarHBondContact O-N 2.91Å; R812-R814 PolarHBondContact O-N 2.84Å; R812-R814 VanDerWaalsContact O-N 3.1Å; R814-Q817 PolarHBondContact O-N 3.26Å; R814-S818 PolarHBondContact O-N 2.76Å
815	E	51.5	Low	47.5	Very low	80 Å²	80	112.1 Å²	112.1	37%	0.374	57%	0.57	S	S	.	*	H	α-helix	trans	-63.4	-48.6	172.2	-72.3	151.7	-169.1	0	0	110.2	S810 R812 Q817 S818 L819	S810-E815 WeakPolarHBondContact CB-OE1 3.43Å; S810-E815 PolarHBondContact OG-OE1 3.42Å; R812-E815 WeakPolarHBondContact O-CB 3.48Å; R812-E815 PolarHBondContact O-N 3.18Å; E815-Q817 PolarHBondContact O-N 3.41Å; E815-Q817 VanDerWaalsContact O-N 3.08Å; E815-S818 WeakPolarHBondContact CA-OG 3.42Å; E815-S818 PolarHBondContact O-N 3.22Å; E815-S818 PolarHBondContact O-OG 3.02Å; E815-L819 PolarHBondContact O-N 3.46Å
816	D	46.8	Very low	47.3	Very low	85 Å²	85	112.7 Å²	112.7	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-59.7	-18.1	175.5	-66.1	-26.7	0	0	0	114.9	R812 R820	R812-D816 PolarHBondContact O-N 3.39Å; D816-R820 WeakPolarHBondContact O-CG 3.27Å; D816-R820 PolarHBondContact O-NH1 3.17Å
817	Q	41.2	Very low	47.3	Very low	101 Å²	101	116.5 Å²	116.5	47%	0.472	59%	0.591	S	S	.	*	H	α-helix	trans	-92.2	-41.2	171.7	-79.4	-175.9	-48	0	0	111.7	R814 E815 L819 R820 L821	R814-Q817 PolarHBondContact O-N 3.26Å; E815-Q817 PolarHBondContact O-N 3.41Å; E815-Q817 VanDerWaalsContact O-N 3.08Å; Q817-L819 VanDerWaalsContact C-N 3.29Å; Q817-L819 PolarHBondContact O-N 3.13Å; Q817-R820 PolarHBondContact O-N 3.03Å; Q817-L821 PolarHBondContact O-N 2.81Å
818	S	44.4	Very low	46.6	Very low	58 Å²	58	118.2 Å²	118.2	41%	0.406	60%	0.6	S	S	.	*	H	α-helix	trans	-60.6	-36.3	176.2	67.8	0	0	0	0	113.2	R814 E815 R820 L821 N822	R814-S818 PolarHBondContact O-N 2.76Å; E815-S818 WeakPolarHBondContact CA-OG 3.42Å; E815-S818 PolarHBondContact O-N 3.22Å; E815-S818 PolarHBondContact O-OG 3.02Å; S818-R820 VanDerWaalsContact C-N 3.32Å; S818-L821 PolarHBondContact O-N 3.34Å; S818-N822 PolarHBondContact O-ND2 2.75Å
819	L	47.3	Very low	46.5	Very low	125 Å²	125	120.8 Å²	120.8	65%	0.654	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-24.3	174.5	-69.4	168.6	0	0	0	113.2	E815 Q817	E815-L819 PolarHBondContact O-N 3.46Å; Q817-L819 VanDerWaalsContact C-N 3.29Å; Q817-L819 PolarHBondContact O-N 3.13Å
820	R	48.1	Very low	46	Very low	193 Å²	193	123 Å²	123	73%	0.728	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-9.7	174.3	-79.2	-173.7	171.6	101.3	-4.1	114.3	D816 Q817 S818	D816-R820 WeakPolarHBondContact O-CG 3.27Å; D816-R820 PolarHBondContact O-NH1 3.17Å; Q817-R820 PolarHBondContact O-N 3.03Å; S818-R820 VanDerWaalsContact C-N 3.32Å
821	L	39.9	Very low	45.7	Very low	144 Å²	144	127.6 Å²	127.6	75%	0.754	64%	0.636	S	S	*	*	S	Bend	trans	-101.8	0.5	178.6	-71.2	168.9	0	0	0	113	Q817 S818	Q817-L821 PolarHBondContact O-N 2.81Å; S818-L821 PolarHBondContact O-N 3.34Å
822	N	40.6	Very low	45.2	Very low	145 Å²	145	132.1 Å²	132.1	78%	0.775	65%	0.646	S	S	*	*			trans	-131	31.6	179.8	-65.4	-84.8	0	0	0	111.7	S818	S818-N822 PolarHBondContact O-ND2 2.75Å
823	A	35.3	Very low	44.8	Very low	149 Å²	149	125.6 Å²	125.6	100%	1.231	64%	0.635	S	S	*	*			trans	-140	0	-178.4	0	0	0	0	0	110.6

Retrieved 823 of 823 residues in 572 ms (Link to these results)

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