A0A077Z799_TRITR Loading...

ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z799, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,158 aa.

						>A0A077Z799_TRITR|A0A077Z799
MKSLKEKSFYQLDEESEANGPSKRRVTVRQQLKVLLRKNLLVALREKDAKRRRSLMAGKVNLDIVFPLYVSAKFAHLLCDEELFDKYLVLPNGIDDKEKSRLHGLACRHSRSTLKQVDLSSLTPQISEALSALTGLNTSIRANLDWVLAWSDFLEVAYHFNLFRHVMDAWEILNQDLPVPAMLATFLCGTSPRLSEIAEKHSWQNLASKWWKFYGHVIGKDIVLTPLSPVTKKIGDKFLGHAVLVTADNFQLLRNRSHADIVEVIFGNRRIEGMFRELFLSGYLREAVARHPEVKYMTKAVRRLTYGNVLAVISFTGVDSNSTSLPNATKYAYYRVQAEVDILHAIIQDMVNSAIIAVRTGLKTNVALYAQKFPRRCGNQTIVNTPSMAGLTVPVLYLFLRLLGGFVSASFFDYHVMIQALLSMFPQFGITIVINALVRNEERKNPFGLTSLFDPLYDYGSFSYSLLILMMLLGAIIHLFFAWYLLEIRSKFFENAGGDYLKQETLHFPVDLSVEHVSMCYGIGKKGKMALKDVSAEFYAGEVTALIGANSSGKTTLLSIMCGLFPPTKGDVVLLGESISSNFGHICSFLGYCPRNNVLLNNLSEYTGLSVCATDDKDRSDFAFVLQKFYAILTVAENLNFFGSLKGIPSVELRRDINEVLKIADLCEMRHVLVENSSDIVKRKLAIAIALLGNTKVIVIDEPTFGVDRVLRHAVWSMIFSIKKKRTVIFSTQYLDEAEILADRIAIISGGELKCSGSTGFLMANNKGGCFLTFVKKPQRTSFPEVSCVKKLISYLQSYVPDVEIVQNSHKEIEFKLPITDAVTLLNLVSEIDKSLESFGCTSYGFSEGGLEDVYRNETMPTGSAEKYVSFSSTAGIIEEHQPEEELNAILRAQLAKSSEALDSFFSKLEDAVLHILLAALCFHASNKIKSPYRQLRIVDLVQLHEPSVVFIRCGTPFESNDFIIQEVAKMKYFNCKCVKHKVYCQPRAFADAIPTYKTRSGQVLVDLTGYSVIDWLTMTENSYSVRRHCSGRTILEICGIALAASVLSASFALFVTEEHRHNSRQLQYTGGMAIWIYWLVMLIFDLVSTYDLFFRTSFVQNVFLSSSAAAVVYLASNAFHLPNYACVVFSVVGITLQLFELVHHLNVLASQQAFPSW
					

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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	34.2	Very low	33.6	Very low	203 Å²	203	170.9 Å²	170.9	100%	1	81%	0.813	S	S	*	*				0	-51	0	-85.8	-158.3	-103.8	0	0	114.1	S3 L4	M1-S3 PolarHBondContact O-N 3.25Å; M1-L4 PolarHBondContact O-N 2.62Å
2	K	32.6	Very low	33	Very low	200 Å²	200	171.2 Å²	171.2	87%	0.87	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-60.3	-40.8	174.9	-91.5	-173.8	172.6	-177.1	0	113.4	L4 K5	K2-L4 VanDerWaalsContact C-N 3.26Å; K2-L4 PolarHBondContact O-N 2.61Å; K2-K5 PolarHBondContact O-N 3.48Å
3	S	31.9	Very low	32.8	Very low	91 Å²	91	169.2 Å²	169.2	64%	0.636	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-72.4	-2.6	179.8	55.6	0	0	0	0	116.6	M1	M1-S3 PolarHBondContact O-N 3.25Å
4	L	38.5	Very low	32.6	Very low	144 Å²	144	170.3 Å²	170.3	75%	0.754	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-96.3	-0.3	178.8	-84.1	162.6	0	0	0	113.2	M1 K2	M1-L4 PolarHBondContact O-N 2.62Å; K2-L4 VanDerWaalsContact C-N 3.26Å; K2-L4 PolarHBondContact O-N 2.61Å
5	K	36.9	Very low	32.5	Very low	177 Å²	177	172.3 Å²	172.3	77%	0.77	83%	0.829	S	S	*	*	S	Bend	trans	-94.4	-9	-179.5	-83.9	-171	168.7	-172.2	0	115.1	K2	K2-K5 PolarHBondContact O-N 3.48Å
6	E	38.5	Very low	32.2	Very low	166 Å²	166	167.9 Å²	167.9	78%	0.776	82%	0.821	S	S	*	*	S	Bend	trans	-105.5	1.8	-168.2	-69.5	169.2	160.9	0	0	114.1
7	K	35.8	Very low	32.1	Very low	201 Å²	201	168.7 Å²	168.7	87%	0.874	82%	0.823	S	S	*	*	S	Bend	trans	-115.2	12.1	-173.9	-71.7	-166.4	173.1	-171	0	116
8	S	33.9	Very low	32.1	Very low	97 Å²	97	163.8 Å²	163.8	68%	0.678	81%	0.814	S	S	*	*	S	Bend	trans	-126.4	27	-177	73.6	0	0	0	0	114
9	F	27.6	Very low	32.2	Very low	184 Å²	184	164.1 Å²	164.1	81%	0.807	82%	0.819	S	S	*	*			trans	-140.2	86.5	178.7	-102.8	-88	0	0	0	108.7
10	Y	30.3	Very low	32.1	Very low	229 Å²	229	159.5 Å²	159.5	90%	0.898	82%	0.815	S	S	*	*			trans	-176.7	156	155.2	-96.2	-63.6	0	0	0	108
11	Q	28.9	Very low	32	Very low	188 Å²	188	158.3 Å²	158.3	88%	0.879	82%	0.818	S	S	*	*			trans	71.1	71.5	-176.3	-58.4	-175.7	-41.9	0	0	116.6
12	L	27	Very low	31.8	Very low	174 Å²	174	153.8 Å²	153.8	91%	0.911	81%	0.806	S	S	*	*			trans	-159.6	76.6	143.6	-99.4	-177.4	0	0	0	107.7
13	D	29.6	Very low	31.6	Very low	145 Å²	145	153.7 Å²	153.7	78%	0.775	81%	0.806	S	S	*	*			trans	-130.3	143.3	172.3	-82.3	-50.2	0	0	0	109.7
14	E	30.1	Very low	31.4	Very low	185 Å²	185	161.4 Å²	161.4	86%	0.864	82%	0.821	S	S	*	*			trans	56.5	97.8	158	-61.8	179.2	167.1	0	0	119.4
15	E	30.8	Very low	30.8	Very low	201 Å²	201	166.9 Å²	166.9	94%	0.939	83%	0.832	S	S	*	*				-155.8	127.8	118.9	-112.9	171.7	-160.2	0	0	111.8
16	S	29	Very low	30.4	Very low	101 Å²	101	164 Å²	164	71%	0.706	83%	0.829	S	S	*	*			trans	-86.1	171.5	173.7	54.2	0	0	0	0	109.9
17	E	29.2	Very low	30.1	Very low	182 Å²	182	159.2 Å²	159.2	85%	0.85	81%	0.811	S	S	*	*			cis	-165.7	177.6	15.8	-144.6	162.1	-145.2	0	0	110.7
18	A	33.7	Very low	30	Very low	80 Å²	80	155.3 Å²	155.3	66%	0.661	80%	0.803	S	S	*	*			trans	79	129.5	161.1	0	0	0	0	0	122
19	N	33.3	Very low	29.7	Very low	169 Å²	169	161.7 Å²	161.7	90%	0.904	81%	0.813	S	S	*	*			trans	64.5	125.2	165.4	-53.3	-28.1	0	0	0	117.6
20	G	30.9	Very low	30.1	Very low	72 Å²	72	158.9 Å²	158.9	74%	0.742	80%	0.802	S	S	*	*			cis	-167.4	164.9	-3.1	0	0	0	0	0	109.5
21	P	29.5	Very low	30.3	Very low	135 Å²	135	154 Å²	154	88%	0.877	79%	0.788	S	S	*	*			trans	-100	127.3	-150.6	34.9	-33.5	0	0	0	116.3
22	S	28.9	Very low	30.4	Very low	109 Å²	109	150.3 Å²	150.3	76%	0.762	77%	0.773	S	S	*	*			trans	-164.7	145.8	142.2	61.2	0	0	0	0	114.7
23	K	28.8	Very low	30.5	Very low	198 Å²	198	149.7 Å²	149.7	86%	0.861	76%	0.763	S	S	*	*	S	Bend	trans	48	85.6	156	-63	176.5	179.7	177.7	0	119.6
24	R	29	Very low	30.7	Very low	253 Å²	253	147.1 Å²	147.1	96%	0.955	75%	0.752	S	S	*	*				171	76.8	124.4	-92.6	167.8	-178	-172.5	2.3	112.1
25	R	24.2	Very low	30.8	Very low	258 Å²	258	144.2 Å²	144.2	97%	0.974	74%	0.742	S	S	*	*			trans	-110.4	43.4	177.7	-119	-172.4	-171.5	-173.3	4.6	114
26	V	28.6	Very low	30.9	Very low	117 Å²	117	140.6 Å²	140.6	71%	0.709	73%	0.729	S	S	*	*			trans	-148.2	107.6	167.4	-155	0	0	0	0	106.6
27	T	33.8	Very low	30.9	Very low	65 Å²	65	145.8 Å²	145.8	40%	0.399	73%	0.733	S	S	.	*				-175.3	18.5	91.8	33.4	0	0	0	0	113.6	R29 Q30 Q31	T27-R29 PolarHBondContact O-N 3.17Å; T27-Q30 PolarHBondContact O-N 3.18Å; T27-Q31 PolarHBondContact O-N 3.14Å
28	V	32.3	Very low	31	Very low	119 Å²	119	143.2 Å²	143.2	72%	0.721	72%	0.719	S	S	*	*	H	α-helix	trans	-57	-26.7	-176.6	-177.9	0	0	0	0	113.3
29	R	28.7	Very low	31	Very low	231 Å²	231	146.2 Å²	146.2	87%	0.872	72%	0.724	S	S	*	*	H	α-helix	trans	-82.8	-4.2	173	-86.6	-178.5	171.1	168.8	-3.2	116	T27	T27-R29 PolarHBondContact O-N 3.17Å
30	Q	34.7	Very low	30.7	Very low	125 Å²	125	143.6 Å²	143.6	58%	0.584	71%	0.709	S	S	*	*	H	α-helix	trans	-105.8	-35.2	176.6	-81.6	176.6	-26.5	0	0	112.8	T27 L32 K33 V34	T27-Q30 PolarHBondContact O-N 3.18Å; Q30-L32 PolarHBondContact O-N 3.48Å; Q30-K33 PolarHBondContact O-N 3.31Å; Q30-V34 PolarHBondContact O-N 2.82Å
31	Q	34.9	Very low	30.6	Very low	127 Å²	127	146.7 Å²	146.7	59%	0.593	71%	0.708	S	S	*	*	H	α-helix	trans	-64.4	-38.5	174.8	-73.5	179.6	-24.3	0	0	112.5	T27 K33 V34 L35	T27-Q31 PolarHBondContact O-N 3.14Å; Q31-K33 VanDerWaalsContact C-N 3.31Å; Q31-K33 PolarHBondContact O-N 3.11Å; Q31-V34 PolarHBondContact O-N 3.28Å; Q31-L35 PolarHBondContact O-N 3.28Å; Q31-L35 VanDerWaalsContact O-N 3.07Å
32	L	30.8	Very low	30.7	Very low	111 Å²	111	147 Å²	147	58%	0.581	71%	0.707	S	S	*	*	H	α-helix	trans	-63.6	-31.4	173	-105.9	81.5	0	0	0	113.7	Q30 V34 L36	Q30-L32 PolarHBondContact O-N 3.48Å; L32-V34 VanDerWaalsContact C-N 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.28Å; L32-L36 PolarHBondContact O-N 2.63Å; L32-L36 VanDerWaalsContact O-N 3.1Å
33	K	28.8	Very low	30.8	Very low	161 Å²	161	145 Å²	145	70%	0.7	70%	0.697	S	S	*	*	H	α-helix	trans	-76.7	-16.7	177.5	-85.4	-175.5	174.1	179.3	0	113.7	Q30 Q31	Q30-K33 PolarHBondContact O-N 3.31Å; Q31-K33 VanDerWaalsContact C-N 3.31Å; Q31-K33 PolarHBondContact O-N 3.11Å
34	V	34.5	Very low	30.8	Very low	90 Å²	90	141 Å²	141	55%	0.545	69%	0.685	S	S	.	*	H	α-helix	trans	-89.3	-40	173.4	177.1	0	0	0	0	110.8	Q30 Q31 L32 L36 R37 K38	Q30-V34 PolarHBondContact O-N 2.82Å; Q31-V34 PolarHBondContact O-N 3.28Å; L32-V34 VanDerWaalsContact C-N 3.32Å; V34-L36 VanDerWaalsContact C-N 3.34Å; V34-L36 PolarHBondContact O-N 3.1Å; V34-R37 PolarHBondContact O-N 2.76Å; V34-R37 VanDerWaalsContact O-N 3.15Å; V34-K38 PolarHBondContact O-N 3.49Å
35	L	32.3	Very low	30.8	Very low	124 Å²	124	140.2 Å²	140.2	65%	0.649	68%	0.682	S	S	*	*	H	α-helix	trans	-63.4	-35.8	173.1	-81	159.4	0	0	0	112.9	Q31 R37	Q31-L35 PolarHBondContact O-N 3.28Å; Q31-L35 VanDerWaalsContact O-N 3.07Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 2.94Å
36	L	32.5	Very low	31.1	Very low	125 Å²	125	135.7 Å²	135.7	65%	0.654	67%	0.672	S	S	*	*	H	α-helix	trans	-78.6	-4.9	174	-86.4	156.9	0	0	0	115.1	L32 V34	L32-L36 WeakPolarHBondContact O-CB 3.28Å; L32-L36 PolarHBondContact O-N 2.63Å; L32-L36 VanDerWaalsContact O-N 3.1Å; V34-L36 VanDerWaalsContact C-N 3.34Å; V34-L36 PolarHBondContact O-N 3.1Å
37	R	29.8	Very low	31	Very low	211 Å²	211	138.4 Å²	138.4	80%	0.796	67%	0.674	S	S	*	*	H	α-helix	trans	-102.5	-15.2	177.8	-94.4	-177.9	167.2	-178	-4.5	115.1	V34 L35	V34-R37 PolarHBondContact O-N 2.76Å; V34-R37 VanDerWaalsContact O-N 3.15Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 2.94Å
38	K	31	Very low	30.8	Very low	128 Å²	128	141.3 Å²	141.3	56%	0.557	69%	0.687	S	S	*	*	H	α-helix	trans	-90.3	-18.9	175	-82.1	179.3	171.6	169.2	0	114.7	V34 A875	V34-K38 PolarHBondContact O-N 3.49Å; K38-A875 PolarHBondContact NZ-O 2.92Å
39	N	32.6	Very low	30.8	Very low	142 Å²	142	138.6 Å²	138.6	76%	0.759	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	12.3	176.8	-75.8	-15.7	0	0	0	115.1
40	L	28.3	Very low	30.8	Very low	115 Å²	115	135.9 Å²	135.9	60%	0.602	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-4.9	-179.7	-133.1	87.4	0	0	0	114.9
41	L	29.3	Very low	30.4	Very low	136 Å²	136	139.9 Å²	139.9	71%	0.712	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-86.9	-6.3	-178.1	-96.4	160.4	0	0	0	114.7	L44	L41-L44 HydrophobicContact CD2-CD1 4.38Å
42	V	31.2	Very low	30.2	Very low	142 Å²	142	145 Å²	145	86%	0.861	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-84.4	-13.9	169.1	-179.8	0	0	0	0	111.7
43	A	30.3	Very low	30	Very low	68 Å²	68	149.7 Å²	149.7	56%	0.562	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-92.1	8.2	178.6	0	0	0	0	0	114.5
44	L	28.6	Very low	29.9	Very low	114 Å²	114	146.6 Å²	146.6	60%	0.597	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-114.8	10.7	-174.4	-78.7	170	0	0	0	115.2	L41	L41-L44 HydrophobicContact CD2-CD1 4.38Å
45	R	29	Very low	29.6	Very low	235 Å²	235	149.3 Å²	149.3	89%	0.887	72%	0.715	S	S	*	*	S	Bend	trans	-97.9	7.6	172	-89.9	-174.6	172.5	177.4	-0.8	115.4
46	E	30.7	Very low	29.3	Very low	164 Å²	164	151.8 Å²	151.8	77%	0.766	73%	0.725	S	S	*	*	S	Bend	trans	-86.7	-1.4	175.3	-71.1	-166.2	131.5	0	0	114.9
47	K	27.5	Very low	28.9	Very low	173 Å²	173	151 Å²	151	75%	0.752	74%	0.736	S	S	*	*	S	Bend	trans	-83.1	-20.8	-175.8	-95.6	-177.3	173.7	-179.7	0	115.9
48	D	30	Very low	28.7	Very low	126 Å²	126	144.2 Å²	144.2	67%	0.674	73%	0.732	S	S	*	*	S	Bend	trans	-90	-13.5	177.4	-71.2	-48.9	0	0	0	114.2	K50	D48-K50 VanDerWaalsContact C-N 3.26Å; D48-K50 PolarHBondContact O-N 3.48Å
49	A	31.1	Very low	28.5	Very low	62 Å²	62	146.4 Å²	146.4	51%	0.512	74%	0.742	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	-15.2	174.5	0	0	0	0	0	113.9
50	K	29.1	Very low	28.3	Very low	174 Å²	174	146.1 Å²	146.1	76%	0.757	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-14.8	178.3	-85.5	-178	173.6	177.2	0	114.6	D48	D48-K50 VanDerWaalsContact C-N 3.26Å; D48-K50 PolarHBondContact O-N 3.48Å
51	R	26.7	Very low	28.3	Very low	209 Å²	209	145.6 Å²	145.6	79%	0.789	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-5.5	-177.1	-135.8	174.9	-173.3	-179.1	0.1	114.7
52	R	29.2	Very low	28.5	Very low	234 Å²	234	145.4 Å²	145.4	88%	0.883	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	6	174.2	-68.7	-172.9	178.8	-175.2	-0.1	114.5
53	R	27.6	Very low	28.5	Very low	211 Å²	211	145.1 Å²	145.1	80%	0.796	74%	0.735	S	S	*	*	S	Bend	trans	-102.7	17.1	-175.8	-67.9	-171.9	-177.5	175.4	1.2	115
54	S	26.6	Very low	28.7	Very low	96 Å²	96	146.9 Å²	146.9	67%	0.671	73%	0.734	S	S	*	*	S	Bend	trans	-134.7	25.7	-171.6	65.8	0	0	0	0	114.7
55	L	27.4	Very low	28.8	Very low	147 Å²	147	146 Å²	146	77%	0.77	73%	0.733	S	S	*	*	S	Bend	trans	-139.3	14	-168.1	-116.9	159.8	0	0	0	115.9
56	M	27	Very low	28.8	Very low	175 Å²	175	139.7 Å²	139.7	86%	0.862	71%	0.713	S	S	*	*			trans	-139.1	62.6	171.7	-78	-71.7	-166.9	0	0	110.1
57	A	24.3	Very low	28.8	Very low	109 Å²	109	136 Å²	136	90%	0.901	70%	0.703	S	S	*	*			trans	-79.4	120.7	163.3	0	0	0	0	0	108.3
58	G	25.1	Very low	28.8	Very low	69 Å²	69	133.7 Å²	133.7	71%	0.711	70%	0.698	S	S	*	*			trans	104.2	82.5	177.5	0	0	0	0	0	114.8
59	K	27.7	Very low	28.8	Very low	173 Å²	173	135.3 Å²	135.3	75%	0.752	70%	0.696	S	S	*	*			trans	-159.3	145.3	147	-107.8	154.4	-171.8	178.4	0	109.7
60	V	27.9	Very low	28.9	Very low	136 Å²	136	135.7 Å²	135.7	82%	0.824	69%	0.692	S	S	*	*			trans	-71.3	137.8	-161.9	177.8	0	0	0	0	112.2	L62	V60-L62 PolarHBondContact O-N 3.04Å; V60-L62 VanDerWaalsContact O-N 3.14Å
61	N	27	Very low	29	Very low	105 Å²	105	130.1 Å²	130.1	56%	0.561	67%	0.674	S	S	*	*			trans	-66.1	104.8	179.1	-76.3	-10.9	0	0	0	112.1	I64	N61-I64 HydrophobicContact CB-CD1 4.08Å; N61-I64 HydrophobicContact CB-CG1 4.4Å
62	L	33.6	Very low	29.2	Very low	131 Å²	131	124 Å²	124	69%	0.686	67%	0.668	S	S	*	*			trans	-84.2	-17.1	164.7	-92.1	148.4	0	0	0	112.7	V60 I64 V65	V60-L62 PolarHBondContact O-N 3.04Å; V60-L62 VanDerWaalsContact O-N 3.14Å; L62-I64 PolarHBondContact O-N 3.41Å; L62-V65 PolarHBondContact O-N 2.91Å
63	D	32.1	Very low	29.4	Very low	136 Å²	136	118.4 Å²	118.4	73%	0.727	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-7.5	-176.3	-57.1	-26.4	0	0	0	114.8
64	I	34.1	Very low	30	Very low	105 Å²	105	113.5 Å²	113.5	54%	0.538	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.5	-23.3	-178.4	-59.3	174.8	0	0	0	111.7	N61 L62	N61-I64 HydrophobicContact CB-CD1 4.08Å; N61-I64 HydrophobicContact CB-CG1 4.4Å; L62-I64 PolarHBondContact O-N 3.41Å
65	V	30.3	Very low	30.4	Very low	96 Å²	96	110.7 Å²	110.7	58%	0.582	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-36.4	-170.9	-175.3	0	0	0	0	112.3	L62	L62-V65 PolarHBondContact O-N 2.91Å
66	F	29.7	Very low	31	Very low	103 Å²	103	111.7 Å²	111.7	45%	0.452	62%	0.618	S	S	.	*	H	α-helix	trans	-67.3	-43.7	-178.1	-125.5	-103.5	0	0	0	114.3	L68 Y69 V70 A149	F66-L68 VanDerWaalsContact C-N 3.27Å; F66-L68 PolarHBondContact O-N 3.28Å; F66-Y69 PolarHBondContact O-N 3.46Å; F66-V70 PolarHBondContact O-N 3.01Å; F66-A149 HydrophobicContact CZ-CB 4.13Å
67	P	30.4	Very low	31.7	Very low	85 Å²	85	107.8 Å²	107.8	55%	0.552	60%	0.6	S	S	*	*	H	α-helix	trans	-64.3	-29	-179.8	-23.5	35	0	0	0	113.9
68	L	27.9	Very low	32.5	Very low	126 Å²	126	103.9 Å²	103.9	66%	0.66	56%	0.564	S	S	*	*	H	α-helix	trans	-71.9	-32.3	178.5	-91.7	159	0	0	0	112.7	F66 S71	F66-L68 VanDerWaalsContact C-N 3.27Å; F66-L68 PolarHBondContact O-N 3.28Å; L68-S71 WeakPolarHBondContact O-CB 3.19Å; L68-S71 PolarHBondContact O-OG 3.36Å
69	Y	30.4	Very low	33.4	Very low	159 Å²	159	103.3 Å²	103.3	62%	0.624	55%	0.549	S	S	*	.	H	α-helix	trans	-77.8	-33.9	-178.7	-146.7	-92.4	0	0	0	112.8	F66 S71 V156	F66-Y69 PolarHBondContact O-N 3.46Å; Y69-S71 VanDerWaalsContact C-N 3.28Å; Y69-S71 PolarHBondContact O-N 3.44Å; Y69-V156 HydrophobicContact CE1-CG1 4.01Å; Y69-V156 HydrophobicContact CE1-CG2 4.41Å
70	V	33.4	Very low	34.4	Very low	71 Å²	71	98.9 Å²	98.9	43%	0.43	53%	0.533	S	S	.	.	H	α-helix	trans	-70.3	-24.6	176.4	179	0	0	0	0	112.2	F66 A72 K73 F74	F66-V70 PolarHBondContact O-N 3.01Å; V70-A72 PolarHBondContact O-N 3.23Å; V70-A72 VanDerWaalsContact O-N 3.16Å; V70-K73 PolarHBondContact O-N 2.97Å; V70-K73 VanDerWaalsContact O-N 3.15Å; V70-F74 HydrophobicContact CG1-CD2 4.29Å; V70-F74 HydrophobicContact CG1-CE2 4.43Å
71	S	31	Very low	35.4	Very low	56 Å²	56	99.2 Å²	99.2	39%	0.392	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-57.4	-30.6	179.4	76.3	0	0	0	0	114.2	L68 Y69 K73 F74 A75	L68-S71 WeakPolarHBondContact O-CB 3.19Å; L68-S71 PolarHBondContact O-OG 3.36Å; Y69-S71 VanDerWaalsContact C-N 3.28Å; Y69-S71 PolarHBondContact O-N 3.44Å; S71-K73 VanDerWaalsContact C-N 3.33Å; S71-K73 PolarHBondContact O-N 3.45Å; S71-F74 PolarHBondContact O-N 2.81Å; S71-A75 PolarHBondContact O-N 3.01Å
72	A	30.4	Very low	36.4	Very low	80 Å²	80	102 Å²	102	66%	0.661	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-68.4	-29.3	-179.5	0	0	0	0	0	113.3	V70 F74	V70-A72 PolarHBondContact O-N 3.23Å; V70-A72 VanDerWaalsContact O-N 3.16Å; A72-F74 VanDerWaalsContact C-N 3.33Å
73	K	33.8	Very low	37.1	Very low	118 Å²	118	97.9 Å²	97.9	51%	0.513	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-79.1	-17.4	179.2	-131.5	-179.5	-178.3	-165.8	0	112.4	V70 S71 E155	V70-K73 PolarHBondContact O-N 2.97Å; V70-K73 VanDerWaalsContact O-N 3.15Å; S71-K73 VanDerWaalsContact C-N 3.33Å; S71-K73 PolarHBondContact O-N 3.45Å; K73-E155 IonicContact NZ-OE1 2.89Å; K73-E155 PolarHBondContact NZ-OE1 2.94Å; K73-E155 IonicContact NZ-OE2 3.66Å; K73-E155 PolarHBondContact NZ-OE2 3.27Å
74	F	39.1	Very low	37.9	Very low	108 Å²	108	92 Å²	92	47%	0.474	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-108.3	7.5	-177.8	-82.5	-90.6	0	0	0	114.6	V70 S71 A72 H76 L77 L78	V70-F74 HydrophobicContact CG1-CD2 4.29Å; V70-F74 HydrophobicContact CG1-CE2 4.43Å; S71-F74 PolarHBondContact O-N 2.81Å; A72-F74 VanDerWaalsContact C-N 3.33Å; F74-H76 PolarHBondContact O-N 2.87Å; F74-L77 HydrophobicContact CD1-CB 4.25Å; F74-L77 HydrophobicContact CD1-CD1 3.85Å; F74-L77 HydrophobicContact CD1-CG 4.46Å; F74-L77 HydrophobicContact CE1-CD1 4.22Å; F74-L77 PolarHBondContact O-N 2.85Å; F74-L78 PolarHBondContact O-N 3.3Å
75	A	35.8	Very low	38.8	Very low	37 Å²	37	91.8 Å²	91.8	31%	0.306	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-16	-178.3	0	0	0	0	0	115	S71	S71-A75 PolarHBondContact O-N 3.01Å
76	H	40.5	Very low	39.4	Very low	168 Å²	168	94.6 Å²	94.6	78%	0.778	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-18.9	175.8	-130.4	-61.3	0	0	0	114.4	F74	F74-H76 PolarHBondContact O-N 2.87Å
77	L	41.4	Very low	39.8	Very low	92 Å²	92	97.7 Å²	97.7	48%	0.482	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-19	174.7	-79.8	104.5	0	0	0	112.9	F74 C79 L83	F74-L77 HydrophobicContact CD1-CB 4.25Å; F74-L77 HydrophobicContact CD1-CD1 3.85Å; F74-L77 HydrophobicContact CD1-CG 4.46Å; F74-L77 HydrophobicContact CE1-CD1 4.22Å; F74-L77 PolarHBondContact O-N 2.85Å; L77-C79 PolarHBondContact O-N 3.17Å; L77-L83 HydrophobicContact CD2-CD1 4.31Å
78	L	40.9	Very low	40.3	Very low	27 Å²	27	97 Å²	97	14%	0.141	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	11.1	177.5	-70.2	166.9	0	0	0	114.3	F74 F84 L88 H103	F74-L78 PolarHBondContact O-N 3.3Å; L78-F84 HydrophobicContact CD2-CD2 4.22Å; L78-L88 HydrophobicContact CD2-CD1 4.01Å; L78-H103 PolarHBondContact O-CD2 2.64Å
79	C	43.6	Very low	41	Very low	57 Å²	57	98 Å²	98	39%	0.385	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.8	172.9	-65.5	0	0	0	0	113	L77	L77-C79 PolarHBondContact O-N 3.17Å
80	D	49.1	Very low	41.6	Very low	81 Å²	81	93 Å²	93	43%	0.433	48%	0.482	S	S	.	.	S	Bend	trans	-107.3	123.2	179.6	-171.9	-14.7	0	0	0	109.1	E82 L83 F84	D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 3.33Å; D80-E82 PolarHBondContact OD1-N 2.75Å; D80-L83 HydrophobicContact CB-CB 4.15Å; D80-L83 HydrophobicContact CB-CD1 3.9Å; D80-L83 HydrophobicContact CB-CG 4.01Å; D80-L83 PolarHBondContact O-N 3.47Å; D80-L83 VanDerWaalsContact O-N 3.13Å; D80-F84 PolarHBondContact O-N 2.91Å
81	E	48.7	Very low	41.7	Very low	142 Å²	142	94.1 Å²	94.1	66%	0.664	49%	0.491	S	S	*	.	H	α-helix	trans	-68	-33.2	-169.1	-148.1	166.6	-144.6	0	0	111.6	L83	E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 2.66Å
82	E	47.8	Very low	41.9	Very low	164 Å²	164	99.8 Å²	99.8	77%	0.766	52%	0.517	S	S	*	.	H	α-helix	trans	-71.3	-26.8	174.8	-67.2	-165.6	169.8	0	0	112.9	D80 K86	D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 3.33Å; D80-E82 PolarHBondContact OD1-N 2.75Å; E82-K86 WeakPolarHBondContact O-CB 3.46Å
83	L	48.1	Very low	42.6	Very low	45 Å²	45	99.8 Å²	99.8	24%	0.236	53%	0.525	C	S	.	.	H	α-helix	trans	-87.4	-33.2	177.9	-58.2	179.6	0	0	0	111.4	L77 D80 E81 D85 K86 Y87	L77-L83 HydrophobicContact CD2-CD1 4.31Å; D80-L83 HydrophobicContact CB-CB 4.15Å; D80-L83 HydrophobicContact CB-CD1 3.9Å; D80-L83 HydrophobicContact CB-CG 4.01Å; D80-L83 PolarHBondContact O-N 3.47Å; D80-L83 VanDerWaalsContact O-N 3.13Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 2.66Å; L83-D85 VanDerWaalsContact C-N 3.33Å; L83-D85 PolarHBondContact O-N 3.47Å; L83-K86 PolarHBondContact O-N 2.87Å; L83-K86 VanDerWaalsContact O-N 3.15Å; L83-Y87 HydrophobicContact CB-CD2 4.3Å; L83-Y87 HydrophobicContact CD2-CD2 4.5Å; L83-Y87 HydrophobicContact CD2-CE2 3.99Å; L83-Y87 WeakPolarHBondContact O-CD2 3.36Å; L83-Y87 PolarHBondContact O-N 2.83Å; L83-Y87 VanDerWaalsContact O-N 3.09Å
84	F	50.6	Low	43.4	Very low	13 Å²	13	97.1 Å²	97.1	6%	0.057	52%	0.515	C	S	.	.	H	α-helix	trans	-55.6	-47	175.5	-170.2	-92.3	0	0	0	111.5	L78 D80 K86 L88 K99 L102 H103	L78-F84 HydrophobicContact CD2-CD2 4.22Å; D80-F84 PolarHBondContact O-N 2.91Å; F84-K86 VanDerWaalsContact C-N 3.34Å; F84-K86 PolarHBondContact O-N 3.15Å; F84-L88 HydrophobicContact CE2-CD1 4.35Å; F84-L88 VanDerWaalsContact O-CB 3.31Å; F84-L88 WeakPolarHBondContact O-CB 3.4Å; F84-L88 PolarHBondContact O-N 3.42Å; F84-K99 HydrophobicContact CE1-CG 4.1Å; F84-L102 HydrophobicContact CZ-CB 4.4Å; F84-H103 AromaticContact CD2-CD2 3.95Å; F84-H103 HydrophobicContact CE2-CB 4.15Å; F84-H103 HydrophobicContact CZ-CB 4.15Å
85	D	51.9	Low	44.3	Very low	99 Å²	99	97.9 Å²	97.9	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-74.3	-22	178.6	-86.4	16.8	0	0	0	114.1	L83 K99	L83-D85 VanDerWaalsContact C-N 3.33Å; L83-D85 PolarHBondContact O-N 3.47Å; D85-K99 WeakPolarHBondContact OD1-CE 3.4Å; D85-K99 IonicContact OD1-NZ 3.1Å; D85-K99 PolarHBondContact OD1-NZ 3.49Å; D85-K99 IonicContact OD2-NZ 2.84Å; D85-K99 PolarHBondContact OD2-NZ 3.47Å
86	K	42.1	Very low	45.5	Very low	156 Å²	156	102.2 Å²	102.2	68%	0.678	54%	0.542	S	S	*	.	H	α-helix	trans	-87.6	-26	-175.4	-166.3	174.3	-172.2	175.3	0	113.7	E82 L83 F84	E82-K86 WeakPolarHBondContact O-CB 3.46Å; L83-K86 PolarHBondContact O-N 2.87Å; L83-K86 VanDerWaalsContact O-N 3.15Å; F84-K86 VanDerWaalsContact C-N 3.34Å; F84-K86 PolarHBondContact O-N 3.15Å
87	Y	38.2	Very low	46.5	Very low	168 Å²	168	102.9 Å²	102.9	66%	0.659	54%	0.543	S	S	*	.	H	α-helix	trans	-112.5	-11.7	-174.6	-71.9	-83.1	0	0	0	114.5	L83	L83-Y87 HydrophobicContact CB-CD2 4.3Å; L83-Y87 HydrophobicContact CD2-CD2 4.5Å; L83-Y87 HydrophobicContact CD2-CE2 3.99Å; L83-Y87 WeakPolarHBondContact O-CD2 3.36Å; L83-Y87 PolarHBondContact O-N 2.83Å; L83-Y87 VanDerWaalsContact O-N 3.09Å
88	L	42.4	Very low	47.1	Very low	69 Å²	69	103.6 Å²	103.6	36%	0.361	54%	0.544	S	S	.	.			trans	-111.1	94.2	-176	-135.9	138.5	0	0	0	111.8	L78 F84 L90	L78-L88 HydrophobicContact CD2-CD1 4.01Å; F84-L88 HydrophobicContact CE2-CD1 4.35Å; F84-L88 VanDerWaalsContact O-CB 3.31Å; F84-L88 WeakPolarHBondContact O-CB 3.4Å; F84-L88 PolarHBondContact O-N 3.42Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 HydrophobicContact CD2-CD2 3.4Å; L88-L90 VanDerWaalsContact CD2-CD2 3.4Å; L88-L90 HydrophobicContact CD2-CG 3.71Å; L88-L90 PolarHBondContact O-N 3.2Å
89	V	41.2	Very low	47.9	Very low	147 Å²	147	105.2 Å²	105.2	89%	0.891	55%	0.55	S	S	*	.			trans	-74.2	86.1	174.7	-175.7	0	0	0	0	109.5
90	L	44	Very low	48.7	Very low	54 Å²	54	106.6 Å²	106.6	28%	0.283	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-72.1	142.4	171.7	-70.9	176.3	0	0	0	111.1	L88 I94	L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 HydrophobicContact CD2-CD2 3.4Å; L88-L90 VanDerWaalsContact CD2-CD2 3.4Å; L88-L90 HydrophobicContact CD2-CG 3.71Å; L88-L90 PolarHBondContact O-N 3.2Å; L90-I94 HydrophobicContact CB-CD1 4.22Å; L90-I94 HydrophobicContact CD1-CD1 4.31Å; L90-I94 HydrophobicContact CD2-CD1 3.96Å; L90-I94 HydrophobicContact CG-CD1 4.39Å
91	P	36	Very low	49.2	Very low	96 Å²	96	111.5 Å²	111.5	62%	0.623	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-64.2	140.8	172.4	27.4	-33.6	0	0	0	110.7	G93 I94	P91-G93 PolarHBondContact O-N 2.79Å; P91-I94 HydrophobicContact CG-CD1 4.35Å
92	N	35.1	Very low	49.4	Very low	175 Å²	175	108.5 Å²	108.5	94%	0.936	56%	0.561	S	S	*	*	S	Bend	trans	-55.4	120.7	-178.7	-66	-25.2	0	0	0	111.6
93	G	44.2	Very low	50.1	Low	80 Å²	80	102.4 Å²	102.4	83%	0.825	53%	0.532	S	S	*	.			trans	126	16	171.4	0	0	0	0	0	117.2	P91	P91-G93 PolarHBondContact O-N 2.79Å
94	I	51.5	Low	50.5	Low	61 Å²	61	101.8 Å²	101.8	31%	0.313	54%	0.537	S	S	.	.			trans	-92.7	129.9	176	-60.6	178.8	0	0	0	110.2	L90 P91 E98	L90-I94 HydrophobicContact CB-CD1 4.22Å; L90-I94 HydrophobicContact CD1-CD1 4.31Å; L90-I94 HydrophobicContact CD2-CD1 3.96Å; L90-I94 HydrophobicContact CG-CD1 4.39Å; P91-I94 HydrophobicContact CG-CD1 4.35Å; I94-E98 HydrophobicContact CG2-CB 3.72Å
95	D	56.3	Low	50.6	Low	124 Å²	124	105.2 Å²	105.2	66%	0.663	56%	0.555	S	S	*	*			trans	-69	146.6	176.8	-80.7	-17.8	0	0	0	112.4	K97 E98 K99	D95-K97 PolarHBondContact O-N 2.99Å; D95-E98 PolarHBondContact O-N 2.86Å; D95-K99 PolarHBondContact O-N 2.85Å
96	D	61	Low	50.5	Low	128 Å²	128	102.1 Å²	102.1	68%	0.684	54%	0.543	S	S	*	.	H	α-helix	trans	-53.2	-27.6	177.3	-70.9	-41.8	0	0	0	113.6	K99 S100	D96-K99 PolarHBondContact O-N 3.04Å; D96-S100 PolarHBondContact O-N 3.21Å
97	K	61.5	Low	50.8	Low	182 Å²	182	97 Å²	97	79%	0.791	53%	0.527	S	S	*	.	H	α-helix	trans	-66.6	-36.1	176.7	-129.1	177.4	-172.9	175	0	112.7	D95 R101	D95-K97 PolarHBondContact O-N 2.99Å; K97-R101 WeakPolarHBondContact O-CB 3.23Å; K97-R101 PolarHBondContact O-N 2.86Å
98	E	54	Low	51	Low	107 Å²	107	98.7 Å²	98.7	50%	0.5	53%	0.532	S	S	.	.	H	α-helix	trans	-78.6	-36.5	173.9	-69.5	-159	132.4	0	0	111.4	I94 D95 S100 R101 L102	I94-E98 HydrophobicContact CG2-CB 3.72Å; D95-E98 PolarHBondContact O-N 2.86Å; E98-S100 PolarHBondContact O-N 3.07Å; E98-R101 WeakPolarHBondContact O-CA 3.23Å; E98-R101 WeakPolarHBondContact O-CB 3.46Å; E98-R101 PolarHBondContact O-N 2.78Å; E98-L102 WeakPolarHBondContact O-CG 3.29Å; E98-L102 PolarHBondContact O-N 2.96Å
99	K	57.9	Low	51	Low	61 Å²	61	101.7 Å²	101.7	27%	0.265	54%	0.544	S	S	.	.	H	α-helix	trans	-55.9	-49.4	173.5	-164.8	-177.8	178.4	-168.4	0	111.8	F84 D85 D95 D96 R101 L102 H103	F84-K99 HydrophobicContact CE1-CG 4.1Å; D85-K99 WeakPolarHBondContact OD1-CE 3.4Å; D85-K99 IonicContact OD1-NZ 3.1Å; D85-K99 PolarHBondContact OD1-NZ 3.49Å; D85-K99 IonicContact OD2-NZ 2.84Å; D85-K99 PolarHBondContact OD2-NZ 3.47Å; D95-K99 PolarHBondContact O-N 2.85Å; D96-K99 PolarHBondContact O-N 3.04Å; K99-R101 VanDerWaalsContact C-N 3.3Å; K99-R101 PolarHBondContact O-N 3.22Å; K99-L102 PolarHBondContact O-N 3.21Å; K99-H103 PolarHBondContact O-N 3.41Å
100	S	61.9	Low	51	Low	87 Å²	87	97 Å²	97	61%	0.608	52%	0.518	S	S	*	.	H	α-helix	trans	-60.2	-36.1	172.2	-81.3	0	0	0	0	113.4	D96 E98 G104	D96-S100 PolarHBondContact O-N 3.21Å; E98-S100 PolarHBondContact O-N 3.07Å; S100-G104 PolarHBondContact O-N 3.36Å
101	R	59.2	Low	50.6	Low	183 Å²	183	105.4 Å²	105.4	69%	0.691	55%	0.546	S	S	*	.	H	α-helix	trans	-70.7	-36.9	-179.6	-160.1	177.6	-173.1	-173.7	1.4	111.9	K97 E98 K99 L105	K97-R101 WeakPolarHBondContact O-CB 3.23Å; K97-R101 PolarHBondContact O-N 2.86Å; E98-R101 WeakPolarHBondContact O-CA 3.23Å; E98-R101 WeakPolarHBondContact O-CB 3.46Å; E98-R101 PolarHBondContact O-N 2.78Å; K99-R101 VanDerWaalsContact C-N 3.3Å; K99-R101 PolarHBondContact O-N 3.22Å; R101-L105 WeakPolarHBondContact O-CG 3.44Å; R101-L105 PolarHBondContact O-N 3.1Å
102	L	53.3	Low	50.4	Low	79 Å²	79	105 Å²	105	41%	0.414	55%	0.545	S	S	.	.	H	α-helix	trans	-67.9	-46.7	174.3	-73.3	165	0	0	0	111.6	F84 E98 K99 G104 L105 A106	F84-L102 HydrophobicContact CZ-CB 4.4Å; E98-L102 WeakPolarHBondContact O-CG 3.29Å; E98-L102 PolarHBondContact O-N 2.96Å; K99-L102 PolarHBondContact O-N 3.21Å; L102-G104 VanDerWaalsContact C-N 3.32Å; L102-G104 PolarHBondContact O-N 3.44Å; L102-L105 PolarHBondContact O-N 3.46Å; L102-L105 VanDerWaalsContact O-N 3.12Å; L102-A106 PolarHBondContact O-N 3.08Å
103	H	62.6	Low	50.2	Low	36 Å²	36	102 Å²	102	17%	0.167	53%	0.533	C	S	.	.	H	α-helix	trans	-59.2	-42.6	174.5	-175	-140.5	0	0	0	111.6	L78 F84 K99 L105 A106 C107	L78-H103 PolarHBondContact O-CD2 2.64Å; F84-H103 AromaticContact CD2-CD2 3.95Å; F84-H103 HydrophobicContact CE2-CB 4.15Å; F84-H103 HydrophobicContact CZ-CB 4.15Å; K99-H103 PolarHBondContact O-N 3.41Å; H103-L105 VanDerWaalsContact C-N 3.34Å; H103-L105 PolarHBondContact O-N 2.75Å; H103-A106 PolarHBondContact O-N 3.49Å; H103-C107 PolarHBondContact O-N 3.12Å
104	G	56.5	Low	49.5	Very low	32 Å²	32	106.5 Å²	106.5	33%	0.33	54%	0.538	S	S	.	.	H	α-helix	trans	-65.4	-29.1	174.4	0	0	0	0	0	115	S100 L102 R108	S100-G104 PolarHBondContact O-N 3.36Å; L102-G104 VanDerWaalsContact C-N 3.32Å; L102-G104 PolarHBondContact O-N 3.44Å; G104-R108 WeakPolarHBondContact O-CG 3.15Å; G104-R108 PolarHBondContact O-N 3.15Å
105	L	52	Low	48.3	Very low	86 Å²	86	112.9 Å²	112.9	45%	0.45	56%	0.563	S	S	.	*	H	α-helix	trans	-75.3	-39.7	174.6	-83	163.3	0	0	0	112.1	R101 L102 H103 R108 H109	R101-L105 WeakPolarHBondContact O-CG 3.44Å; R101-L105 PolarHBondContact O-N 3.1Å; L102-L105 PolarHBondContact O-N 3.46Å; L102-L105 VanDerWaalsContact O-N 3.12Å; H103-L105 VanDerWaalsContact C-N 3.34Å; H103-L105 PolarHBondContact O-N 2.75Å; L105-R108 PolarHBondContact O-N 3.01Å; L105-H109 PolarHBondContact O-N 2.88Å; L105-H109 PolarHBondContact O-ND1 3.26Å
106	A	48.9	Very low	47	Very low	33 Å²	33	116.1 Å²	116.1	27%	0.273	57%	0.574	S	S	.	*	H	α-helix	trans	-61.9	-48.1	174.2	0	0	0	0	0	111.3	L102 H103 R108 H109	L102-A106 PolarHBondContact O-N 3.08Å; H103-A106 PolarHBondContact O-N 3.49Å; A106-R108 PolarHBondContact O-N 2.8Å; A106-H109 PolarHBondContact O-N 3.28Å
107	C	48.8	Very low	45.6	Very low	50 Å²	50	116.3 Å²	116.3	34%	0.338	58%	0.58	S	S	.	*	H	α-helix	trans	-60.6	-25.8	175.6	-82.9	0	0	0	0	114.4	H103	H103-C107 PolarHBondContact O-N 3.12Å
108	R	41.7	Very low	44.1	Very low	202 Å²	202	114.7 Å²	114.7	76%	0.762	58%	0.58	S	S	*	*	H	α-helix	trans	-84.7	-33	180	-79.1	-178.9	-174.3	-171.6	3.3	114	G104 L105 A106	G104-R108 WeakPolarHBondContact O-CG 3.15Å; G104-R108 PolarHBondContact O-N 3.15Å; L105-R108 PolarHBondContact O-N 3.01Å; A106-R108 PolarHBondContact O-N 2.8Å
109	H	44.3	Very low	43.1	Very low	132 Å²	132	113.7 Å²	113.7	61%	0.611	58%	0.577	S	S	*	*	H	α-helix	trans	-80.6	-18.5	-175.2	-79.5	81.8	0	0	0	114.3	L105 A106 R111	L105-H109 PolarHBondContact O-N 2.88Å; L105-H109 PolarHBondContact O-ND1 3.26Å; A106-H109 PolarHBondContact O-N 3.28Å; H109-R111 VanDerWaalsContact C-N 3.25Å; H109-R111 PolarHBondContact O-N 3.41Å
110	S	39.7	Very low	41.9	Very low	50 Å²	50	115.7 Å²	115.7	35%	0.35	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	-6.6	-176.2	60.8	0	0	0	0	115.4
111	R	35.5	Very low	40.7	Very low	229 Å²	229	115.8 Å²	115.8	86%	0.864	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	-5.2	-168.1	-71.4	-172.5	176.8	-177.1	0.7	117.6	H109	H109-R111 VanDerWaalsContact C-N 3.25Å; H109-R111 PolarHBondContact O-N 3.41Å
112	S	33.3	Very low	39.6	Very low	88 Å²	88	110.7 Å²	110.7	62%	0.615	59%	0.586	S	S	*	*	S	Bend	trans	-128	-21	-160.2	52	0	0	0	0	120.5
113	T	30.3	Very low	38.7	Very low	112 Å²	112	111.3 Å²	111.3	69%	0.687	59%	0.593	S	S	*	*			trans	-139.1	50.5	-151.4	27.6	0	0	0	0	116.9
114	L	29.5	Very low	37.6	Very low	175 Å²	175	113.7 Å²	113.7	92%	0.916	61%	0.612	S	S	*	*			trans	-122.4	30.6	176.6	-92.5	169.2	0	0	0	115.5
115	K	27	Very low	36.8	Very low	194 Å²	194	118.2 Å²	118.2	84%	0.843	62%	0.624	S	S	*	*	S	Bend	trans	-129.3	128.8	163.8	-73.7	-176.7	177.3	178.2	0	109.5
116	Q	28.3	Very low	36.1	Very low	193 Å²	193	118 Å²	118	90%	0.902	62%	0.623	S	S	*	*			trans	70.9	95.1	173	-56.6	175.7	-46	0	0	117.4
117	V	31.7	Very low	35.5	Very low	132 Å²	132	120.1 Å²	120.1	80%	0.8	64%	0.636	S	S	*	*			trans	-143.8	126.7	150.4	-177.3	0	0	0	0	108.2
118	D	30.3	Very low	35	Very low	148 Å²	148	124.7 Å²	124.7	79%	0.791	65%	0.652	S	S	*	*			trans	-82.4	131.6	177	-79.9	-48.4	0	0	0	111.9
119	L	33	Very low	34.8	Very low	85 Å²	85	117.8 Å²	117.8	45%	0.445	64%	0.638	S	S	.	*			trans	-88.2	4.9	-172	-92.2	103.3	0	0	0	115.9	S121 L122 L162	L119-S121 PolarHBondContact O-N 3.49Å; L119-S121 VanDerWaalsContact O-N 3.1Å; L119-L122 PolarHBondContact O-N 3.37Å; L119-L162 HydrophobicContact CD2-CD1 4.38Å; L119-L162 HydrophobicContact CD2-CD2 4.29Å
120	S	32.2	Very low	34.4	Very low	104 Å²	104	114.4 Å²	114.4	73%	0.727	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-10.4	-171.2	54.1	0	0	0	0	115.7	T123	S120-T123 PolarHBondContact O-OG1 2.94Å
121	S	37.2	Very low	34.3	Very low	88 Å²	88	115.2 Å²	115.2	62%	0.615	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-14.3	-179.1	56	0	0	0	0	115	L119	L119-S121 PolarHBondContact O-N 3.49Å; L119-S121 VanDerWaalsContact O-N 3.1Å
122	L	36	Very low	34.5	Very low	76 Å²	76	108 Å²	108	40%	0.398	62%	0.619	S	S	.	*	S	Bend	trans	-91.4	-15.9	-173.1	-82.1	148.5	0	0	0	114.1	L119 Q125 I126	L119-L122 PolarHBondContact O-N 3.37Å; L122-Q125 PolarHBondContact O-N 3.24Å; L122-I126 HydrophobicContact CB-CD1 4.44Å; L122-I126 WeakPolarHBondContact O-CG1 3.36Å; L122-I126 PolarHBondContact O-N 3.45Å
123	T	33.9	Very low	34.6	Very low	93 Å²	93	108.9 Å²	108.9	57%	0.571	62%	0.617	S	S	*	*	H	α-helix	trans	-52	-45.7	-177.5	-12.1	0	0	0	0	115.4	S120 S127	S120-T123 PolarHBondContact O-OG1 2.94Å; T123-S127 PolarHBondContact O-N 2.94Å
124	P	39.7	Very low	34.8	Very low	85 Å²	85	108.1 Å²	108.1	55%	0.552	61%	0.612	S	S	*	*	H	α-helix	trans	-69.9	-35.1	-178.8	25.7	-32.8	0	0	0	113.1	I126 S127 E128	P124-I126 VanDerWaalsContact C-N 3.34Å; P124-I126 PolarHBondContact O-N 3.42Å; P124-S127 WeakPolarHBondContact O-CB 3.25Å; P124-S127 PolarHBondContact O-N 2.88Å; P124-E128 PolarHBondContact O-N 3.41Å; P124-E128 VanDerWaalsContact O-N 3.1Å
125	Q	39	Very low	34.9	Very low	128 Å²	128	103.2 Å²	103.2	60%	0.598	60%	0.603	S	S	*	*	H	α-helix	trans	-67.6	-35	179.7	-66.3	-179.4	-15.5	0	0	112	L122 A129	L122-Q125 PolarHBondContact O-N 3.24Å; Q125-A129 PolarHBondContact O-N 2.78Å; Q125-A129 VanDerWaalsContact O-N 3.12Å
126	I	37.7	Very low	35.2	Very low	81 Å²	81	98 Å²	98	42%	0.415	58%	0.584	S	S	.	*	H	α-helix	trans	-67	-40.3	175	-64.5	167.1	0	0	0	110.7	L122 P124 A129 L130	L122-I126 HydrophobicContact CB-CD1 4.44Å; L122-I126 WeakPolarHBondContact O-CG1 3.36Å; L122-I126 PolarHBondContact O-N 3.45Å; P124-I126 VanDerWaalsContact C-N 3.34Å; P124-I126 PolarHBondContact O-N 3.42Å; I126-A129 PolarHBondContact O-N 2.81Å; I126-L130 HydrophobicContact CG2-CD1 3.94Å; I126-L130 WeakPolarHBondContact O-CB 3.41Å; I126-L130 VanDerWaalsContact O-CG 3.3Å; I126-L130 WeakPolarHBondContact O-CG 3.37Å; I126-L130 PolarHBondContact O-N 3.44Å
127	S	37.2	Very low	35.3	Very low	78 Å²	78	94.5 Å²	94.5	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-62.9	-42.8	176.4	-170.1	0	0	0	0	112.2	T123 P124 L130 S131	T123-S127 PolarHBondContact O-N 2.94Å; P124-S127 WeakPolarHBondContact O-CB 3.25Å; P124-S127 PolarHBondContact O-N 2.88Å; S127-L130 PolarHBondContact O-N 3.39Å; S127-S131 PolarHBondContact O-N 2.92Å
128	E	38.6	Very low	35.4	Very low	145 Å²	145	93.8 Å²	93.8	68%	0.678	57%	0.568	S	S	*	*	H	α-helix	trans	-66.2	-43.2	179.5	-162.1	168	-146.2	0	0	111.6	P124 L130 S131 A132	P124-E128 PolarHBondContact O-N 3.41Å; P124-E128 VanDerWaalsContact O-N 3.1Å; E128-L130 PolarHBondContact O-N 3.46Å; E128-S131 PolarHBondContact O-N 3.09Å; E128-S131 PolarHBondContact O-OG 2.78Å; E128-A132 PolarHBondContact O-N 2.88Å; E128-A132 VanDerWaalsContact O-N 3.16Å
129	A	37.1	Very low	35.6	Very low	58 Å²	58	91 Å²	91	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-39.4	174.3	0	0	0	0	0	113	Q125 I126 A132 L133	Q125-A129 PolarHBondContact O-N 2.78Å; Q125-A129 VanDerWaalsContact O-N 3.12Å; I126-A129 PolarHBondContact O-N 2.81Å; A129-A132 PolarHBondContact O-N 3.34Å; A129-L133 PolarHBondContact O-N 2.96Å
130	L	35.6	Very low	35.7	Very low	60 Å²	60	90.8 Å²	90.8	31%	0.314	56%	0.558	S	S	.	*	H	α-helix	trans	-66	-36.6	173.7	-74.9	168.2	0	0	0	112.1	I126 S127 E128 L133	I126-L130 HydrophobicContact CG2-CD1 3.94Å; I126-L130 WeakPolarHBondContact O-CB 3.41Å; I126-L130 VanDerWaalsContact O-CG 3.3Å; I126-L130 WeakPolarHBondContact O-CG 3.37Å; I126-L130 PolarHBondContact O-N 3.44Å; S127-L130 PolarHBondContact O-N 3.39Å; E128-L130 PolarHBondContact O-N 3.46Å; L130-L133 PolarHBondContact O-N 3.15Å
131	S	37.4	Very low	35.8	Very low	68 Å²	68	93.4 Å²	93.4	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-63.8	-40.5	176	82.3	0	0	0	0	112.4	S127 E128 L133 T134	S127-S131 PolarHBondContact O-N 2.92Å; E128-S131 PolarHBondContact O-N 3.09Å; E128-S131 PolarHBondContact O-OG 2.78Å; S131-L133 VanDerWaalsContact C-N 3.27Å; S131-L133 PolarHBondContact O-N 3.17Å; S131-T134 WeakPolarHBondContact O-CB 3.34Å; S131-T134 PolarHBondContact O-N 2.84Å; S131-T134 VanDerWaalsContact O-N 3.14Å; S131-T134 PolarHBondContact O-OG1 2.91Å
132	A	39.4	Very low	35.7	Very low	76 Å²	76	93.3 Å²	93.3	63%	0.628	56%	0.557	S	S	*	*	H	α-helix	trans	-65.4	-27.7	-179.3	0	0	0	0	0	113.4	E128 A129 T134	E128-A132 PolarHBondContact O-N 2.88Å; E128-A132 VanDerWaalsContact O-N 3.16Å; A129-A132 PolarHBondContact O-N 3.34Å; A132-T134 VanDerWaalsContact C-N 3.26Å; A132-T134 PolarHBondContact O-N 2.82Å
133	L	34.8	Very low	35.5	Very low	108 Å²	108	94.1 Å²	94.1	57%	0.565	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-71.3	-16.9	176.7	-74.5	163.5	0	0	0	113.6	A129 L130 S131 G135	A129-L133 PolarHBondContact O-N 2.96Å; L130-L133 PolarHBondContact O-N 3.15Å; S131-L133 VanDerWaalsContact C-N 3.27Å; S131-L133 PolarHBondContact O-N 3.17Å; L133-G135 VanDerWaalsContact C-N 3.33Å; L133-G135 PolarHBondContact O-N 3.45Å
134	T	34.5	Very low	35.4	Very low	96 Å²	96	96 Å²	96	59%	0.589	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-73.7	-20.2	-176.3	65.8	0	0	0	0	114.3	S131 A132 L136	S131-T134 WeakPolarHBondContact O-CB 3.34Å; S131-T134 PolarHBondContact O-N 2.84Å; S131-T134 VanDerWaalsContact O-N 3.14Å; S131-T134 PolarHBondContact O-OG1 2.91Å; A132-T134 VanDerWaalsContact C-N 3.26Å; A132-T134 PolarHBondContact O-N 2.82Å; T134-L136 PolarHBondContact O-N 3.32Å
135	G	33.3	Very low	35.1	Very low	71 Å²	71	97 Å²	97	73%	0.732	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-85.9	6.5	-174.9	0	0	0	0	0	116.6	L133	L133-G135 VanDerWaalsContact C-N 3.33Å; L133-G135 PolarHBondContact O-N 3.45Å
136	L	32.9	Very low	35.2	Very low	84 Å²	84	96.7 Å²	96.7	44%	0.44	56%	0.562	S	S	.	*			trans	-94.3	133	-172.3	-75.5	162.8	0	0	0	113.6	T134 I140	T134-L136 PolarHBondContact O-N 3.32Å; L136-I140 HydrophobicContact CD2-CD1 4.1Å
137	N	29.4	Very low	35.1	Very low	121 Å²	121	97 Å²	97	65%	0.647	57%	0.567	S	S	*	*			trans	-54.2	148.6	-172.9	-105.8	-17.9	0	0	0	114.6	S139 I140	N137-S139 PolarHBondContact O-N 3.45Å; N137-I140 PolarHBondContact O-N 2.89Å
138	T	34.1	Very low	35	Very low	116 Å²	116	97.9 Å²	97.9	71%	0.712	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-21.4	-175.9	48	0	0	0	0	115.5	I140	T138-I140 VanDerWaalsContact C-N 3.35Å; T138-I140 PolarHBondContact O-N 3.09Å
139	S	34.2	Very low	35.1	Very low	90 Å²	90	92.7 Å²	92.7	63%	0.629	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.8	176.9	55.5	0	0	0	0	114.7	N137	N137-S139 PolarHBondContact O-N 3.45Å
140	I	35.8	Very low	35.6	Very low	81 Å²	81	93.9 Å²	93.9	42%	0.415	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-81.8	-25	-179	-62.2	173.1	0	0	0	111.3	L136 N137 T138 A142 N143	L136-I140 HydrophobicContact CD2-CD1 4.1Å; N137-I140 PolarHBondContact O-N 2.89Å; T138-I140 VanDerWaalsContact C-N 3.35Å; T138-I140 PolarHBondContact O-N 3.09Å; I140-A142 PolarHBondContact O-N 3.01Å; I140-N143 PolarHBondContact O-N 3.48Å
141	R	34	Very low	35.9	Very low	159 Å²	159	93.4 Å²	93.4	60%	0.6	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-67.6	-1	177.9	-62.3	-175.3	-175.4	-178.8	-0.2	114.4
142	A	35.3	Very low	36.2	Very low	86 Å²	86	93.8 Å²	93.8	71%	0.711	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-109.5	-2.1	-178.3	0	0	0	0	0	114.4	I140	I140-A142 PolarHBondContact O-N 3.01Å
143	N	31.6	Very low	36.4	Very low	93 Å²	93	94.7 Å²	94.7	50%	0.497	53%	0.528	S	S	.	.			trans	-87.5	136.2	179.2	-104.7	26.4	0	0	0	112.1	I140 D145 W146	I140-N143 PolarHBondContact O-N 3.48Å; N143-D145 PolarHBondContact ND2-OD2 2.73Å; N143-D145 PolarHBondContact O-N 2.99Å; N143-W146 WeakPolarHBondContact O-CB 3.2Å; N143-W146 PolarHBondContact O-N 2.8Å; N143-W146 VanDerWaalsContact O-N 3.12Å
144	L	33	Very low	37	Very low	132 Å²	132	90.5 Å²	90.5	69%	0.691	51%	0.506	S	S	*	.	H	α-helix	trans	-58.7	-30.6	177.9	-150.3	80.7	0	0	0	112.6	W146 V147 L148	L144-W146 PolarHBondContact O-N 3.32Å; L144-V147 WeakPolarHBondContact O-CB 3.38Å; L144-V147 PolarHBondContact O-N 2.84Å; L144-L148 PolarHBondContact O-N 3.14Å; L144-L148 VanDerWaalsContact O-N 3.09Å
145	D	32.9	Very low	37.3	Very low	105 Å²	105	90.6 Å²	90.6	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-57.9	-32.3	178	-44.3	-46	0	0	0	112.6	N143 A149	N143-D145 PolarHBondContact ND2-OD2 2.73Å; N143-D145 PolarHBondContact O-N 2.99Å; D145-A149 WeakPolarHBondContact O-CB 3.44Å; D145-A149 PolarHBondContact O-N 3.32Å
146	W	40	Very low	37.7	Very low	123 Å²	123	89.1 Å²	89.1	47%	0.466	48%	0.476	S	S	.	.	H	α-helix	trans	-71.4	-32.3	177	-171.1	80.1	0	0	0	112	N143 L144 W150	N143-W146 WeakPolarHBondContact O-CB 3.2Å; N143-W146 PolarHBondContact O-N 2.8Å; N143-W146 VanDerWaalsContact O-N 3.12Å; L144-W146 PolarHBondContact O-N 3.32Å; W146-W150 AromaticContact CE2-CD1 3.73Å; W146-W150 AromaticContact CE2-NE1 3.62Å; W146-W150 AromaticContact CH2-NE1 3.89Å; W146-W150 AromaticContact CZ2-CD1 3.83Å; W146-W150 AromaticContact CZ2-NE1 3.37Å; W146-W150 AromaticContact NE1-NE1 3.99Å; W146-W150 PolarHBondContact O-N 3.32Å
147	V	36.6	Very low	38.3	Very low	88 Å²	88	85.2 Å²	85.2	53%	0.533	46%	0.456	S	S	.	.	H	α-helix	trans	-74.6	-39.7	177.4	-178.5	0	0	0	0	110.7	L144 W150 S151	L144-V147 WeakPolarHBondContact O-CB 3.38Å; L144-V147 PolarHBondContact O-N 2.84Å; V147-W150 PolarHBondContact O-N 3.46Å; V147-S151 PolarHBondContact O-N 3.18Å
148	L	35.7	Very low	38.9	Very low	95 Å²	95	85.4 Å²	85.4	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-66.5	-43.1	175.2	-67.8	167.5	0	0	0	111.7	L144 W150 S151 D152	L144-L148 PolarHBondContact O-N 3.14Å; L144-L148 VanDerWaalsContact O-N 3.09Å; L148-W150 PolarHBondContact O-N 3.18Å; L148-S151 PolarHBondContact O-N 3.08Å; L148-S151 VanDerWaalsContact O-N 3.17Å; L148-S151 PolarHBondContact O-OG 2.96Å; L148-D152 PolarHBondContact O-N 3.21Å; L148-D152 VanDerWaalsContact O-N 3.13Å
149	A	39.4	Very low	39.2	Very low	36 Å²	36	85.7 Å²	85.7	30%	0.298	44%	0.441	S	S	.	.	H	α-helix	trans	-60.5	-32.8	173.7	0	0	0	0	0	112.8	F66 D145 F153	F66-A149 HydrophobicContact CZ-CB 4.13Å; D145-A149 WeakPolarHBondContact O-CB 3.44Å; D145-A149 PolarHBondContact O-N 3.32Å; A149-F153 WeakPolarHBondContact O-CB 3.33Å; A149-F153 PolarHBondContact O-N 3.44Å; A149-F153 VanDerWaalsContact O-N 3.16Å
150	W	47.2	Very low	39.4	Very low	83 Å²	83	87.1 Å²	87.1	31%	0.314	44%	0.436	S	S	.	.	H	α-helix	trans	-76.2	-32.6	174.4	-96.9	91.2	0	0	0	113.8	W146 V147 L148 F153 L154	W146-W150 AromaticContact CE2-CD1 3.73Å; W146-W150 AromaticContact CE2-NE1 3.62Å; W146-W150 AromaticContact CH2-NE1 3.89Å; W146-W150 AromaticContact CZ2-CD1 3.83Å; W146-W150 AromaticContact CZ2-NE1 3.37Å; W146-W150 AromaticContact NE1-NE1 3.99Å; W146-W150 PolarHBondContact O-N 3.32Å; V147-W150 PolarHBondContact O-N 3.46Å; L148-W150 PolarHBondContact O-N 3.18Å; W150-F153 HydrophobicContact CE3-CD1 4.24Å; W150-F153 HydrophobicContact CZ3-CD1 4.23Å; W150-F153 HydrophobicContact CZ3-CE1 4.44Å; W150-L154 HydrophobicContact CE3-CD1 4.33Å; W150-L154 HydrophobicContact CE3-CG 4.23Å; W150-L154 WeakPolarHBondContact O-CB 3.47Å; W150-L154 VanDerWaalsContact O-CG 3.28Å; W150-L154 WeakPolarHBondContact O-CG 3.27Å; W150-L154 PolarHBondContact O-N 3.1Å
151	S	43.5	Very low	39.5	Very low	51 Å²	51	90.4 Å²	90.4	36%	0.357	46%	0.455	S	S	.	.	H	α-helix	trans	-64.9	-43	173.4	55.8	0	0	0	0	111.5	V147 L148 L154 E155	V147-S151 PolarHBondContact O-N 3.18Å; L148-S151 PolarHBondContact O-N 3.08Å; L148-S151 VanDerWaalsContact O-N 3.17Å; L148-S151 PolarHBondContact O-OG 2.96Å; S151-L154 PolarHBondContact O-N 3.07Å; S151-E155 PolarHBondContact O-N 3.08Å
152	D	42.1	Very low	40.1	Very low	75 Å²	75	85.1 Å²	85.1	40%	0.401	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-40.6	178.9	-63.3	-2.9	0	0	0	110.9	L148 E155 V156	L148-D152 PolarHBondContact O-N 3.21Å; L148-D152 VanDerWaalsContact O-N 3.13Å; D152-E155 PolarHBondContact O-N 2.82Å; D152-V156 WeakPolarHBondContact O-CG2 3.33Å; D152-V156 PolarHBondContact O-N 3.31Å; D152-V156 VanDerWaalsContact O-N 3.09Å
153	F	45.2	Very low	40.6	Very low	96 Å²	96	84.7 Å²	84.7	42%	0.421	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-41.1	174.3	-178.9	-101.1	0	0	0	112.9	A149 W150 V156 A157 V166	A149-F153 WeakPolarHBondContact O-CB 3.33Å; A149-F153 PolarHBondContact O-N 3.44Å; A149-F153 VanDerWaalsContact O-N 3.16Å; W150-F153 HydrophobicContact CE3-CD1 4.24Å; W150-F153 HydrophobicContact CZ3-CD1 4.23Å; W150-F153 HydrophobicContact CZ3-CE1 4.44Å; F153-V156 PolarHBondContact O-N 3.19Å; F153-A157 WeakPolarHBondContact O-CB 3.44Å; F153-A157 PolarHBondContact O-N 3.1Å; F153-V166 HydrophobicContact CE1-CG1 4.16Å; F153-V166 HydrophobicContact CE1-CG2 4.12Å; F153-V166 HydrophobicContact CZ-CG2 4.39Å
154	L	46.1	Very low	41.1	Very low	20 Å²	20	89.2 Å²	89.2	11%	0.105	43%	0.43	C	S	.	.	H	α-helix	trans	-68.9	-35	177.7	-74.8	168.9	0	0	0	112.4	W150 S151 A157 Y158 V166 L183	W150-L154 HydrophobicContact CE3-CD1 4.33Å; W150-L154 HydrophobicContact CE3-CG 4.23Å; W150-L154 WeakPolarHBondContact O-CB 3.47Å; W150-L154 VanDerWaalsContact O-CG 3.28Å; W150-L154 WeakPolarHBondContact O-CG 3.27Å; W150-L154 PolarHBondContact O-N 3.1Å; S151-L154 PolarHBondContact O-N 3.07Å; L154-A157 PolarHBondContact O-N 2.94Å; L154-Y158 WeakPolarHBondContact O-CB 3.42Å; L154-Y158 PolarHBondContact O-N 2.6Å; L154-V166 HydrophobicContact CD2-CG1 4.22Å; L154-L183 HydrophobicContact CD1-CD1 4.46Å; L154-L183 HydrophobicContact CD1-CD2 3.81Å
155	E	42.1	Very low	41.8	Very low	97 Å²	97	89 Å²	89	45%	0.453	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-37.9	174.4	-154.6	-157.1	-171.4	0	0	111.7	K73 S151 D152 H159	K73-E155 IonicContact NZ-OE1 2.89Å; K73-E155 PolarHBondContact NZ-OE1 2.94Å; K73-E155 IonicContact NZ-OE2 3.66Å; K73-E155 PolarHBondContact NZ-OE2 3.27Å; S151-E155 PolarHBondContact O-N 3.08Å; D152-E155 PolarHBondContact O-N 2.82Å; E155-H159 PolarHBondContact O-CD2 3.32Å; E155-H159 PolarHBondContact O-N 3.13Å
156	V	41.9	Very low	42.5	Very low	40 Å²	40	85.1 Å²	85.1	24%	0.242	41%	0.406	C	S	.	.	H	α-helix	trans	-66.5	-46.2	171.1	170.4	0	0	0	0	111.3	Y69 D152 F153 Y158 H159 F160	Y69-V156 HydrophobicContact CE1-CG1 4.01Å; Y69-V156 HydrophobicContact CE1-CG2 4.41Å; D152-V156 WeakPolarHBondContact O-CG2 3.33Å; D152-V156 PolarHBondContact O-N 3.31Å; D152-V156 VanDerWaalsContact O-N 3.09Å; F153-V156 PolarHBondContact O-N 3.19Å; V156-Y158 PolarHBondContact O-N 3.26Å; V156-H159 PolarHBondContact O-N 3.49Å; V156-H159 VanDerWaalsContact O-N 3.12Å; V156-F160 HydrophobicContact CG1-CD2 4Å; V156-F160 HydrophobicContact CG1-CE2 4.29Å; V156-F160 WeakPolarHBondContact O-CD2 3.3Å; V156-F160 PolarHBondContact O-N 3.48Å
157	A	45.1	Very low	42.9	Very low	2 Å²	2	82.8 Å²	82.8	2%	0.017	40%	0.401	C	S	.	.	H	α-helix	trans	-62.6	-31.3	179.3	0	0	0	0	0	112.9	F153 L154 L162 F163 V166	F153-A157 WeakPolarHBondContact O-CB 3.44Å; F153-A157 PolarHBondContact O-N 3.1Å; L154-A157 PolarHBondContact O-N 2.94Å; A157-L162 HydrophobicContact CB-CB 4.37Å; A157-L162 PolarHBondContact O-N 3.2Å; A157-F163 PolarHBondContact O-N 2.7Å; A157-V166 HydrophobicContact CB-CG2 3.97Å
158	Y	41.8	Very low	43.5	Very low	126 Å²	126	82 Å²	82	49%	0.494	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-47.7	171.1	179.8	-101.8	0	0	0	112	L154 V156 F160 N161	L154-Y158 WeakPolarHBondContact O-CB 3.42Å; L154-Y158 PolarHBondContact O-N 2.6Å; V156-Y158 PolarHBondContact O-N 3.26Å; Y158-F160 VanDerWaalsContact C-N 3.3Å; Y158-F160 PolarHBondContact O-N 3Å; Y158-N161 PolarHBondContact O-N 2.89Å
159	H	40	Very low	43.9	Very low	121 Å²	121	79 Å²	79	56%	0.56	38%	0.383	S	S	*	.	H	α-helix	trans	-64.4	-29.1	-179.8	-89	-58	0	0	0	114.5	E155 V156	E155-H159 PolarHBondContact O-CD2 3.32Å; E155-H159 PolarHBondContact O-N 3.13Å; V156-H159 PolarHBondContact O-N 3.49Å; V156-H159 VanDerWaalsContact O-N 3.12Å
160	F	37.6	Very low	44.3	Very low	120 Å²	120	81.5 Å²	81.5	53%	0.526	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	12.4	-178	-76.8	-80.3	0	0	0	114.7	V156 Y158 L162	V156-F160 HydrophobicContact CG1-CD2 4Å; V156-F160 HydrophobicContact CG1-CE2 4.29Å; V156-F160 WeakPolarHBondContact O-CD2 3.3Å; V156-F160 PolarHBondContact O-N 3.48Å; Y158-F160 VanDerWaalsContact C-N 3.3Å; Y158-F160 PolarHBondContact O-N 3Å; F160-L162 HydrophobicContact CB-CD1 3.82Å; F160-L162 HydrophobicContact CB-CG 4.1Å; F160-L162 PolarHBondContact O-N 3.11Å
161	N	38.1	Very low	44.2	Very low	150 Å²	150	85 Å²	85	80%	0.802	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	15.6	-173.3	-78.1	-32	0	0	0	114.7	Y158 F163	Y158-N161 PolarHBondContact O-N 2.89Å; N161-F163 VanDerWaalsContact C-N 3.26Å; N161-F163 PolarHBondContact O-N 3.36Å
162	L	46.6	Very low	44.3	Very low	49 Å²	49	89 Å²	89	26%	0.257	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.6	180	-75.3	166.1	0	0	0	113	L119 A157 F160 R164 H165 V166	L119-L162 HydrophobicContact CD2-CD1 4.38Å; L119-L162 HydrophobicContact CD2-CD2 4.29Å; A157-L162 HydrophobicContact CB-CB 4.37Å; A157-L162 PolarHBondContact O-N 3.2Å; F160-L162 HydrophobicContact CB-CD1 3.82Å; F160-L162 HydrophobicContact CB-CG 4.1Å; F160-L162 PolarHBondContact O-N 3.11Å; L162-R164 PolarHBondContact O-N 3.19Å; L162-H165 PolarHBondContact O-N 3.11Å; L162-V166 PolarHBondContact O-N 3.08Å
163	F	46	Very low	44.2	Very low	76 Å²	76	90.1 Å²	90.1	33%	0.333	43%	0.426	S	S	.	.	H	α-helix	trans	-47.4	-38.7	-177.6	-164.1	-94	0	0	0	113.8	A157 N161 V166 M167 L187	A157-F163 PolarHBondContact O-N 2.7Å; N161-F163 VanDerWaalsContact C-N 3.26Å; N161-F163 PolarHBondContact O-N 3.36Å; F163-V166 PolarHBondContact O-N 2.97Å; F163-M167 HydrophobicContact CD1-CG 3.96Å; F163-M167 HydrophobicContact CE1-CG 3.72Å; F163-M167 HydrophobicContact CE1-SD 4.24Å; F163-M167 HydrophobicContact CZ-CG 4.21Å; F163-M167 HydrophobicContact CZ-SD 4.21Å; F163-M167 WeakPolarHBondContact O-CB 3.43Å; F163-M167 VanDerWaalsContact O-CG 3.23Å; F163-M167 WeakPolarHBondContact O-CG 3.37Å; F163-M167 PolarHBondContact O-N 2.93Å; F163-L187 HydrophobicContact CE2-CD1 4.31Å; F163-L187 HydrophobicContact CZ-CD1 4.35Å
164	R	43.5	Very low	43.9	Very low	188 Å²	188	89.4 Å²	89.4	71%	0.709	43%	0.426	S	S	*	.	H	α-helix	trans	-62.8	-49.6	177.1	-169.3	175.1	-172	162.2	4	112.3	L162 V166 M167 D168	L162-R164 PolarHBondContact O-N 3.19Å; R164-V166 VanDerWaalsContact C-N 3.33Å; R164-V166 PolarHBondContact O-N 3.37Å; R164-M167 PolarHBondContact O-N 3.29Å; R164-D168 WeakPolarHBondContact O-CB 3.41Å; R164-D168 PolarHBondContact O-N 3.16Å
165	H	47.4	Very low	43.4	Very low	128 Å²	128	96.8 Å²	96.8	59%	0.593	46%	0.46	S	S	*	.	H	α-helix	trans	-67.8	-31.5	179	-67	-54.2	0	0	0	113	L162 A169	L162-H165 PolarHBondContact O-N 3.11Å; H165-A169 VanDerWaalsContact O-CB 3.25Å; H165-A169 WeakPolarHBondContact O-CB 3.41Å; H165-A169 PolarHBondContact O-N 3.41Å
166	V	47.8	Very low	43.1	Very low	24 Å²	24	99.3 Å²	99.3	15%	0.145	48%	0.477	C	S	.	.	H	α-helix	trans	-67.5	-41.6	173.7	175.2	0	0	0	0	111.1	F153 L154 A157 L162 F163 R164 W170	F153-V166 HydrophobicContact CE1-CG1 4.16Å; F153-V166 HydrophobicContact CE1-CG2 4.12Å; F153-V166 HydrophobicContact CZ-CG2 4.39Å; L154-V166 HydrophobicContact CD2-CG1 4.22Å; A157-V166 HydrophobicContact CB-CG2 3.97Å; L162-V166 PolarHBondContact O-N 3.08Å; F163-V166 PolarHBondContact O-N 2.97Å; R164-V166 VanDerWaalsContact C-N 3.33Å; R164-V166 PolarHBondContact O-N 3.37Å; V166-W170 VanDerWaalsContact O-CB 3.28Å; V166-W170 WeakPolarHBondContact O-CB 3.45Å; V166-W170 PolarHBondContact O-N 2.93Å
167	M	48.5	Very low	42.7	Very low	73 Å²	73	102 Å²	102	36%	0.36	49%	0.49	S	S	.	.	H	α-helix	trans	-69.4	-44.3	176.5	-67.7	-65.4	-66.2	0	0	112.2	F163 R164 A169 W170 E171	F163-M167 HydrophobicContact CD1-CG 3.96Å; F163-M167 HydrophobicContact CE1-CG 3.72Å; F163-M167 HydrophobicContact CE1-SD 4.24Å; F163-M167 HydrophobicContact CZ-CG 4.21Å; F163-M167 HydrophobicContact CZ-SD 4.21Å; F163-M167 WeakPolarHBondContact O-CB 3.43Å; F163-M167 VanDerWaalsContact O-CG 3.23Å; F163-M167 WeakPolarHBondContact O-CG 3.37Å; F163-M167 PolarHBondContact O-N 2.93Å; R164-M167 PolarHBondContact O-N 3.29Å; M167-A169 VanDerWaalsContact C-N 3.31Å; M167-A169 PolarHBondContact O-N 2.98Å; M167-W170 HydrophobicContact CE-CE3 3.77Å; M167-W170 HydrophobicContact CE-CZ3 3.68Å; M167-W170 PolarHBondContact O-N 2.87Å; M167-W170 VanDerWaalsContact O-N 3.17Å; M167-W170 HydrophobicContact SD-CE3 3.97Å; M167-W170 HydrophobicContact SD-CZ3 4.25Å; M167-E171 PolarHBondContact O-N 3.13Å
168	D	48.5	Very low	42.3	Very low	73 Å²	73	107.4 Å²	107.4	39%	0.39	52%	0.524	S	S	.	.	H	α-helix	trans	-60.2	-41	176.4	-63.9	-21.4	0	0	0	111	R164 I172	R164-D168 WeakPolarHBondContact O-CB 3.41Å; R164-D168 PolarHBondContact O-N 3.16Å; D168-I172 WeakPolarHBondContact O-CD1 3.39Å; D168-I172 WeakPolarHBondContact O-CG1 3.25Å; D168-I172 PolarHBondContact O-N 3.39Å
169	A	44.8	Very low	42.2	Very low	31 Å²	31	105.2 Å²	105.2	26%	0.256	52%	0.524	S	S	.	.	H	α-helix	trans	-68.9	-36.8	175.2	0	0	0	0	0	112.8	H165 M167 I172 L173	H165-A169 VanDerWaalsContact O-CB 3.25Å; H165-A169 WeakPolarHBondContact O-CB 3.41Å; H165-A169 PolarHBondContact O-N 3.41Å; M167-A169 VanDerWaalsContact C-N 3.31Å; M167-A169 PolarHBondContact O-N 2.98Å; A169-I172 PolarHBondContact O-N 3.16Å; A169-L173 WeakPolarHBondContact O-CB 3.11Å; A169-L173 WeakPolarHBondContact O-CD1 3.28Å; A169-L173 WeakPolarHBondContact O-CG 2.89Å; A169-L173 PolarHBondContact O-N 3.11Å; A169-L173 VanDerWaalsContact O-N 3.1Å
170	W	47.4	Very low	41.9	Very low	89 Å²	89	102.3 Å²	102.3	34%	0.337	52%	0.515	S	S	.	.	H	α-helix	trans	-67.1	-39.5	178.4	-179	59	0	0	0	112.4	V166 M167 I172 L173 N174 P180	V166-W170 VanDerWaalsContact O-CB 3.28Å; V166-W170 WeakPolarHBondContact O-CB 3.45Å; V166-W170 PolarHBondContact O-N 2.93Å; M167-W170 HydrophobicContact CE-CE3 3.77Å; M167-W170 HydrophobicContact CE-CZ3 3.68Å; M167-W170 PolarHBondContact O-N 2.87Å; M167-W170 VanDerWaalsContact O-N 3.17Å; M167-W170 HydrophobicContact SD-CE3 3.97Å; M167-W170 HydrophobicContact SD-CZ3 4.25Å; W170-I172 VanDerWaalsContact C-N 3.26Å; W170-I172 PolarHBondContact O-N 2.69Å; W170-L173 PolarHBondContact O-N 2.82Å; W170-N174 PolarHBondContact O-N 3.16Å; W170-P180 HydrophobicContact CH2-CB 3.97Å; W170-P180 HydrophobicContact CH2-CG 3.72Å; W170-P180 HydrophobicContact CZ2-CG 4.07Å
171	E	44.3	Very low	41.8	Very low	155 Å²	155	98.8 Å²	98.8	72%	0.724	51%	0.509	S	S	*	.	H	α-helix	trans	-66.6	-27.2	177.3	-157.3	169.5	-141	0	0	112.4	M167	M167-E171 PolarHBondContact O-N 3.13Å
172	I	46.6	Very low	41.5	Very low	137 Å²	137	99.4 Å²	99.4	70%	0.703	51%	0.509	S	S	*	.	H	α-helix	trans	-79.8	-32.7	172.8	-65.3	166.7	0	0	0	112.1	D168 A169 W170	D168-I172 WeakPolarHBondContact O-CD1 3.39Å; D168-I172 WeakPolarHBondContact O-CG1 3.25Å; D168-I172 PolarHBondContact O-N 3.39Å; A169-I172 PolarHBondContact O-N 3.16Å; W170-I172 VanDerWaalsContact C-N 3.26Å; W170-I172 PolarHBondContact O-N 2.69Å
173	L	38.5	Very low	41	Very low	98 Å²	98	100.2 Å²	100.2	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-95.4	-19.2	-167.5	-79.5	165.7	0	0	0	116.3	A169 W170	A169-L173 WeakPolarHBondContact O-CB 3.11Å; A169-L173 WeakPolarHBondContact O-CD1 3.28Å; A169-L173 WeakPolarHBondContact O-CG 2.89Å; A169-L173 PolarHBondContact O-N 3.11Å; A169-L173 VanDerWaalsContact O-N 3.1Å; W170-L173 PolarHBondContact O-N 2.82Å
174	N	38.7	Very low	40.5	Very low	81 Å²	81	99 Å²	99	43%	0.433	52%	0.517	S	S	.	.			trans	-139.7	93	-176.1	-73.5	-76	0	0	0	113.5	W170	W170-N174 PolarHBondContact O-N 3.16Å
175	Q	35.8	Very low	40.1	Very low	174 Å²	174	94 Å²	94	81%	0.813	51%	0.507	S	S	*	.	S	Bend	trans	-83.2	-8.8	175.5	-65.7	-174.7	-8.7	0	0	114.2
176	D	37.1	Very low	39.4	Very low	150 Å²	150	95.8 Å²	95.8	80%	0.802	51%	0.514	S	S	*	.	S	Bend	trans	-126.9	17.2	-162	-68.8	-50.5	0	0	0	117.3
177	L	33.6	Very low	38.8	Very low	98 Å²	98	97.6 Å²	97.6	51%	0.513	52%	0.522	S	S	.	.			trans	-124.5	132.5	-178.2	-90.9	104.4	0	0	0	116.8	V179 P180	L177-V179 VanDerWaalsContact C-N 3.3Å; L177-V179 HydrophobicContact CB-CG2 4.47Å; L177-V179 HydrophobicContact CD2-CG2 4.14Å; L177-V179 PolarHBondContact O-N 3.44Å; L177-P180 WeakPolarHBondContact O-CD 3.38Å
178	P	36.6	Very low	38.2	Very low	114 Å²	114	98.6 Å²	98.6	74%	0.74	54%	0.535	S	S	*	.			trans	-86.9	24.5	-174.3	37.4	-38.6	0	0	0	115.1
179	V	39.7	Very low	37.6	Very low	80 Å²	80	98.4 Å²	98.4	49%	0.485	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.3	-14.5	-179.8	-170.8	0	0	0	0	116.5	L177 A181 L183	L177-V179 VanDerWaalsContact C-N 3.3Å; L177-V179 HydrophobicContact CB-CG2 4.47Å; L177-V179 HydrophobicContact CD2-CG2 4.14Å; L177-V179 PolarHBondContact O-N 3.44Å; V179-A181 PolarHBondContact O-N 3.23Å; V179-L183 HydrophobicContact CG1-CD1 4.42Å
180	P	32.3	Very low	37.2	Very low	60 Å²	60	102.1 Å²	102.1	39%	0.39	57%	0.57	S	S	.	*	H	α-helix	trans	-56.3	-27.4	-175	-26.2	31.8	0	0	0	116.8	W170 L177 A184	W170-P180 HydrophobicContact CH2-CB 3.97Å; W170-P180 HydrophobicContact CH2-CG 3.72Å; W170-P180 HydrophobicContact CZ2-CG 4.07Å; L177-P180 WeakPolarHBondContact O-CD 3.38Å; P180-A184 VanDerWaalsContact O-CB 3.31Å; P180-A184 WeakPolarHBondContact O-CB 3.01Å; P180-A184 PolarHBondContact O-N 3.43Å; P180-A184 VanDerWaalsContact O-N 3.15Å
181	A	35.5	Very low	36.6	Very low	47 Å²	47	99.3 Å²	99.3	39%	0.388	56%	0.564	S	S	.	*	H	α-helix	trans	-71.4	-39.4	-167.4	0	0	0	0	0	114.3	V179 T185 W210	V179-A181 PolarHBondContact O-N 3.23Å; A181-T185 PolarHBondContact O-N 2.9Å; A181-T185 PolarHBondContact O-OG1 2.85Å; A181-W210 HydrophobicContact CB-CZ2 4.29Å
182	M	33	Very low	36.3	Very low	162 Å²	162	97.6 Å²	97.6	80%	0.798	57%	0.567	S	S	*	*	H	α-helix	trans	-71.5	-42.6	178.9	-81	-178	176.6	0	0	112.1	T185 F186	M182-T185 PolarHBondContact O-N 2.63Å; M182-T185 PolarHBondContact O-OG1 2.99Å; M182-F186 PolarHBondContact O-N 2.74Å
183	L	35.4	Very low	35.6	Very low	66 Å²	66	100.2 Å²	100.2	35%	0.346	57%	0.568	S	S	.	*	H	α-helix	trans	-68.1	-38.1	179.9	-81.2	160.1	0	0	0	112.3	L154 V179 T185 F186 L187	L154-L183 HydrophobicContact CD1-CD1 4.46Å; L154-L183 HydrophobicContact CD1-CD2 3.81Å; V179-L183 HydrophobicContact CG1-CD1 4.42Å; L183-T185 VanDerWaalsContact C-N 3.32Å; L183-T185 PolarHBondContact O-N 3.19Å; L183-F186 PolarHBondContact O-N 3.47Å; L183-L187 WeakPolarHBondContact O-CB 3.36Å; L183-L187 WeakPolarHBondContact O-CG 3.33Å; L183-L187 PolarHBondContact O-N 2.75Å
184	A	35.6	Very low	35.4	Very low	50 Å²	50	98.5 Å²	98.5	41%	0.413	56%	0.559	S	S	.	*	H	α-helix	trans	-66.6	-31	176.2	0	0	0	0	0	113.3	P180 C188	P180-A184 VanDerWaalsContact O-CB 3.31Å; P180-A184 WeakPolarHBondContact O-CB 3.01Å; P180-A184 PolarHBondContact O-N 3.43Å; P180-A184 VanDerWaalsContact O-N 3.15Å; A184-C188 WeakPolarHBondContact O-CB 3.34Å; A184-C188 PolarHBondContact O-N 3.34Å; A184-C188 PolarHBondContact O-SG 2.97Å; A184-C188 VanDerWaalsContact O-SG 3.34Å
185	T	34.9	Very low	35.3	Very low	83 Å²	83	98.4 Å²	98.4	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-76.9	-36.6	174.4	27.3	0	0	0	0	112	A181 M182 L183 F1104	A181-T185 PolarHBondContact O-N 2.9Å; A181-T185 PolarHBondContact O-OG1 2.85Å; M182-T185 PolarHBondContact O-N 2.63Å; M182-T185 PolarHBondContact O-OG1 2.99Å; L183-T185 VanDerWaalsContact C-N 3.32Å; L183-T185 PolarHBondContact O-N 3.19Å; T185-F1104 HydrophobicContact CG2-CZ 4.44Å
186	F	33.3	Very low	35.2	Very low	166 Å²	166	95.7 Å²	95.7	73%	0.728	55%	0.552	S	S	*	*	H	α-helix	trans	-67.1	-40.9	177.6	-143	-94	0	0	0	112.8	M182 L183	M182-F186 PolarHBondContact O-N 2.74Å; L183-F186 PolarHBondContact O-N 3.47Å
187	L	34	Very low	35	Very low	63 Å²	63	93.6 Å²	93.6	33%	0.33	54%	0.539	S	S	.	.	H	α-helix	trans	-76.5	-25.2	-178.3	-71.3	167.7	0	0	0	114	F163 L183 L194	F163-L187 HydrophobicContact CE2-CD1 4.31Å; F163-L187 HydrophobicContact CZ-CD1 4.35Å; L183-L187 WeakPolarHBondContact O-CB 3.36Å; L183-L187 WeakPolarHBondContact O-CG 3.33Å; L183-L187 PolarHBondContact O-N 2.75Å; L187-L194 WeakPolarHBondContact O-CD1 3.5Å
188	C	36.5	Very low	35.1	Very low	93 Å²	93	91.5 Å²	91.5	63%	0.628	54%	0.536	S	S	*	.	H	α-helix	trans	-79.5	-14.6	177.9	-77	0	0	0	0	114.1	A184	A184-C188 WeakPolarHBondContact O-CB 3.34Å; A184-C188 PolarHBondContact O-N 3.34Å; A184-C188 PolarHBondContact O-SG 2.97Å; A184-C188 VanDerWaalsContact O-SG 3.34Å
189	G	36.8	Very low	34.9	Very low	69 Å²	69	94 Å²	94	71%	0.711	54%	0.538	S	S	*	.	S	Bend	trans	-87.7	-15.1	-175.6	0	0	0	0	0	115.9
190	T	36.3	Very low	34.5	Very low	109 Å²	109	97.9 Å²	97.9	67%	0.669	55%	0.548	S	S	*	.	S	Bend	trans	-107.3	-2.1	-162.9	52.6	0	0	0	0	115.6
191	S	34.6	Very low	34.5	Very low	30 Å²	30	101.5 Å²	101.5	21%	0.21	56%	0.56	C	S	.	*			trans	-149.8	121.1	-178.7	-179.9	0	0	0	0	113.9	R193 L194	S191-R193 PolarHBondContact O-N 3.46Å; S191-R193 VanDerWaalsContact O-N 3.11Å; S191-L194 PolarHBondContact O-N 3.18Å; S191-L194 VanDerWaalsContact O-N 3.16Å
192	P	36.7	Very low	34.2	Very low	120 Å²	120	104.2 Å²	104.2	78%	0.779	58%	0.576	S	S	*	*	H	α-helix	trans	-65.5	-14.7	178.8	25.6	-33.5	0	0	0	113.9
193	R	33.5	Very low	34.3	Very low	191 Å²	191	104.2 Å²	104.2	72%	0.721	57%	0.567	S	S	*	*	H	α-helix	trans	-77.3	-19.1	175.5	-81.4	-177.2	169	170.4	-1.7	114.2	S191 E196	S191-R193 PolarHBondContact O-N 3.46Å; S191-R193 VanDerWaalsContact O-N 3.11Å; R193-E196 PolarHBondContact O-N 3.4Å
194	L	34	Very low	34	Very low	63 Å²	63	108.9 Å²	108.9	33%	0.33	59%	0.587	S	S	.	*	H	α-helix	trans	-74	-29.8	175.4	-93.3	155.2	0	0	0	111.9	L187 S191 E196 I197 A198	L187-L194 WeakPolarHBondContact O-CD1 3.5Å; S191-L194 PolarHBondContact O-N 3.18Å; S191-L194 VanDerWaalsContact O-N 3.16Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 2.97Å; L194-I197 PolarHBondContact O-N 2.88Å; L194-A198 WeakPolarHBondContact O-CB 3.35Å; L194-A198 PolarHBondContact O-N 3.36Å
195	S	35.6	Very low	33.8	Very low	78 Å²	78	112.5 Å²	112.5	55%	0.545	60%	0.6	S	S	.	*	H	α-helix	trans	-58.5	-41.6	170.8	-169.6	0	0	0	0	112.3	I197 A198 E199	S195-I197 VanDerWaalsContact C-N 3.26Å; S195-I197 PolarHBondContact O-N 3Å; S195-A198 PolarHBondContact O-N 3.03Å; S195-E199 PolarHBondContact O-N 3.41Å
196	E	33.8	Very low	33.6	Very low	118 Å²	118	112.8 Å²	112.8	55%	0.551	60%	0.597	S	S	*	*	H	α-helix	trans	-72.3	-18.5	-178.4	-159.2	-179.5	-171.1	0	0	113.2	R193 L194	R193-E196 PolarHBondContact O-N 3.4Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 2.97Å
197	I	33.7	Very low	33.4	Very low	105 Å²	105	107.5 Å²	107.5	54%	0.538	58%	0.584	S	S	.	*	H	α-helix	trans	-89.3	-35.9	172.3	-62.3	171.1	0	0	0	110.3	L194 S195 E199 K200	L194-I197 PolarHBondContact O-N 2.88Å; S195-I197 VanDerWaalsContact C-N 3.26Å; S195-I197 PolarHBondContact O-N 3Å; I197-E199 VanDerWaalsContact C-N 3.31Å; I197-E199 PolarHBondContact O-N 3Å; I197-K200 PolarHBondContact O-N 2.77Å; I197-K200 VanDerWaalsContact O-N 3.12Å
198	A	35.2	Very low	33.2	Very low	54 Å²	54	107.7 Å²	107.7	45%	0.446	59%	0.591	S	S	.	*	H	α-helix	trans	-62.8	-33.8	176.9	0	0	0	0	0	113	L194 S195 K200	L194-A198 WeakPolarHBondContact O-CB 3.35Å; L194-A198 PolarHBondContact O-N 3.36Å; S195-A198 PolarHBondContact O-N 3.03Å; A198-K200 VanDerWaalsContact C-N 3.26Å; A198-K200 PolarHBondContact O-N 3.25Å
199	E	31.9	Very low	32.9	Very low	168 Å²	168	110.7 Å²	110.7	79%	0.785	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-18.9	174.3	-71.8	-171.3	149.4	0	0	114.2	S195 I197	S195-E199 PolarHBondContact O-N 3.41Å; I197-E199 VanDerWaalsContact C-N 3.31Å; I197-E199 PolarHBondContact O-N 3Å
200	K	31.7	Very low	32.6	Very low	160 Å²	160	114.2 Å²	114.2	70%	0.696	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-12	-176.5	-75.6	177.1	-179.6	162.8	0	115	I197 A198	I197-K200 PolarHBondContact O-N 2.77Å; I197-K200 VanDerWaalsContact O-N 3.12Å; A198-K200 VanDerWaalsContact C-N 3.26Å; A198-K200 PolarHBondContact O-N 3.25Å
201	H	32.1	Very low	32.2	Very low	137 Å²	137	119.4 Å²	119.4	63%	0.634	59%	0.592	S	S	*	*	S	Bend	trans	-126.4	130.4	179.6	-76	-72.7	0	0	0	112.1	W203	H201-W203 PolarHBondContact O-N 3.27Å
202	S	29.6	Very low	32	Very low	103 Å²	103	126 Å²	126	72%	0.72	62%	0.617	S	S	*	*			trans	-78.3	83.3	-167.8	42.8	0	0	0	0	114.1	Q204	S202-Q204 PolarHBondContact O-N 2.96Å
203	W	34.5	Very low	31.6	Very low	163 Å²	163	127.2 Å²	127.2	62%	0.617	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-6.9	177.1	-86.7	76.8	0	0	0	116.2	H201 N205 L206 A207	H201-W203 PolarHBondContact O-N 3.27Å; W203-N205 PolarHBondContact O-N 3.08Å; W203-N205 VanDerWaalsContact O-N 3.16Å; W203-L206 HydrophobicContact CE3-CB 4.2Å; W203-L206 HydrophobicContact CE3-CD1 4.29Å; W203-L206 HydrophobicContact CZ3-CD1 4.36Å; W203-L206 PolarHBondContact O-N 2.9Å; W203-A207 PolarHBondContact O-N 2.8Å
204	Q	29.6	Very low	31.4	Very low	164 Å²	164	125.2 Å²	125.2	77%	0.766	60%	0.604	S	S	*	*	H	α-helix	trans	-57.9	-30.8	-177.4	-68.2	-177.4	-14	0	0	113.9	S202	S202-Q204 PolarHBondContact O-N 2.96Å
205	N	31	Very low	31.2	Very low	126 Å²	126	124.9 Å²	124.9	67%	0.674	62%	0.616	S	S	*	*	H	α-helix	trans	-77.3	-22	177.6	-77.2	-24.3	0	0	0	114	W203	W203-N205 PolarHBondContact O-N 3.08Å; W203-N205 VanDerWaalsContact O-N 3.16Å
206	L	30.8	Very low	30.9	Very low	89 Å²	89	127.3 Å²	127.3	47%	0.466	62%	0.619	S	S	.	*	H	α-helix	trans	-81.3	-40.1	176.3	-105.9	155.4	0	0	0	111.1	W203 S208 K209 W210	W203-L206 HydrophobicContact CE3-CB 4.2Å; W203-L206 HydrophobicContact CE3-CD1 4.29Å; W203-L206 HydrophobicContact CZ3-CD1 4.36Å; W203-L206 PolarHBondContact O-N 2.9Å; L206-S208 VanDerWaalsContact C-N 3.32Å; L206-S208 PolarHBondContact O-N 3.29Å; L206-K209 PolarHBondContact O-N 3.44Å; L206-W210 WeakPolarHBondContact O-CB 3.39Å; L206-W210 PolarHBondContact O-N 3.08Å
207	A	28.7	Very low	30.7	Very low	54 Å²	54	126.4 Å²	126.4	45%	0.446	62%	0.621	S	S	.	*	H	α-helix	trans	-60.3	-36.5	175.8	0	0	0	0	0	113.3	W203 W210 W211	W203-A207 PolarHBondContact O-N 2.8Å; A207-W210 VanDerWaalsContact O-CB 3.31Å; A207-W210 WeakPolarHBondContact O-CB 3.44Å; A207-W210 PolarHBondContact O-N 2.83Å; A207-W211 PolarHBondContact O-N 2.88Å; A207-W211 VanDerWaalsContact O-N 3.08Å
208	S	31.2	Very low	30.5	Very low	67 Å²	67	128.3 Å²	128.3	47%	0.469	63%	0.631	S	S	.	*	H	α-helix	trans	-75.2	-32	178.2	84.9	0	0	0	0	113.1	L206 K212	L206-S208 VanDerWaalsContact C-N 3.32Å; L206-S208 PolarHBondContact O-N 3.29Å; S208-K212 PolarHBondContact O-N 2.89Å
209	K	29.6	Very low	30.1	Very low	157 Å²	157	128.6 Å²	128.6	68%	0.683	64%	0.639	S	S	*	*	H	α-helix	trans	-68.1	-40.2	168	-77.3	-175.7	174.9	-177.1	0	111.5	L206 W211 K212 F213	L206-K209 PolarHBondContact O-N 3.44Å; K209-W211 PolarHBondContact O-N 3.28Å; K209-K212 PolarHBondContact O-N 3.23Å; K209-F213 PolarHBondContact O-N 3.37Å
210	W	30.8	Very low	29.7	Very low	143 Å²	143	127.9 Å²	127.9	54%	0.542	63%	0.633	S	S	.	*	H	α-helix	trans	-54	-51	173.6	-113.9	68.9	0	0	0	112	A181 L206 A207 K212 F213 Y214	A181-W210 HydrophobicContact CB-CZ2 4.29Å; L206-W210 WeakPolarHBondContact O-CB 3.39Å; L206-W210 PolarHBondContact O-N 3.08Å; A207-W210 VanDerWaalsContact O-CB 3.31Å; A207-W210 WeakPolarHBondContact O-CB 3.44Å; A207-W210 PolarHBondContact O-N 2.83Å; W210-K212 VanDerWaalsContact C-N 3.33Å; W210-K212 PolarHBondContact O-N 3.35Å; W210-F213 PolarHBondContact O-N 3.01Å; W210-F213 VanDerWaalsContact O-N 3.13Å; W210-Y214 HydrophobicContact CE3-CD2 4.36Å; W210-Y214 HydrophobicContact CZ3-CD2 4.35Å; W210-Y214 HydrophobicContact CZ3-CE2 4.23Å; W210-Y214 PolarHBondContact O-N 3.27Å
211	W	28.7	Very low	29.4	Very low	217 Å²	217	128 Å²	128	82%	0.822	64%	0.641	S	S	*	*	H	α-helix	trans	-62.3	-36	177.5	-94.5	92.6	0	0	0	113.5	A207 K209 G215	A207-W211 PolarHBondContact O-N 2.88Å; A207-W211 VanDerWaalsContact O-N 3.08Å; K209-W211 PolarHBondContact O-N 3.28Å; W211-G215 PolarHBondContact O-N 3.41Å
212	K	29.6	Very low	29.1	Very low	169 Å²	169	128.8 Å²	128.8	74%	0.735	65%	0.649	S	S	*	*	H	α-helix	trans	-69.2	-33.4	173.5	-76.7	-176.6	175	-179.1	0	113	S208 K209 W210 H216	S208-K212 PolarHBondContact O-N 2.89Å; K209-K212 PolarHBondContact O-N 3.23Å; W210-K212 VanDerWaalsContact C-N 3.33Å; W210-K212 PolarHBondContact O-N 3.35Å; K212-H216 PolarHBondContact O-N 2.99Å
213	F	28.8	Very low	28.8	Very low	145 Å²	145	130 Å²	130	64%	0.636	65%	0.651	S	S	*	*	H	α-helix	trans	-76.1	-46.6	179.1	-161.6	-96.8	0	0	0	111.7	K209 W210 G215 H216 V217	K209-F213 PolarHBondContact O-N 3.37Å; W210-F213 PolarHBondContact O-N 3.01Å; W210-F213 VanDerWaalsContact O-N 3.13Å; F213-G215 VanDerWaalsContact C-N 3.29Å; F213-G215 PolarHBondContact O-N 3.33Å; F213-H216 WeakPolarHBondContact O-CB 3.24Å; F213-H216 PolarHBondContact O-N 3.04Å; F213-V217 HydrophobicContact CD1-CG2 3.98Å; F213-V217 HydrophobicContact CE1-CG2 3.8Å; F213-V217 HydrophobicContact CZ-CG2 4.44Å; F213-V217 WeakPolarHBondContact O-CG2 3.43Å; F213-V217 PolarHBondContact O-N 3.1Å; F213-V217 VanDerWaalsContact O-N 3.1Å
214	Y	29.3	Very low	28.4	Very low	149 Å²	149	129.9 Å²	129.9	58%	0.584	66%	0.662	S	S	*	*	H	α-helix	trans	-61.4	-36.9	177.1	-125.1	-87.2	0	0	0	112.4	W210 H216 I218	W210-Y214 HydrophobicContact CE3-CD2 4.36Å; W210-Y214 HydrophobicContact CZ3-CD2 4.35Å; W210-Y214 HydrophobicContact CZ3-CE2 4.23Å; W210-Y214 PolarHBondContact O-N 3.27Å; Y214-H216 PolarHBondContact O-N 3.07Å; Y214-I218 HydrophobicContact CD1-CD1 4.41Å
215	G	29	Very low	28.1	Very low	57 Å²	57	127.9 Å²	127.9	59%	0.588	66%	0.661	S	S	*	*	H	α-helix	trans	-70.5	-10.4	172.4	0	0	0	0	0	115.2	W211 F213	W211-G215 PolarHBondContact O-N 3.41Å; F213-G215 VanDerWaalsContact C-N 3.29Å; F213-G215 PolarHBondContact O-N 3.33Å
216	H	28.9	Very low	27.7	Very low	129 Å²	129	127.9 Å²	127.9	60%	0.597	67%	0.668	S	S	*	*	H	α-helix	trans	-99.7	-32.7	177.5	-128	51.9	0	0	0	112.7	K212 F213 Y214 I218 G219	K212-H216 PolarHBondContact O-N 2.99Å; F213-H216 WeakPolarHBondContact O-CB 3.24Å; F213-H216 PolarHBondContact O-N 3.04Å; Y214-H216 PolarHBondContact O-N 3.07Å; H216-I218 VanDerWaalsContact C-N 3.32Å; H216-I218 PolarHBondContact O-N 3.47Å; H216-G219 PolarHBondContact O-N 2.96Å
217	V	29.3	Very low	27.5	Very low	99 Å²	99	131.6 Å²	131.6	60%	0.6	69%	0.688	S	S	*	*	H	α-helix	trans	-70.7	-25.1	-179.2	174.2	0	0	0	0	112.8	F213 G219	F213-V217 HydrophobicContact CD1-CG2 3.98Å; F213-V217 HydrophobicContact CE1-CG2 3.8Å; F213-V217 HydrophobicContact CZ-CG2 4.44Å; F213-V217 WeakPolarHBondContact O-CG2 3.43Å; F213-V217 PolarHBondContact O-N 3.1Å; F213-V217 VanDerWaalsContact O-N 3.1Å; V217-G219 PolarHBondContact O-N 3.21Å
218	I	30.9	Very low	27.4	Very low	144 Å²	144	133 Å²	133	74%	0.738	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-4.1	175.9	-60.9	172.1	0	0	0	111.8	Y214 H216	Y214-I218 HydrophobicContact CD1-CD1 4.41Å; H216-I218 VanDerWaalsContact C-N 3.32Å; H216-I218 PolarHBondContact O-N 3.47Å
219	G	25.7	Very low	27.3	Very low	60 Å²	60	135.3 Å²	135.3	62%	0.619	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	6.7	-168.5	0	0	0	0	0	117.7	H216 V217	H216-G219 PolarHBondContact O-N 2.96Å; V217-G219 PolarHBondContact O-N 3.21Å
220	K	24.2	Very low	27.2	Very low	154 Å²	154	132.5 Å²	132.5	67%	0.67	70%	0.703	S	S	*	*	S	Bend	trans	-143.1	117.4	-179.5	-78.6	-172.3	174.2	177.5	0	114.6
221	D	24.6	Very low	27.1	Very low	161 Å²	161	130.6 Å²	130.6	86%	0.861	71%	0.708	S	S	*	*			trans	4.5	103.5	152	-48.5	-40.3	0	0	0	118
222	I	26.5	Very low	27	Very low	154 Å²	154	128.8 Å²	128.8	79%	0.79	71%	0.706	S	S	*	*			trans	-126.4	112.1	155.6	-61.5	-177.3	0	0	0	109
223	V	22.3	Very low	26.8	Very low	128 Å²	128	129.4 Å²	129.4	78%	0.776	71%	0.708	S	S	*	*			trans	-74.1	123.9	-178.9	176.4	0	0	0	0	110.4
224	L	26.2	Very low	26.8	Very low	161 Å²	161	126.7 Å²	126.7	84%	0.843	70%	0.7	S	S	*	*			trans	-127.4	138.4	162.6	-78.5	170.9	0	0	0	110.3
225	T	23.8	Very low	26.7	Very low	122 Å²	122	121.3 Å²	121.3	75%	0.748	69%	0.689	S	S	*	*			trans	-78.2	157.9	-157.8	36.2	0	0	0	0	115
226	P	23.7	Very low	26.7	Very low	126 Å²	126	125.4 Å²	125.4	82%	0.818	70%	0.698	S	S	*	*			trans	-84.5	137.2	-164.7	32.9	-35.7	0	0	0	114.1
227	L	26.3	Very low	26.6	Very low	168 Å²	168	128.3 Å²	128.3	88%	0.88	71%	0.708	S	S	*	*			trans	-134.9	111.8	171.1	-92.2	163.3	0	0	0	112.3
228	S	26.8	Very low	26.5	Very low	84 Å²	84	131.6 Å²	131.6	59%	0.587	72%	0.715	S	S	*	*			trans	70.9	136.8	161.6	-169.6	0	0	0	0	120	V230	S228-V230 VanDerWaalsContact C-N 3.34Å; S228-V230 PolarHBondContact O-N 2.85Å
229	P	27.7	Very low	26.2	Very low	114 Å²	114	130.4 Å²	130.4	74%	0.74	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-79	-3.8	-174.3	-11.7	29.4	0	0	0	116.1	T231 K232	P229-T231 PolarHBondContact O-N 3.13Å; P229-K232 PolarHBondContact O-N 2.89Å
230	V	27.7	Very low	26.2	Very low	98 Å²	98	130.4 Å²	130.4	59%	0.594	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-68.8	-32.7	-167.8	-179.9	0	0	0	0	112.7	S228 K232 K233 I234	S228-V230 VanDerWaalsContact C-N 3.34Å; S228-V230 PolarHBondContact O-N 2.85Å; V230-K232 PolarHBondContact O-N 3.06Å; V230-K233 PolarHBondContact O-N 3Å; V230-I234 HydrophobicContact CG1-CD1 4.38Å
231	T	28.5	Very low	26.3	Very low	104 Å²	104	132.4 Å²	132.4	64%	0.638	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-63.3	-25	178.3	43.2	0	0	0	0	113.4	P229 K233 I234	P229-T231 PolarHBondContact O-N 3.13Å; T231-K233 VanDerWaalsContact C-N 3.3Å; T231-K233 PolarHBondContact O-N 3.14Å; T231-I234 PolarHBondContact O-N 2.83Å; T231-I234 VanDerWaalsContact O-N 3.14Å
232	K	26.9	Very low	26.3	Very low	178 Å²	178	127.8 Å²	127.8	77%	0.774	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-72.5	-18.2	-178.2	-148.1	172.8	-173.1	177.9	0	114	P229 V230	P229-K232 PolarHBondContact O-N 2.89Å; V230-K232 PolarHBondContact O-N 3.06Å
233	K	26.3	Very low	26.2	Very low	182 Å²	182	127.1 Å²	127.1	79%	0.791	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-91.8	-6.9	171.6	-100.4	179	177.9	174	0	114	V230 T231	V230-K233 PolarHBondContact O-N 3Å; T231-K233 VanDerWaalsContact C-N 3.3Å; T231-K233 PolarHBondContact O-N 3.14Å
234	I	28.7	Very low	26.3	Very low	89 Å²	89	127.3 Å²	127.3	46%	0.456	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92	-32.8	-177.3	-62.3	174.6	0	0	0	110.4	V230 T231 D236 F238	V230-I234 HydrophobicContact CG1-CD1 4.38Å; T231-I234 PolarHBondContact O-N 2.83Å; T231-I234 VanDerWaalsContact O-N 3.14Å; I234-D236 PolarHBondContact O-N 3Å; I234-F238 HydrophobicContact CG2-CD2 4.06Å; I234-F238 HydrophobicContact CG2-CE2 4.26Å; I234-F238 WeakPolarHBondContact O-CD2 3.47Å
235	G	27.1	Very low	26.3	Very low	35 Å²	35	123.7 Å²	123.7	36%	0.361	69%	0.688	S	S	.	*	H	α-helix	trans	-57.7	-47.6	174.2	0	0	0	0	0	114	K237 F238	G235-K237 PolarHBondContact O-N 2.91Å; G235-K237 VanDerWaalsContact O-N 3.1Å; G235-F238 PolarHBondContact O-N 2.99Å
236	D	27.6	Very low	26.4	Very low	144 Å²	144	121.3 Å²	121.3	77%	0.77	67%	0.674	S	S	*	*	H	α-helix	trans	-71.3	-6.4	-171.6	-63.8	-18	0	0	0	115.2	I234	I234-D236 PolarHBondContact O-N 3Å
237	K	27	Very low	26.5	Very low	189 Å²	189	119.2 Å²	119.2	82%	0.822	67%	0.667	S	S	*	*	H	α-helix	trans	-112.1	-8.5	176.7	-85.1	-173.5	175.1	-179.1	0	114.9	G235	G235-K237 PolarHBondContact O-N 2.91Å; G235-K237 VanDerWaalsContact O-N 3.1Å
238	F	27.6	Very low	26.6	Very low	169 Å²	169	117.9 Å²	117.9	74%	0.741	66%	0.661	S	S	*	*	H	α-helix	trans	-110.3	-11.3	-174.6	-85.6	-92.1	0	0	0	114.5	I234 G235 G240	I234-F238 HydrophobicContact CG2-CD2 4.06Å; I234-F238 HydrophobicContact CG2-CE2 4.26Å; I234-F238 WeakPolarHBondContact O-CD2 3.47Å; G235-F238 PolarHBondContact O-N 2.99Å; F238-G240 PolarHBondContact O-N 2.84Å
239	L	25.4	Very low	26.6	Very low	118 Å²	118	118.4 Å²	118.4	62%	0.618	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	74.5	178.6	-81.1	160.2	0	0	0	112.7	L244	L239-L244 HydrophobicContact CD2-CD1 4.38Å
240	G	25.3	Very low	26.6	Very low	61 Å²	61	120.1 Å²	120.1	63%	0.629	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-36.2	171.8	0	0	0	0	0	114.9	F238	F238-G240 PolarHBondContact O-N 2.84Å
241	H	25.3	Very low	26.7	Very low	195 Å²	195	123.9 Å²	123.9	90%	0.903	66%	0.664	S	S	*	*	S	Bend	trans	-141	54.9	-170.5	-72.4	-20.5	0	0	0	113.3
242	A	25.5	Very low	26.8	Very low	64 Å²	64	126 Å²	126	53%	0.529	67%	0.671	S	S	.	*			trans	-158.2	125.9	160	0	0	0	0	0	109.7	L244	A242-L244 PolarHBondContact O-N 2.94Å
243	V	25.2	Very low	26.9	Very low	141 Å²	141	122.5 Å²	122.5	86%	0.855	66%	0.66	S	S	*	*			trans	-79.3	81	169.8	-177.7	0	0	0	0	108	V245	V243-V245 HydrophobicContact CG1-CG2 4.06Å; V243-V245 PolarHBondContact O-N 2.89Å
244	L	24.1	Very low	27	Very low	131 Å²	131	124.4 Å²	124.4	69%	0.686	66%	0.662	S	S	*	*			trans	-72.8	93.5	168.4	-105.4	161.3	0	0	0	108.5	L239 A242 T246	L239-L244 HydrophobicContact CD2-CD1 4.38Å; A242-L244 PolarHBondContact O-N 2.94Å; L244-T246 PolarHBondContact O-N 2.97Å
245	V	25.7	Very low	27.1	Very low	85 Å²	85	127.6 Å²	127.6	52%	0.515	68%	0.68	S	S	.	*			trans	-67.9	98.7	166.9	-177.2	0	0	0	0	107.5	V243 F250	V243-V245 HydrophobicContact CG1-CG2 4.06Å; V243-V245 PolarHBondContact O-N 2.89Å; V245-F250 HydrophobicContact CG1-CD2 3.85Å; V245-F250 HydrophobicContact CG1-CE2 4.18Å
246	T	25.8	Very low	27.1	Very low	73 Å²	73	134.9 Å²	134.9	45%	0.448	70%	0.697	S	S	.	*			trans	-63.4	141.9	171.8	49.6	0	0	0	0	110.2	L244 D248 N249	L244-T246 PolarHBondContact O-N 2.97Å; T246-D248 PolarHBondContact O-N 2.93Å; T246-D248 VanDerWaalsContact O-N 3.09Å; T246-N249 PolarHBondContact O-N 2.64Å; T246-N249 VanDerWaalsContact O-N 3.12Å; T246-N249 PolarHBondContact OG1-ND2 3.32Å
247	A	26.6	Very low	27.2	Very low	81 Å²	81	131.6 Å²	131.6	67%	0.669	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-58.3	-27.3	-172.9	0	0	0	0	0	113.6	N249 F250	A247-N249 PolarHBondContact O-N 2.93Å; A247-F250 WeakPolarHBondContact O-CB 3.3Å; A247-F250 PolarHBondContact O-N 3.22Å; A247-F250 VanDerWaalsContact O-N 3.09Å
248	D	27.4	Very low	27.3	Very low	141 Å²	141	130.8 Å²	130.8	75%	0.754	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-61.1	-29.3	179.2	-55.2	-36.4	0	0	0	113.3	T246 F250	T246-D248 PolarHBondContact O-N 2.93Å; T246-D248 VanDerWaalsContact O-N 3.09Å; D248-F250 VanDerWaalsContact C-N 3.32Å; D248-F250 PolarHBondContact O-N 3.26Å
249	N	27.9	Very low	27.5	Very low	94 Å²	94	126 Å²	126	50%	0.503	68%	0.676	S	S	.	*	G	3₁₀ helix	trans	-81.3	-9.4	179	-75.2	-43	0	0	0	113.5	T246 A247	T246-N249 PolarHBondContact O-N 2.64Å; T246-N249 VanDerWaalsContact O-N 3.12Å; T246-N249 PolarHBondContact OG1-ND2 3.32Å; A247-N249 PolarHBondContact O-N 2.93Å
250	F	28	Very low	27.8	Very low	150 Å²	150	124.4 Å²	124.4	66%	0.658	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-81.8	-20.8	-171.9	-131.5	-88.2	0	0	0	114.1	V245 A247 D248	V245-F250 HydrophobicContact CG1-CD2 3.85Å; V245-F250 HydrophobicContact CG1-CE2 4.18Å; A247-F250 WeakPolarHBondContact O-CB 3.3Å; A247-F250 PolarHBondContact O-N 3.22Å; A247-F250 VanDerWaalsContact O-N 3.09Å; D248-F250 VanDerWaalsContact C-N 3.32Å; D248-F250 PolarHBondContact O-N 3.26Å
251	Q	28.7	Very low	28.1	Very low	178 Å²	178	124.6 Å²	124.6	83%	0.832	65%	0.654	S	S	*	*	S	Bend	trans	-82.4	-28.1	179.2	-69.2	-164.7	-0.5	0	0	113.7	L253	Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 3.39Å
252	L	30.9	Very low	28.4	Very low	148 Å²	148	118.9 Å²	118.9	78%	0.775	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-15.4	-179.4	-92.9	154.7	0	0	0	114.2
253	L	28.7	Very low	28.5	Very low	105 Å²	105	124 Å²	124	55%	0.55	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92	-0.9	-175.2	-72.6	168.6	0	0	0	114.6	Q251 N255	Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 3.39Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 3.03Å
254	R	28.4	Very low	28.9	Very low	222 Å²	222	123.5 Å²	123.5	84%	0.838	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-12.5	-169.4	-147.8	173.1	-171.8	174.7	2.8	115.5
255	N	30.5	Very low	29.2	Very low	156 Å²	156	122.6 Å²	122.6	83%	0.834	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	19.5	-167.3	-74	-6.7	0	0	0	115.3	L253	L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 3.03Å
256	R	27.1	Very low	29.4	Very low	188 Å²	188	126.1 Å²	126.1	71%	0.709	65%	0.646	S	S	*	*	S	Bend	trans	-123.1	147	175.6	-68.5	-163	-177	-140.9	4.6	112.8
257	S	29.9	Very low	29.4	Very low	75 Å²	75	126 Å²	126	52%	0.524	66%	0.659	S	S	.	*			trans	-69.8	152.4	-175.3	44.3	0	0	0	0	112.4	A259 D260	S257-A259 PolarHBondContact O-N 3.47Å; S257-D260 PolarHBondContact O-N 3.27Å
258	H	29.7	Very low	29.4	Very low	172 Å²	172	127.7 Å²	127.7	80%	0.796	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-7.8	-176.7	-86.9	-95.3	0	0	0	115.8	V262	H258-V262 WeakPolarHBondContact O-CG2 3.46Å
259	A	31.5	Very low	29.5	Very low	69 Å²	69	132.5 Å²	132.5	57%	0.57	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-48.1	179.9	0	0	0	0	0	112.4	S257 I261 V262	S257-A259 PolarHBondContact O-N 3.47Å; A259-I261 VanDerWaalsContact C-N 3.25Å; A259-I261 PolarHBondContact O-N 2.94Å; A259-V262 WeakPolarHBondContact O-CB 3.35Å; A259-V262 PolarHBondContact O-N 3.45Å
260	D	30.9	Very low	29.5	Very low	83 Å²	83	139.1 Å²	139.1	44%	0.444	68%	0.682	S	S	.	*	H	α-helix	trans	-68.5	-25.1	-173.2	-59.1	3.7	0	0	0	112.9	S257 V262	S257-D260 PolarHBondContact O-N 3.27Å; D260-V262 PolarHBondContact O-N 3.41Å
261	I	32.3	Very low	29.7	Very low	65 Å²	65	137 Å²	137	33%	0.333	68%	0.676	S	S	.	*	H	α-helix	trans	-68.7	-22.8	176.9	-62.2	171.2	0	0	0	111	A259 I265	A259-I261 VanDerWaalsContact C-N 3.25Å; A259-I261 PolarHBondContact O-N 2.94Å; I261-I265 HydrophobicContact CG2-CD1 3.8Å; I261-I265 WeakPolarHBondContact O-CD1 3.27Å; I261-I265 WeakPolarHBondContact O-CG1 3.38Å
262	V	30.8	Very low	29.6	Very low	75 Å²	75	135.9 Å²	135.9	46%	0.455	67%	0.671	S	S	.	*	H	α-helix	trans	-80.9	-27.9	-177	-179.6	0	0	0	0	112.3	H258 A259 D260 F266	H258-V262 WeakPolarHBondContact O-CG2 3.46Å; A259-V262 WeakPolarHBondContact O-CB 3.35Å; A259-V262 PolarHBondContact O-N 3.45Å; D260-V262 PolarHBondContact O-N 3.41Å; V262-F266 HydrophobicContact CG1-CD2 3.87Å; V262-F266 HydrophobicContact CG1-CE2 3.97Å; V262-F266 HydrophobicContact CG1-CG 4.47Å; V262-F266 WeakPolarHBondContact O-CB 3.39Å; V262-F266 WeakPolarHBondContact O-CD2 3.11Å; V262-F266 PolarHBondContact O-N 3.43Å
263	E	28.7	Very low	29.4	Very low	171 Å²	171	132.4 Å²	132.4	80%	0.799	67%	0.671	S	S	*	*	H	α-helix	trans	-74.4	-39.7	176.4	-88.3	-167.5	139.1	0	0	113.1	I265 F266	E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 PolarHBondContact O-N 3.37Å; E263-F266 PolarHBondContact O-N 2.92Å
264	V	32.7	Very low	29.4	Very low	131 Å²	131	134.8 Å²	134.8	79%	0.794	68%	0.681	S	S	*	*	H	α-helix	trans	-68.7	-30.6	-176.8	-177.2	0	0	0	0	112.2
265	I	31	Very low	29.4	Very low	113 Å²	113	130.3 Å²	130.3	58%	0.579	67%	0.668	S	S	*	*	H	α-helix	trans	-83.5	-28.9	-178.5	-65.4	174.8	0	0	0	112.2	I261 E263	I261-I265 HydrophobicContact CG2-CD1 3.8Å; I261-I265 WeakPolarHBondContact O-CD1 3.27Å; I261-I265 WeakPolarHBondContact O-CG1 3.38Å; E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 PolarHBondContact O-N 3.37Å
266	F	29.5	Very low	29.1	Very low	158 Å²	158	132.2 Å²	132.2	69%	0.693	66%	0.664	S	S	*	*	S	Bend	trans	-97.2	8.6	-168	-76.6	-105.4	0	0	0	115.2	V262 E263 N268	V262-F266 HydrophobicContact CG1-CD2 3.87Å; V262-F266 HydrophobicContact CG1-CE2 3.97Å; V262-F266 HydrophobicContact CG1-CG 4.47Å; V262-F266 WeakPolarHBondContact O-CB 3.39Å; V262-F266 WeakPolarHBondContact O-CD2 3.11Å; V262-F266 PolarHBondContact O-N 3.43Å; E263-F266 PolarHBondContact O-N 2.92Å; F266-N268 PolarHBondContact O-N 3.45Å; F266-N268 VanDerWaalsContact O-N 3.07Å
267	G	26.4	Very low	29.2	Very low	70 Å²	70	131.2 Å²	131.2	72%	0.722	67%	0.667	S	S	*	*			trans	-67.4	-1.7	179.3	0	0	0	0	0	116.9
268	N	27.2	Very low	29.1	Very low	118 Å²	118	134.2 Å²	134.2	63%	0.631	68%	0.677	S	S	*	*			trans	-123.2	104.6	-168	-146	-24.7	0	0	0	113.5	F266 R270	F266-N268 PolarHBondContact O-N 3.45Å; F266-N268 VanDerWaalsContact O-N 3.07Å; N268-R270 PolarHBondContact O-N 2.83Å
269	R	28	Very low	29	Very low	241 Å²	241	134.1 Å²	134.1	91%	0.909	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	36	-169.4	-59.7	-175.7	-179.6	179.9	-0.1	116.4
270	R	29.2	Very low	28.8	Very low	234 Å²	234	136.4 Å²	136.4	88%	0.883	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	-3.9	-177.5	-77.8	-175.2	173.4	173.3	-0.6	115.7	N268	N268-R270 PolarHBondContact O-N 2.83Å
271	I	31.2	Very low	28.6	Very low	104 Å²	104	138.2 Å²	138.2	53%	0.533	70%	0.696	S	S	.	*			trans	-104.5	-3.2	-170.6	-55.7	174.6	0	0	0	112.4	G273 F275	I271-G273 VanDerWaalsContact C-N 3.27Å; I271-G273 PolarHBondContact O-N 2.64Å; I271-G273 VanDerWaalsContact O-N 3.13Å; I271-F275 HydrophobicContact CG2-CD2 3.92Å; I271-F275 HydrophobicContact CG2-CE2 4.4Å
272	E	26.2	Very low	28.4	Very low	155 Å²	155	138.3 Å²	138.3	72%	0.724	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-18.6	-169.4	-135.8	177.1	162.8	0	0	115.5
273	G	28.3	Very low	28.1	Very low	75 Å²	75	144.7 Å²	144.7	77%	0.773	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-21.1	-176.2	0	0	0	0	0	116.3	I271	I271-G273 VanDerWaalsContact C-N 3.27Å; I271-G273 PolarHBondContact O-N 2.64Å; I271-G273 VanDerWaalsContact O-N 3.13Å
274	M	27.9	Very low	28	Very low	155 Å²	155	141.1 Å²	141.1	76%	0.764	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-19	-172.1	-78.3	174.7	61.8	0	0	114.5
275	F	27.6	Very low	27.8	Very low	129 Å²	129	146.3 Å²	146.3	57%	0.566	72%	0.721	S	S	*	*	S	Bend	trans	-103	-0	-172.2	-92.1	-88	0	0	0	115.3	I271	I271-F275 HydrophobicContact CG2-CD2 3.92Å; I271-F275 HydrophobicContact CG2-CE2 4.4Å
276	R	25	Very low	27.6	Very low	195 Å²	195	149.5 Å²	149.5	74%	0.736	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-16.6	-174.2	-107.4	-176.1	-178.9	-145.8	2.8	116.1	L280	R276-L280 WeakPolarHBondContact O-CD1 3.45Å
277	E	29.1	Very low	27.5	Very low	167 Å²	167	145.2 Å²	145.2	78%	0.78	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-21.7	-179.5	-65.5	-159.1	144.9	0	0	114.8
278	L	28.6	Very low	27.6	Very low	138 Å²	138	147.1 Å²	147.1	72%	0.723	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-12.1	-169.9	-82.8	159.8	0	0	0	115.5
279	F	27.3	Very low	27.7	Very low	171 Å²	171	145.8 Å²	145.8	75%	0.75	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	5.3	-175.1	-107.3	-88	0	0	0	115.9
280	L	26.6	Very low	27.6	Very low	116 Å²	116	144.2 Å²	144.2	61%	0.607	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	1.3	-168.4	-107	132.2	0	0	0	116.5	R276 L284	R276-L280 WeakPolarHBondContact O-CD1 3.45Å; L280-L284 HydrophobicContact CD2-CD1 3.67Å
281	S	27.1	Very low	27.5	Very low	122 Å²	122	141.3 Å²	141.3	85%	0.853	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-5.7	-175.1	62.5	0	0	0	0	116.4
282	G	27.5	Very low	27.4	Very low	67 Å²	67	142.4 Å²	142.4	69%	0.691	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-36.7	-179	0	0	0	0	0	115.8
283	Y	25.6	Very low	27.4	Very low	209 Å²	209	143.3 Å²	143.3	82%	0.82	74%	0.738	S	S	*	*	S	Bend	trans	-100.8	-1.1	-162.6	-129.7	-99.4	0	0	0	115.7
284	L	26.6	Very low	27.3	Very low	96 Å²	96	146.4 Å²	146.4	50%	0.503	74%	0.741	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.3	2.5	-175.1	-89.9	162.5	0	0	0	115.2	L280 V288	L280-L284 HydrophobicContact CD2-CD1 3.67Å; L284-V288 HydrophobicContact CD2-CG2 3.9Å; L284-V288 WeakPolarHBondContact O-CG2 3.49Å
285	R	27.8	Very low	27.2	Very low	240 Å²	240	147.8 Å²	147.8	91%	0.906	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-14.4	177.6	-86.6	-175	-172.8	175.4	5.5	115.6
286	E	27.8	Very low	27.2	Very low	180 Å²	180	151.3 Å²	151.3	84%	0.841	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	-16.7	177.5	-67.2	-176.1	138.8	0	0	113.4
287	A	27.3	Very low	27.2	Very low	67 Å²	67	151.6 Å²	151.6	55%	0.554	77%	0.766	S	S	*	*	S	Bend	trans	-86	-18	-178.1	0	0	0	0	0	115.1	A289	A287-A289 VanDerWaalsContact C-N 3.32Å; A287-A289 PolarHBondContact O-N 2.9Å
288	V	27.9	Very low	27	Very low	111 Å²	111	149.7 Å²	149.7	67%	0.673	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	3.1	-172.9	-176.4	0	0	0	0	112.8	L284	L284-V288 HydrophobicContact CD2-CG2 3.9Å; L284-V288 WeakPolarHBondContact O-CG2 3.49Å
289	A	29.8	Very low	26.8	Very low	89 Å²	89	153.2 Å²	153.2	74%	0.736	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	12.8	-176.7	0	0	0	0	0	115.2	A287	A287-A289 VanDerWaalsContact C-N 3.32Å; A287-A289 PolarHBondContact O-N 2.9Å
290	R	26.1	Very low	26.6	Very low	208 Å²	208	149.7 Å²	149.7	79%	0.785	78%	0.778	S	S	*	*	S	Bend	trans	-132.8	-5.8	-166.7	-69.5	-170.3	-174.6	167.3	4.7	119.4
291	H	27.1	Very low	26.6	Very low	174 Å²	174	151.1 Å²	151.1	81%	0.806	79%	0.791	S	S	*	*			trans	-136.3	114.5	-179.6	-73.3	-69.7	0	0	0	113.5
292	P	27.9	Very low	26.4	Very low	127 Å²	127	156.9 Å²	156.9	83%	0.825	79%	0.794	S	S	*	*			trans	-85.1	-3.9	-176	-13.3	30.4	0	0	0	117
293	E	25.9	Very low	26.2	Very low	174 Å²	174	164.8 Å²	164.8	81%	0.813	80%	0.803	S	S	*	*			trans	-130.8	77.3	-157.7	-61.6	-172.1	173.2	0	0	115.5
294	V	27.8	Very low	26.2	Very low	139 Å²	139	162.7 Å²	162.7	84%	0.842	81%	0.805	S	S	*	*			trans	-142.4	74.6	156.4	-165.1	0	0	0	0	111.4
295	K	24.6	Very low	26.3	Very low	184 Å²	184	164.5 Å²	164.5	80%	0.8	82%	0.821	S	S	*	*			trans	-74.8	156	150.8	-85.7	175.1	172.9	172.1	0	108.4
296	Y	26.9	Very low	26.2	Very low	204 Å²	204	164.9 Å²	164.9	80%	0.8	82%	0.824	S	S	*	*			trans	77	92.3	175.8	-54.1	-80.9	0	0	0	118
297	M	25.8	Very low	26	Very low	201 Å²	201	159.2 Å²	159.2	99%	0.99	81%	0.814	S	S	*	*			trans	-154.1	69.3	140.2	-89.8	-131.1	-160.1	0	0	111.6
298	T	25.1	Very low	26	Very low	127 Å²	127	164.1 Å²	164.1	78%	0.779	83%	0.831	S	S	*	*			trans	-100.6	122.1	160.5	25.3	0	0	0	0	109.2
299	K	23.6	Very low	25.9	Very low	212 Å²	212	165.2 Å²	165.2	92%	0.922	84%	0.838	S	S	*	*			trans	172.6	-9.1	143.8	-103.3	173.6	177.3	178.4	0	118.7
300	A	23.6	Very low	25.7	Very low	96 Å²	96	168.9 Å²	168.9	79%	0.793	84%	0.844	S	S	*	*	S	Bend	trans	-88.9	147	-176.4	0	0	0	0	0	113.6
301	V	27.5	Very low	25.7	Very low	146 Å²	146	163.2 Å²	163.2	89%	0.885	84%	0.842	S	S	*	*			trans	72	52.5	172.2	-153.9	0	0	0	0	116.8
302	R	22.3	Very low	25.8	Very low	243 Å²	243	161.6 Å²	161.6	92%	0.917	84%	0.843	S	S	*	*			trans	-96	112	147.3	-97.7	-176.7	171.1	174.3	-2.9	109.2
303	R	23.3	Very low	25.9	Very low	234 Å²	234	163.2 Å²	163.2	88%	0.883	84%	0.844	S	S	*	*			trans	175.1	149.4	152.8	-102.3	163	-175	-174.2	1.3	110.9
304	L	25.9	Very low	25.9	Very low	164 Å²	164	159.3 Å²	159.3	86%	0.859	84%	0.836	S	S	*	*			trans	74.1	121.1	-179.4	-49.7	159.8	0	0	0	113.9
305	T	29	Very low	25.9	Very low	135 Å²	135	162.1 Å²	162.1	83%	0.828	84%	0.837	S	S	*	*			cis	-152	150.4	-5.5	10.7	0	0	0	0	109.8
306	Y	24.2	Very low	26.2	Very low	247 Å²	247	159.8 Å²	159.8	97%	0.969	84%	0.838	S	S	*	*			trans	-80.3	151.1	-178.4	-103.3	-114.1	0	0	0	113.5
307	G	24.4	Very low	26.2	Very low	62 Å²	62	154.2 Å²	154.2	64%	0.639	84%	0.843	S	S	*	*			trans	169	119.8	163.2	0	0	0	0	0	113.3
308	N	27.2	Very low	26.5	Very low	169 Å²	169	150.9 Å²	150.9	90%	0.904	83%	0.833	S	S	*	*			trans	78.4	54.2	167.5	-53.9	-12.3	0	0	0	119.4
309	V	25.6	Very low	26.6	Very low	135 Å²	135	151.9 Å²	151.9	82%	0.818	83%	0.834	S	S	*	*			trans	-113.1	70.1	162.6	-174.9	0	0	0	0	109.9
310	L	25.4	Very low	26.9	Very low	166 Å²	166	147.3 Å²	147.3	87%	0.869	83%	0.829	S	S	*	*			trans	-154.8	20	-173.5	-119.2	161.7	0	0	0	116.7
311	A	27.3	Very low	27.1	Very low	89 Å²	89	149.9 Å²	149.9	74%	0.736	83%	0.829	S	S	*	*	S	Bend	trans	-129	3.4	-172.9	0	0	0	0	0	116.8
312	V	29.5	Very low	27.2	Very low	139 Å²	139	147.3 Å²	147.3	84%	0.842	82%	0.818	S	S	*	*	S	Bend	trans	-134.1	36.1	-173.5	-157.8	0	0	0	0	112.6
313	I	28.2	Very low	27.6	Very low	161 Å²	161	142.7 Å²	142.7	83%	0.826	82%	0.817	S	S	*	*	S	Bend	trans	-120.9	36.6	178.8	-43.8	-177.7	0	0	0	110.5
314	S	26.8	Very low	27.9	Very low	93 Å²	93	136.4 Å²	136.4	65%	0.65	81%	0.809	S	S	*	*	S	Bend	trans	-137.1	4.6	-173.2	52.5	0	0	0	0	115.7
315	F	28.5	Very low	28.2	Very low	197 Å²	197	134.8 Å²	134.8	86%	0.864	80%	0.8	S	S	*	*	S	Bend	trans	-136.8	54.5	-173.5	-97.5	-85.8	0	0	0	114.5
316	T	30.4	Very low	28.5	Very low	136 Å²	136	132.7 Å²	132.7	83%	0.834	79%	0.789	S	S	*	*			trans	-166.1	100.8	150	32.7	0	0	0	0	109.1	V318	T316-V318 PolarHBondContact O-N 2.92Å
317	G	27.1	Very low	29	Very low	87 Å²	87	127.3 Å²	127.3	90%	0.897	78%	0.777	S	S	*	*			trans	-77.6	99.4	179.7	0	0	0	0	0	112.1
318	V	30.8	Very low	29.6	Very low	130 Å²	130	128 Å²	128	79%	0.788	78%	0.776	S	S	*	*			trans	-130.4	111.8	169.2	-177.7	0	0	0	0	108.6	T316	T316-V318 PolarHBondContact O-N 2.92Å
319	D	28.9	Very low	30	Very low	149 Å²	149	123.4 Å²	123.4	80%	0.797	76%	0.755	S	S	*	*			trans	-63.8	138.9	-176.4	-75.8	-49.4	0	0	0	112.9	N321	D319-N321 PolarHBondContact O-N 3.37Å
320	S	28.6	Very low	30.3	Very low	116 Å²	116	124 Å²	124	81%	0.811	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	11.1	-173.1	48	0	0	0	0	115.4
321	N	28.8	Very low	30.7	Very low	149 Å²	149	125.1 Å²	125.1	80%	0.797	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	3.9	-163.5	-82.2	-22.7	0	0	0	117.3	D319	D319-N321 PolarHBondContact O-N 3.37Å
322	S	29.7	Very low	31.1	Very low	93 Å²	93	123.4 Å²	123.4	65%	0.65	73%	0.726	S	S	*	*			trans	-92.1	113.7	178.2	62.8	0	0	0	0	113.6	S324	S322-S324 PolarHBondContact O-N 3.47Å; S322-S324 VanDerWaalsContact O-N 3.08Å
323	T	29.9	Very low	31.4	Very low	146 Å²	146	124.1 Å²	124.1	90%	0.896	72%	0.715	S	S	*	*			trans	-82.4	65.9	-173.4	49.7	0	0	0	0	114.7
324	S	29.7	Very low	31.8	Very low	102 Å²	102	124.1 Å²	124.1	71%	0.713	71%	0.705	S	S	*	*			trans	-167.2	67.5	171.1	48.1	0	0	0	0	115.5	S322	S322-S324 PolarHBondContact O-N 3.47Å; S322-S324 VanDerWaalsContact O-N 3.08Å
325	L	32.3	Very low	32.1	Very low	129 Å²	129	127.7 Å²	127.7	68%	0.675	71%	0.705	S	S	*	*			trans	-130.7	140.8	160.6	-98.2	99.9	0	0	0	112.7	T329	L325-T329 HydrophobicContact CD2-CG2 4.33Å
326	P	35.2	Very low	32.5	Very low	92 Å²	92	122.7 Å²	122.7	60%	0.597	69%	0.69	S	S	*	*			trans	-64.4	148.5	-178.2	-20.5	32.9	0	0	0	113.3	A328 T329	P326-A328 PolarHBondContact O-N 3.24Å; P326-T329 PolarHBondContact O-N 2.99Å; P326-T329 VanDerWaalsContact O-N 3.11Å; P326-T329 PolarHBondContact O-OG1 3.38Å; P326-T329 VanDerWaalsContact O-OG1 3.09Å
327	N	35.3	Very low	32.7	Very low	134 Å²	134	120.5 Å²	120.5	72%	0.717	67%	0.67	S	S	*	*	H	α-helix	trans	-56.8	-22.7	179.6	-73.8	-29.6	0	0	0	114.3	T329 K330 Y331	N327-T329 PolarHBondContact O-N 3.28Å; N327-K330 PolarHBondContact O-N 2.99Å; N327-Y331 PolarHBondContact O-N 3.06Å; N327-Y331 VanDerWaalsContact O-N 3.13Å
328	A	37.1	Very low	33.2	Very low	75 Å²	75	118.7 Å²	118.7	62%	0.62	65%	0.647	S	S	*	*	H	α-helix	trans	-60.5	-40.1	176.4	0	0	0	0	0	113.1	P326 Y331 A332	P326-A328 PolarHBondContact O-N 3.24Å; A328-Y331 PolarHBondContact O-N 2.84Å; A328-A332 PolarHBondContact O-N 2.75Å
329	T	34.9	Very low	33.3	Very low	73 Å²	73	117.5 Å²	117.5	45%	0.448	63%	0.632	S	S	.	*	H	α-helix	trans	-72.5	-35.6	-177.3	-8.2	0	0	0	0	112	L325 P326 N327 A332 Y333	L325-T329 HydrophobicContact CD2-CG2 4.33Å; P326-T329 PolarHBondContact O-N 2.99Å; P326-T329 VanDerWaalsContact O-N 3.11Å; P326-T329 PolarHBondContact O-OG1 3.38Å; P326-T329 VanDerWaalsContact O-OG1 3.09Å; N327-T329 PolarHBondContact O-N 3.28Å; T329-A332 PolarHBondContact O-N 3.02Å; T329-Y333 PolarHBondContact O-N 3.33Å; T329-Y333 VanDerWaalsContact O-N 3.14Å
330	K	32.3	Very low	33.7	Very low	147 Å²	147	113.7 Å²	113.7	64%	0.639	61%	0.614	S	S	*	*	H	α-helix	trans	-64.1	-41	170.6	-106.9	177.7	177.8	173.4	0	111.7	N327 Y333 Y334	N327-K330 PolarHBondContact O-N 2.99Å; K330-Y333 PolarHBondContact O-N 2.94Å; K330-Y334 VanDerWaalsContact O-CD2 3.27Å; K330-Y334 WeakPolarHBondContact O-CD2 3.16Å; K330-Y334 PolarHBondContact O-N 3.41Å; K330-Y334 VanDerWaalsContact O-N 3.17Å
331	Y	34.4	Very low	34.1	Very low	190 Å²	190	112.8 Å²	112.8	75%	0.745	60%	0.601	S	S	*	*	H	α-helix	trans	-66.1	-37.9	176.7	-110.5	-85	0	0	0	113	N327 A328 R335	N327-Y331 PolarHBondContact O-N 3.06Å; N327-Y331 VanDerWaalsContact O-N 3.13Å; A328-Y331 PolarHBondContact O-N 2.84Å; Y331-R335 WeakPolarHBondContact O-CB 3.16Å; Y331-R335 PolarHBondContact O-N 3.21Å
332	A	34.3	Very low	34.6	Very low	53 Å²	53	110.6 Å²	110.6	44%	0.438	59%	0.588	S	S	.	*	H	α-helix	trans	-62.7	-45.8	174.3	0	0	0	0	0	111.7	A328 T329 R335 V336	A328-A332 PolarHBondContact O-N 2.75Å; T329-A332 PolarHBondContact O-N 3.02Å; A332-R335 PolarHBondContact O-N 2.87Å; A332-V336 WeakPolarHBondContact O-CG2 3.22Å; A332-V336 PolarHBondContact O-N 2.77Å
333	Y	35.4	Very low	35	Very low	154 Å²	154	110.3 Å²	110.3	60%	0.604	58%	0.578	S	S	*	*	H	α-helix	trans	-60.1	-50.4	179.4	-169.2	-92.4	0	0	0	112.5	T329 K330 R335 V336 Q337	T329-Y333 PolarHBondContact O-N 3.33Å; T329-Y333 VanDerWaalsContact O-N 3.14Å; K330-Y333 PolarHBondContact O-N 2.94Å; Y333-R335 VanDerWaalsContact C-N 3.29Å; Y333-R335 PolarHBondContact O-N 2.88Å; Y333-V336 PolarHBondContact O-N 3.34Å; Y333-Q337 PolarHBondContact O-N 2.89Å
334	Y	37.8	Very low	35.4	Very low	161 Å²	161	109.4 Å²	109.4	63%	0.631	56%	0.564	S	S	*	*	H	α-helix	trans	-66.9	-28	177.3	-76.2	-65.5	0	0	0	113.6	K330 A338	K330-Y334 VanDerWaalsContact O-CD2 3.27Å; K330-Y334 WeakPolarHBondContact O-CD2 3.16Å; K330-Y334 PolarHBondContact O-N 3.41Å; K330-Y334 VanDerWaalsContact O-N 3.17Å; Y334-A338 WeakPolarHBondContact O-CB 3.3Å; Y334-A338 PolarHBondContact O-N 2.6Å; Y334-A338 VanDerWaalsContact O-N 3.1Å
335	R	33.8	Very low	35.9	Very low	169 Å²	169	107.1 Å²	107.1	64%	0.638	55%	0.551	S	S	*	*	H	α-helix	trans	-72.3	-44.1	176.6	-174.9	174.4	-178	164.3	1.8	112.2	Y331 A332 Y333 A338 E339	Y331-R335 WeakPolarHBondContact O-CB 3.16Å; Y331-R335 PolarHBondContact O-N 3.21Å; A332-R335 PolarHBondContact O-N 2.87Å; Y333-R335 VanDerWaalsContact C-N 3.29Å; Y333-R335 PolarHBondContact O-N 2.88Å; R335-A338 PolarHBondContact O-N 3.37Å; R335-E339 WeakPolarHBondContact CG-OE1 3.4Å; R335-E339 IonicContact NE-OE1 3.27Å; R335-E339 PolarHBondContact NE-OE1 2.87Å; R335-E339 WeakPolarHBondContact O-CG 3.38Å; R335-E339 PolarHBondContact O-N 2.96Å
336	V	35.5	Very low	36.2	Very low	91 Å²	91	105 Å²	105	55%	0.552	54%	0.539	S	S	*	.	H	α-helix	trans	-64.3	-42.4	174.9	174.5	0	0	0	0	110.7	A332 Y333 A338 E339 V340	A332-V336 WeakPolarHBondContact O-CG2 3.22Å; A332-V336 PolarHBondContact O-N 2.77Å; Y333-V336 PolarHBondContact O-N 3.34Å; V336-A338 PolarHBondContact O-N 2.97Å; V336-E339 PolarHBondContact O-N 3.11Å; V336-V340 HydrophobicContact CG1-CG2 4.42Å; V336-V340 WeakPolarHBondContact O-CG2 3.47Å; V336-V340 PolarHBondContact O-N 3.47Å
337	Q	35.5	Very low	36.4	Very low	91 Å²	91	105 Å²	105	43%	0.425	53%	0.534	S	S	.	.	H	α-helix	trans	-58.8	-45.9	176	-159.5	79.3	34.7	0	0	111.9	Y333 V340 D341	Y333-Q337 PolarHBondContact O-N 2.89Å; Q337-V340 PolarHBondContact O-N 3.06Å; Q337-D341 PolarHBondContact O-N 3.09Å
338	A	36.3	Very low	36.5	Very low	48 Å²	48	104.8 Å²	104.8	40%	0.397	53%	0.528	S	S	.	.	H	α-helix	trans	-66.8	-38	178.5	0	0	0	0	0	113	Y334 R335 V336 I342	Y334-A338 WeakPolarHBondContact O-CB 3.3Å; Y334-A338 PolarHBondContact O-N 2.6Å; Y334-A338 VanDerWaalsContact O-N 3.1Å; R335-A338 PolarHBondContact O-N 3.37Å; V336-A338 PolarHBondContact O-N 2.97Å; A338-I342 WeakPolarHBondContact O-CB 3.23Å; A338-I342 WeakPolarHBondContact O-CD1 3.32Å; A338-I342 WeakPolarHBondContact O-CG1 3.42Å; A338-I342 PolarHBondContact O-N 3.39Å
339	E	34.7	Very low	36.7	Very low	105 Å²	105	106.4 Å²	106.4	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-68	-34.2	175.8	-73.2	175.4	-163.2	0	0	111.6	R335 V336 L343	R335-E339 WeakPolarHBondContact CG-OE1 3.4Å; R335-E339 IonicContact NE-OE1 3.27Å; R335-E339 PolarHBondContact NE-OE1 2.87Å; R335-E339 WeakPolarHBondContact O-CG 3.38Å; R335-E339 PolarHBondContact O-N 2.96Å; V336-E339 PolarHBondContact O-N 3.11Å; E339-L343 WeakPolarHBondContact O-CB 3.28Å; E339-L343 PolarHBondContact O-N 3.49Å
340	V	37.1	Very low	36.6	Very low	69 Å²	69	107.9 Å²	107.9	42%	0.418	53%	0.53	S	S	.	.	H	α-helix	trans	-69	-43.4	173.4	170.5	0	0	0	0	112.5	V336 Q337 I342 L343 H344	V336-V340 HydrophobicContact CG1-CG2 4.42Å; V336-V340 WeakPolarHBondContact O-CG2 3.47Å; V336-V340 PolarHBondContact O-N 3.47Å; Q337-V340 PolarHBondContact O-N 3.06Å; V340-I342 VanDerWaalsContact C-N 3.33Å; V340-I342 PolarHBondContact O-N 3.05Å; V340-L343 WeakPolarHBondContact O-CB 3.29Å; V340-L343 PolarHBondContact O-N 3.34Å; V340-H344 PolarHBondContact O-N 3.27Å
341	D	36.7	Very low	37	Very low	98 Å²	98	104.5 Å²	104.5	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-64	-38.8	177.1	-72.6	-20.4	0	0	0	111.7	Q337 H344 A345	Q337-D341 PolarHBondContact O-N 3.09Å; D341-H344 PolarHBondContact O-N 2.92Å; D341-A345 PolarHBondContact O-N 3.46Å; D341-A345 VanDerWaalsContact O-N 3.09Å
342	I	39.6	Very low	37.2	Very low	102 Å²	102	99.1 Å²	99.1	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-65.4	-41.5	173.4	-70	165.9	0	0	0	110.8	A338 V340 H344 A345 I346	A338-I342 WeakPolarHBondContact O-CB 3.23Å; A338-I342 WeakPolarHBondContact O-CD1 3.32Å; A338-I342 WeakPolarHBondContact O-CG1 3.42Å; A338-I342 PolarHBondContact O-N 3.39Å; V340-I342 VanDerWaalsContact C-N 3.33Å; V340-I342 PolarHBondContact O-N 3.05Å; I342-H344 VanDerWaalsContact C-N 3.35Å; I342-H344 PolarHBondContact O-N 3.18Å; I342-A345 PolarHBondContact O-N 3.49Å; I342-I346 HydrophobicContact CG2-CD1 3.68Å; I342-I346 HydrophobicContact CG2-CG1 4.45Å; I342-I346 VanDerWaalsContact O-CG1 3.26Å; I342-I346 WeakPolarHBondContact O-CG1 3.44Å; I342-I346 PolarHBondContact O-N 3.36Å
343	L	37.4	Very low	37.3	Very low	87 Å²	87	99.3 Å²	99.3	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-42.3	176.5	-134.1	80.3	0	0	0	111.8	E339 V340 I346 I347	E339-L343 WeakPolarHBondContact O-CB 3.28Å; E339-L343 PolarHBondContact O-N 3.49Å; V340-L343 WeakPolarHBondContact O-CB 3.29Å; V340-L343 PolarHBondContact O-N 3.34Å; L343-I346 PolarHBondContact O-N 3.48Å; L343-I347 VanDerWaalsContact O-CG1 3.31Å; L343-I347 WeakPolarHBondContact O-CG1 3.37Å; L343-I347 PolarHBondContact O-N 2.88Å
344	H	38.1	Very low	37.3	Very low	127 Å²	127	94.6 Å²	94.6	59%	0.588	50%	0.496	S	S	*	.	H	α-helix	trans	-62.6	-45.9	178.3	-124.1	112.2	0	0	0	111.5	V340 D341 I342 I346 I347 Q348	V340-H344 PolarHBondContact O-N 3.27Å; D341-H344 PolarHBondContact O-N 2.92Å; I342-H344 VanDerWaalsContact C-N 3.35Å; I342-H344 PolarHBondContact O-N 3.18Å; H344-I346 PolarHBondContact O-N 2.86Å; H344-I347 PolarHBondContact O-N 3.21Å; H344-Q348 WeakPolarHBondContact O-CB 3.49Å; H344-Q348 PolarHBondContact O-N 3.47Å
345	A	41.1	Very low	37.2	Very low	54 Å²	54	90.4 Å²	90.4	45%	0.446	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-42.7	175.9	0	0	0	0	0	112.2	D341 I342 Q348 D349	D341-A345 PolarHBondContact O-N 3.46Å; D341-A345 VanDerWaalsContact O-N 3.09Å; I342-A345 PolarHBondContact O-N 3.49Å; A345-Q348 PolarHBondContact O-N 2.86Å; A345-D349 PolarHBondContact O-N 3.05Å
346	I	37.9	Very low	37.3	Very low	84 Å²	84	87.1 Å²	87.1	43%	0.431	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-39.2	177.6	-69.8	166.8	0	0	0	111.7	I342 L343 H344 M350	I342-I346 HydrophobicContact CG2-CD1 3.68Å; I342-I346 HydrophobicContact CG2-CG1 4.45Å; I342-I346 VanDerWaalsContact O-CG1 3.26Å; I342-I346 WeakPolarHBondContact O-CG1 3.44Å; I342-I346 PolarHBondContact O-N 3.36Å; L343-I346 PolarHBondContact O-N 3.48Å; H344-I346 PolarHBondContact O-N 2.86Å; I346-M350 HydrophobicContact CG2-SD 4.36Å; I346-M350 WeakPolarHBondContact O-CB 3.29Å; I346-M350 WeakPolarHBondContact O-CG 3.3Å; I346-M350 PolarHBondContact O-N 2.83Å
347	I	38.7	Very low	37.2	Very low	94 Å²	94	85.7 Å²	85.7	48%	0.482	48%	0.476	S	S	.	.	H	α-helix	trans	-67.7	-39.9	176.3	-69.4	164.7	0	0	0	110.4	L343 H344 M350 V351	L343-I347 VanDerWaalsContact O-CG1 3.31Å; L343-I347 WeakPolarHBondContact O-CG1 3.37Å; L343-I347 PolarHBondContact O-N 2.88Å; H344-I347 PolarHBondContact O-N 3.21Å; I347-M350 PolarHBondContact O-N 2.84Å; I347-V351 WeakPolarHBondContact O-CG2 3.16Å; I347-V351 PolarHBondContact O-N 2.89Å
348	Q	38.9	Very low	37.1	Very low	128 Å²	128	85.6 Å²	85.6	60%	0.598	48%	0.481	S	S	*	.	H	α-helix	trans	-65.8	-39.9	177.4	-141.2	168.5	3.9	0	0	111.7	H344 A345 V351 N352	H344-Q348 WeakPolarHBondContact O-CB 3.49Å; H344-Q348 PolarHBondContact O-N 3.47Å; A345-Q348 PolarHBondContact O-N 2.86Å; Q348-V351 PolarHBondContact O-N 3.27Å; Q348-N352 VanDerWaalsContact O-CB 3.32Å; Q348-N352 WeakPolarHBondContact O-CB 3.45Å; Q348-N352 PolarHBondContact O-N 3.27Å; Q348-N352 PolarHBondContact O-ND2 3.09Å; Q348-N352 VanDerWaalsContact O-ND2 3.13Å
349	D	39.5	Very low	36.7	Very low	109 Å²	109	90.5 Å²	90.5	58%	0.583	49%	0.49	S	S	*	.	H	α-helix	trans	-67.9	-37.4	171	-95.1	-0.7	0	0	0	112.7	A345 V351 N352 S353	A345-D349 PolarHBondContact O-N 3.05Å; D349-V351 PolarHBondContact O-N 3.31Å; D349-N352 PolarHBondContact O-N 2.67Å; D349-S353 VanDerWaalsContact O-CB 3.32Å; D349-S353 WeakPolarHBondContact O-CB 3.29Å; D349-S353 PolarHBondContact O-N 3.34Å; D349-S353 PolarHBondContact O-OG 3.02Å
350	M	34.7	Very low	36.6	Very low	105 Å²	105	89.1 Å²	89.1	52%	0.517	49%	0.488	S	S	.	.	H	α-helix	trans	-63.1	-41.7	174	-79.7	-176.7	60.2	0	0	112.1	I346 I347 A354 K928	I346-M350 HydrophobicContact CG2-SD 4.36Å; I346-M350 WeakPolarHBondContact O-CB 3.29Å; I346-M350 WeakPolarHBondContact O-CG 3.3Å; I346-M350 PolarHBondContact O-N 2.83Å; I347-M350 PolarHBondContact O-N 2.84Å; M350-A354 VanDerWaalsContact O-CB 3.29Å; M350-A354 WeakPolarHBondContact O-CB 3.41Å; M350-A354 PolarHBondContact O-N 3.36Å; M350-K928 PolarHBondContact SD-NZ 3.1Å
351	V	39.1	Very low	36.3	Very low	76 Å²	76	87.8 Å²	87.8	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-67.8	-42.9	175	171.2	0	0	0	0	110.8	I347 Q348 D349 A354 I355	I347-V351 WeakPolarHBondContact O-CG2 3.16Å; I347-V351 PolarHBondContact O-N 2.89Å; Q348-V351 PolarHBondContact O-N 3.27Å; D349-V351 PolarHBondContact O-N 3.31Å; V351-A354 PolarHBondContact O-N 3.12Å; V351-I355 HydrophobicContact CG1-CD1 3.63Å; V351-I355 HydrophobicContact CG1-CG1 4.41Å; V351-I355 WeakPolarHBondContact O-CB 3.3Å; V351-I355 VanDerWaalsContact O-CG1 3.22Å; V351-I355 WeakPolarHBondContact O-CG1 3.31Å; V351-I355 PolarHBondContact O-N 2.89Å
352	N	38.3	Very low	36	Very low	76 Å²	76	88.2 Å²	88.2	41%	0.406	49%	0.49	S	S	.	.	H	α-helix	trans	-65.1	-44	177.1	-75.4	-32.5	0	0	0	112.2	Q348 D349 I355 I356	Q348-N352 VanDerWaalsContact O-CB 3.32Å; Q348-N352 WeakPolarHBondContact O-CB 3.45Å; Q348-N352 PolarHBondContact O-N 3.27Å; Q348-N352 PolarHBondContact O-ND2 3.09Å; Q348-N352 VanDerWaalsContact O-ND2 3.13Å; D349-N352 PolarHBondContact O-N 2.67Å; N352-I355 CarbonylContact O-C 3.44Å; N352-I355 PolarHBondContact O-N 2.88Å; N352-I356 VanDerWaalsContact O-CB 3.26Å; N352-I356 WeakPolarHBondContact O-CB 3.48Å; N352-I356 WeakPolarHBondContact O-CD1 3.21Å; N352-I356 WeakPolarHBondContact O-CG1 3.47Å; N352-I356 PolarHBondContact O-N 3.37Å
353	S	37.9	Very low	35.4	Very low	57 Å²	57	90.3 Å²	90.3	40%	0.399	50%	0.496	S	S	.	.	H	α-helix	trans	-67.5	-35.7	176.4	-71.9	0	0	0	0	112.5	D349 I356 A357	D349-S353 VanDerWaalsContact O-CB 3.32Å; D349-S353 WeakPolarHBondContact O-CB 3.29Å; D349-S353 PolarHBondContact O-N 3.34Å; D349-S353 PolarHBondContact O-OG 3.02Å; S353-I356 PolarHBondContact O-N 3.49Å; S353-A357 VanDerWaalsContact O-CB 3.27Å; S353-A357 WeakPolarHBondContact O-CB 3.4Å; S353-A357 PolarHBondContact O-N 2.83Å
354	A	35.9	Very low	35	Very low	55 Å²	55	90.2 Å²	90.2	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-46.5	170.7	0	0	0	0	0	111.6	M350 V351 I356 A357 V358	M350-A354 VanDerWaalsContact O-CB 3.29Å; M350-A354 WeakPolarHBondContact O-CB 3.41Å; M350-A354 PolarHBondContact O-N 3.36Å; V351-A354 PolarHBondContact O-N 3.12Å; A354-I356 VanDerWaalsContact C-N 3.29Å; A354-I356 PolarHBondContact O-N 3.36Å; A354-A357 PolarHBondContact O-N 2.77Å; A354-V358 WeakPolarHBondContact O-CB 3.23Å; A354-V358 VanDerWaalsContact O-CG2 3.25Å; A354-V358 WeakPolarHBondContact O-CG2 3.43Å; A354-V358 PolarHBondContact O-N 2.83Å
355	I	35.5	Very low	34.6	Very low	73 Å²	73	88.9 Å²	88.9	37%	0.374	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-34.7	175.7	-71.4	169.6	0	0	0	111.4	V351 N352 R359	V351-I355 HydrophobicContact CG1-CD1 3.63Å; V351-I355 HydrophobicContact CG1-CG1 4.41Å; V351-I355 WeakPolarHBondContact O-CB 3.3Å; V351-I355 VanDerWaalsContact O-CG1 3.22Å; V351-I355 WeakPolarHBondContact O-CG1 3.31Å; V351-I355 PolarHBondContact O-N 2.89Å; N352-I355 CarbonylContact O-C 3.44Å; N352-I355 PolarHBondContact O-N 2.88Å; I355-R359 HydrophobicContact CG2-CG 4.44Å; I355-R359 WeakPolarHBondContact O-CB 3.24Å; I355-R359 VanDerWaalsContact O-CG 3.24Å; I355-R359 WeakPolarHBondContact O-CG 3.28Å; I355-R359 PolarHBondContact O-N 2.79Å
356	I	35.6	Very low	34	Very low	100 Å²	100	90.2 Å²	90.2	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-72.5	-45.8	176.4	-72.8	163.7	0	0	0	110.4	N352 S353 A354 V358 R359 T360	N352-I356 VanDerWaalsContact O-CB 3.26Å; N352-I356 WeakPolarHBondContact O-CB 3.48Å; N352-I356 WeakPolarHBondContact O-CD1 3.21Å; N352-I356 WeakPolarHBondContact O-CG1 3.47Å; N352-I356 PolarHBondContact O-N 3.37Å; S353-I356 PolarHBondContact O-N 3.49Å; A354-I356 VanDerWaalsContact C-N 3.29Å; A354-I356 PolarHBondContact O-N 3.36Å; I356-V358 PolarHBondContact O-N 3.11Å; I356-R359 CarbonylContact O-C 3.24Å; I356-R359 PolarHBondContact O-N 3.18Å; I356-R359 VanDerWaalsContact O-N 3.16Å; I356-T360 HydrophobicContact CG2-CG2 4.06Å; I356-T360 WeakPolarHBondContact O-CB 3.3Å; I356-T360 WeakPolarHBondContact O-CG2 3.48Å; I356-T360 PolarHBondContact O-N 3.23Å; I356-T360 PolarHBondContact O-OG1 2.91Å
357	A	33.2	Very low	33.5	Very low	61 Å²	61	89.4 Å²	89.4	50%	0.504	50%	0.504	S	S	.	.	H	α-helix	trans	-61.2	-42.9	176.6	0	0	0	0	0	112	S353 A354 T360 G361	S353-A357 VanDerWaalsContact O-CB 3.27Å; S353-A357 WeakPolarHBondContact O-CB 3.4Å; S353-A357 PolarHBondContact O-N 2.83Å; A354-A357 PolarHBondContact O-N 2.77Å; A357-T360 PolarHBondContact O-OG1 2.98Å; A357-G361 PolarHBondContact O-N 3.11Å
358	V	32.9	Very low	33	Very low	89 Å²	89	91.5 Å²	91.5	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-62.8	-48.2	171.4	172.1	0	0	0	0	110	A354 I356 T360 L362	A354-V358 WeakPolarHBondContact O-CB 3.23Å; A354-V358 VanDerWaalsContact O-CG2 3.25Å; A354-V358 WeakPolarHBondContact O-CG2 3.43Å; A354-V358 PolarHBondContact O-N 2.83Å; I356-V358 PolarHBondContact O-N 3.11Å; V358-T360 PolarHBondContact O-N 3.27Å; V358-L362 HydrophobicContact CG1-CD1 3.6Å; V358-L362 VanDerWaalsContact O-CB 3.28Å; V358-L362 WeakPolarHBondContact O-CB 3.41Å; V358-L362 WeakPolarHBondContact O-CD1 3.36Å; V358-L362 PolarHBondContact O-N 2.63Å
359	R	29.1	Very low	32.5	Very low	152 Å²	152	93.6 Å²	93.6	57%	0.574	52%	0.519	S	S	*	.	H	α-helix	trans	-67.6	-29.4	178.8	-82.4	177.1	164.2	168.1	-3	114.5	I355 I356 K363	I355-R359 HydrophobicContact CG2-CG 4.44Å; I355-R359 WeakPolarHBondContact O-CB 3.24Å; I355-R359 VanDerWaalsContact O-CG 3.24Å; I355-R359 WeakPolarHBondContact O-CG 3.28Å; I355-R359 PolarHBondContact O-N 2.79Å; I356-R359 CarbonylContact O-C 3.24Å; I356-R359 PolarHBondContact O-N 3.18Å; I356-R359 VanDerWaalsContact O-N 3.16Å; R359-K363 WeakPolarHBondContact O-CB 3.49Å; R359-K363 WeakPolarHBondContact O-CD 3.45Å; R359-K363 WeakPolarHBondContact O-CG 3.28Å; R359-K363 PolarHBondContact O-N 3.12Å
360	T	32.3	Very low	32	Very low	75 Å²	75	91.5 Å²	91.5	46%	0.46	52%	0.517	S	S	.	.	H	α-helix	trans	-80.5	-46.2	178.4	51.9	0	0	0	0	110.1	I356 A357 V358 L362 K363 T364	I356-T360 HydrophobicContact CG2-CG2 4.06Å; I356-T360 WeakPolarHBondContact O-CB 3.3Å; I356-T360 WeakPolarHBondContact O-CG2 3.48Å; I356-T360 PolarHBondContact O-N 3.23Å; I356-T360 PolarHBondContact O-OG1 2.91Å; A357-T360 PolarHBondContact O-OG1 2.98Å; V358-T360 PolarHBondContact O-N 3.27Å; T360-L362 VanDerWaalsContact C-N 3.31Å; T360-L362 PolarHBondContact O-N 2.97Å; T360-K363 PolarHBondContact O-N 3.04Å; T360-K363 VanDerWaalsContact O-N 3.09Å; T360-T364 PolarHBondContact O-N 3Å; T360-T364 PolarHBondContact O-OG1 3.26Å; T360-T364 VanDerWaalsContact O-OG1 3.06Å
361	G	29.9	Very low	31.7	Very low	41 Å²	41	94.1 Å²	94.1	42%	0.423	53%	0.528	S	S	.	.	H	α-helix	trans	-55.9	-42.9	172.2	0	0	0	0	0	112.9	A357	A357-G361 PolarHBondContact O-N 3.11Å
362	L	30	Very low	31.1	Very low	108 Å²	108	99.1 Å²	99.1	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-77.8	-19.6	175.3	-82.7	143.5	0	0	0	114.6	V358 T360 V366	V358-L362 HydrophobicContact CG1-CD1 3.6Å; V358-L362 VanDerWaalsContact O-CB 3.28Å; V358-L362 WeakPolarHBondContact O-CB 3.41Å; V358-L362 WeakPolarHBondContact O-CD1 3.36Å; V358-L362 PolarHBondContact O-N 2.63Å; T360-L362 VanDerWaalsContact C-N 3.31Å; T360-L362 PolarHBondContact O-N 2.97Å; L362-V366 HydrophobicContact CD2-CG2 4.26Å; L362-V366 WeakPolarHBondContact O-CB 3.25Å; L362-V366 WeakPolarHBondContact O-CG2 3.47Å
363	K	27	Very low	30.5	Very low	146 Å²	146	102.5 Å²	102.5	64%	0.635	56%	0.555	S	S	*	*	H	α-helix	trans	-94.2	-32.5	-179.3	-78.1	178.5	176.3	-172.2	0	114.7	R359 T360 A367	R359-K363 WeakPolarHBondContact O-CB 3.49Å; R359-K363 WeakPolarHBondContact O-CD 3.45Å; R359-K363 WeakPolarHBondContact O-CG 3.28Å; R359-K363 PolarHBondContact O-N 3.12Å; T360-K363 PolarHBondContact O-N 3.04Å; T360-K363 VanDerWaalsContact O-N 3.09Å; K363-A367 VanDerWaalsContact O-CB 3.29Å; K363-A367 WeakPolarHBondContact O-CB 3.5Å
364	T	30.1	Very low	30	Very low	84 Å²	84	105 Å²	105	52%	0.515	57%	0.569	S	S	.	*	H	α-helix	trans	-79.4	-39.2	-178.8	51.7	0	0	0	0	112.8	T360	T360-T364 PolarHBondContact O-N 3Å; T360-T364 PolarHBondContact O-OG1 3.26Å; T360-T364 VanDerWaalsContact O-OG1 3.06Å
365	N	28.6	Very low	29.4	Very low	100 Å²	100	111.2 Å²	111.2	54%	0.535	58%	0.581	S	S	.	*	H	α-helix	trans	-83.2	-42.7	-178.8	-72.3	-16.2	0	0	0	112.9	A367 L368 Y369	N365-A367 VanDerWaalsContact C-N 3.35Å; N365-A367 PolarHBondContact O-N 2.83Å; N365-L368 PolarHBondContact O-N 2.95Å; N365-Y369 WeakPolarHBondContact O-CD2 2.92Å; N365-Y369 PolarHBondContact O-N 3.37Å
366	V	28.3	Very low	29	Very low	81 Å²	81	118.1 Å²	118.1	49%	0.491	60%	0.603	S	S	.	*	H	α-helix	trans	-68.2	-32.9	-176.7	-176	0	0	0	0	112.4	L362 L368 A370	L362-V366 HydrophobicContact CD2-CG2 4.26Å; L362-V366 WeakPolarHBondContact O-CB 3.25Å; L362-V366 WeakPolarHBondContact O-CG2 3.47Å; V366-L368 PolarHBondContact O-N 3.12Å; V366-A370 VanDerWaalsContact O-CB 3.26Å; V366-A370 WeakPolarHBondContact O-CB 3.5Å; V366-A370 PolarHBondContact O-N 3.13Å
367	A	27.7	Very low	28.5	Very low	68 Å²	68	119.7 Å²	119.7	56%	0.562	62%	0.621	S	S	*	*	H	α-helix	trans	-69.1	-28.8	-178.1	0	0	0	0	0	114.1	K363 N365	K363-A367 VanDerWaalsContact O-CB 3.29Å; K363-A367 WeakPolarHBondContact O-CB 3.5Å; N365-A367 VanDerWaalsContact C-N 3.35Å; N365-A367 PolarHBondContact O-N 2.83Å
368	L	29.3	Very low	28.2	Very low	138 Å²	138	120 Å²	120	72%	0.723	63%	0.63	S	S	*	*	H	α-helix	trans	-88.6	-32.3	177.2	-94.8	153.1	0	0	0	112.6	N365 V366	N365-L368 PolarHBondContact O-N 2.95Å; V366-L368 PolarHBondContact O-N 3.12Å
369	Y	28	Very low	27.8	Very low	172 Å²	172	123.3 Å²	123.3	68%	0.675	65%	0.645	S	S	*	*	H	α-helix	trans	-76.3	-33	177.2	-87.7	-95.2	0	0	0	113.6	N365 Q371 K372	N365-Y369 WeakPolarHBondContact O-CD2 2.92Å; N365-Y369 PolarHBondContact O-N 3.37Å; Y369-Q371 PolarHBondContact O-N 3.34Å; Y369-K372 PolarHBondContact O-N 2.85Å
370	A	28.7	Very low	27.7	Very low	64 Å²	64	124.7 Å²	124.7	53%	0.529	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.7	-12.5	-177.9	0	0	0	0	0	115.5	V366 K526	V366-A370 VanDerWaalsContact O-CB 3.26Å; V366-A370 WeakPolarHBondContact O-CB 3.5Å; V366-A370 PolarHBondContact O-N 3.13Å; A370-K526 PolarHBondContact O-NZ 3.07Å; A370-K526 VanDerWaalsContact O-NZ 3.14Å
371	Q	28.7	Very low	27.4	Very low	161 Å²	161	126 Å²	126	75%	0.752	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-25	179.3	-74.6	-166.8	-10.9	0	0	114.5	Y369	Y369-Q371 PolarHBondContact O-N 3.34Å
372	K	26.1	Very low	27.6	Very low	180 Å²	180	126.3 Å²	126.3	78%	0.783	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-15.8	-164.3	-100.5	-178.5	176.8	178.1	0	118.4	Y369	Y369-K372 PolarHBondContact O-N 2.85Å
373	F	26.3	Very low	27.6	Very low	148 Å²	148	127.4 Å²	127.4	65%	0.649	67%	0.668	S	S	*	*			trans	-113.4	130	-175	-81.9	-84.7	0	0	0	114.9	R375	F373-R375 PolarHBondContact O-N 3.33Å
374	P	26.2	Very low	27.9	Very low	108 Å²	108	124.9 Å²	124.9	70%	0.701	66%	0.661	S	S	*	*			trans	-87.7	100.8	175.5	33.1	-31.5	0	0	0	112.1	R376	P374-R376 PolarHBondContact O-N 3.42Å
375	R	25.3	Very low	28.3	Very low	186 Å²	186	123 Å²	123	70%	0.702	65%	0.65	S	S	*	*	S	Bend	trans	9.8	80.9	152.9	-62.3	178.1	173.3	-167.2	-7.2	116.4	F373 G522	F373-R375 PolarHBondContact O-N 3.33Å; R375-G522 VanDerWaalsContact NH1-CA 3.34Å
376	R	25.3	Very low	28.8	Very low	219 Å²	219	121.2 Å²	121.2	83%	0.826	64%	0.644	S	S	*	*			trans	-140.1	1.3	173.9	-117.5	-177.1	-176.1	-178.7	0.5	117.6	P374	P374-R376 PolarHBondContact O-N 3.42Å
377	C	26.3	Very low	29.6	Very low	133 Å²	133	118.2 Å²	118.2	90%	0.899	63%	0.627	S	S	*	*	S	Bend	trans	-111.1	123.4	163.6	-63.6	0	0	0	0	108.2
378	G	26.5	Very low	30.2	Very low	67 Å²	67	117.6 Å²	117.6	69%	0.691	61%	0.612	S	S	*	*			trans	-81	133.4	179.9	0	0	0	0	0	111.6	Q380	G378-Q380 PolarHBondContact O-N 3.07Å
379	N	25.4	Very low	30.7	Very low	159 Å²	159	113.6 Å²	113.6	85%	0.85	60%	0.6	S	S	*	*			trans	2.2	71.3	163.5	-60	-1.2	0	0	0	117.8
380	Q	26.3	Very low	31.6	Very low	180 Å²	180	107.9 Å²	107.9	84%	0.841	59%	0.593	S	S	*	*			trans	-112.5	69.4	162.4	-75.6	-169.3	-19.9	0	0	109.7	G378	G378-Q380 PolarHBondContact O-N 3.07Å
381	T	26.5	Very low	32.4	Very low	102 Å²	102	107.3 Å²	107.3	63%	0.626	58%	0.58	S	S	*	*			trans	-67.4	128.4	158.8	42.8	0	0	0	0	108.3	V383 N384	T381-V383 PolarHBondContact O-N 2.83Å; T381-N384 PolarHBondContact O-N 3.03Å; T381-N384 VanDerWaalsContact O-N 3.09Å
382	I	32.8	Very low	33.4	Very low	48 Å²	48	103.6 Å²	103.6	25%	0.246	57%	0.569	C	S	.	*	G	3₁₀ helix	trans	-61.3	-20.2	-155.9	-63.8	159.3	0	0	0	114.7	N384 T385 S907 D911	I382-N384 PolarHBondContact O-N 2.66Å; I382-N384 VanDerWaalsContact O-N 3.15Å; I382-T385 PolarHBondContact O-N 3.04Å; I382-T385 PolarHBondContact O-OG1 3.41Å; I382-S907 WeakPolarHBondContact CD1-O 3.47Å; I382-D911 WeakPolarHBondContact CG2-OD1 3.48Å; I382-D911 WeakPolarHBondContact CG2-OD2 3.47Å
383	V	30	Very low	34.5	Very low	131 Å²	131	99.7 Å²	99.7	79%	0.794	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-58.4	-24.6	175	-173.2	0	0	0	0	113.1	T381 T385	T381-V383 PolarHBondContact O-N 2.83Å; V383-T385 PolarHBondContact O-N 3.23Å
384	N	33.9	Very low	35.7	Very low	93 Å²	93	96 Å²	96	50%	0.497	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-80.2	29.6	179.9	-75.2	19.1	0	0	0	114.1	T381 I382 P386	T381-N384 PolarHBondContact O-N 3.03Å; T381-N384 VanDerWaalsContact O-N 3.09Å; I382-N384 PolarHBondContact O-N 2.66Å; I382-N384 VanDerWaalsContact O-N 3.15Å; N384-P386 VanDerWaalsContact O-CD 3.28Å; N384-P386 WeakPolarHBondContact O-CD 3.33Å
385	T	38.6	Very low	37	Very low	44 Å²	44	94.2 Å²	94.2	27%	0.27	54%	0.538	S	S	.	.			trans	-102.3	95.7	168.6	45.5	0	0	0	0	110.1	I382 V383 S387 M388	I382-T385 PolarHBondContact O-N 3.04Å; I382-T385 PolarHBondContact O-OG1 3.41Å; V383-T385 PolarHBondContact O-N 3.23Å; T385-S387 PolarHBondContact O-N 3.49Å; T385-M388 WeakPolarHBondContact O-CB 3.39Å; T385-M388 PolarHBondContact O-N 3.13Å; T385-M388 VanDerWaalsContact OG1-CG 3.24Å; T385-M388 WeakPolarHBondContact OG1-CG 3.29Å
386	P	39.7	Very low	38.2	Very low	64 Å²	64	90 Å²	90	42%	0.416	53%	0.529	S	S	.	.	H	α-helix	trans	-66.7	-13.3	-167.6	21.3	-31.8	0	0	0	115.3	N384 F624	N384-P386 VanDerWaalsContact O-CD 3.28Å; N384-P386 WeakPolarHBondContact O-CD 3.33Å; P386-F624 HydrophobicContact CB-CD1 3.94Å; P386-F624 HydrophobicContact CB-CE1 3.58Å; P386-F624 HydrophobicContact CB-CZ 3.97Å; P386-F624 HydrophobicContact CG-CD1 3.76Å; P386-F624 HydrophobicContact CG-CD2 3.95Å; P386-F624 HydrophobicContact CG-CE1 3.32Å; P386-F624 HydrophobicContact CG-CE2 3.53Å; P386-F624 HydrophobicContact CG-CG 4.06Å; P386-F624 HydrophobicContact CG-CZ 3.2Å
387	S	45.1	Very low	39.5	Very low	18 Å²	18	84.9 Å²	84.9	13%	0.126	51%	0.51	C	S	.	.	H	α-helix	trans	-72	-29.3	168.3	53.8	0	0	0	0	113	T385	T385-S387 PolarHBondContact O-N 3.49Å
388	M	39.2	Very low	40.9	Very low	54 Å²	54	83.1 Å²	83.1	27%	0.266	49%	0.491	S	S	.	.	H	α-helix	trans	-71.6	-40.1	178.5	-65.9	-63	-127.3	0	0	111.4	T385 G390 L391 T392 V1128	T385-M388 WeakPolarHBondContact O-CB 3.39Å; T385-M388 PolarHBondContact O-N 3.13Å; T385-M388 VanDerWaalsContact OG1-CG 3.24Å; T385-M388 WeakPolarHBondContact OG1-CG 3.29Å; M388-G390 PolarHBondContact O-N 3.41Å; M388-L391 PolarHBondContact O-N 3.5Å; M388-T392 WeakPolarHBondContact O-CG2 3.41Å; M388-T392 PolarHBondContact O-N 3.35Å; M388-T392 PolarHBondContact O-OG1 3.48Å; M388-V1128 HydrophobicContact SD-CG2 4.02Å
389	A	40.9	Very low	42.1	Very low	55 Å²	55	83.6 Å²	83.6	46%	0.455	47%	0.474	S	S	.	.	H	α-helix	trans	-55.5	-36.8	176.4	0	0	0	0	0	112.8	L391 T392 V393	A389-L391 PolarHBondContact O-N 2.88Å; A389-T392 WeakPolarHBondContact CA-OG1 3.16Å; A389-V393 WeakPolarHBondContact O-CG2 3.39Å; A389-V393 PolarHBondContact O-N 3.09Å
390	G	45.8	Very low	43.3	Very low	51 Å²	51	77.8 Å²	77.8	53%	0.526	44%	0.443	S	S	.	.	H	α-helix	trans	-66.3	-11.4	176	0	0	0	0	0	115.3	M388 P394	M388-G390 PolarHBondContact O-N 3.41Å; G390-P394 WeakPolarHBondContact O-CD 2.97Å; G390-P394 WeakPolarHBondContact O-CG 3.41Å
391	L	46.3	Very low	44.3	Very low	52 Å²	52	76.5 Å²	76.5	27%	0.272	43%	0.431	S	S	.	.	H	α-helix	trans	-121.9	-33.9	175.2	-89.2	105.6	0	0	0	114.6	M388 A389 V393 P394 V395 V1128 V1132	M388-L391 PolarHBondContact O-N 3.5Å; A389-L391 PolarHBondContact O-N 2.88Å; L391-V393 PolarHBondContact O-N 3.15Å; L391-P394 WeakPolarHBondContact O-CD 3.12Å; L391-V395 WeakPolarHBondContact O-CB 3.37Å; L391-V395 VanDerWaalsContact O-CG2 3.26Å; L391-V395 WeakPolarHBondContact O-CG2 3.43Å; L391-V395 PolarHBondContact O-N 3.4Å; L391-V1128 HydrophobicContact CB-CG2 4.43Å; L391-V1128 HydrophobicContact CD1-CB 4.3Å; L391-V1128 HydrophobicContact CD1-CG1 3.44Å; L391-V1128 VanDerWaalsContact CD1-CG1 3.44Å; L391-V1128 HydrophobicContact CD1-CG2 3.87Å; L391-V1128 HydrophobicContact CD2-CB 4.47Å; L391-V1128 HydrophobicContact CD2-CG1 3.67Å; L391-V1128 HydrophobicContact CD2-CG2 4.35Å; L391-V1128 HydrophobicContact CG-CG1 4.15Å; L391-V1128 HydrophobicContact CG-CG2 4.43Å; L391-V1132 HydrophobicContact CD2-CG2 3.82Å
392	T	48.2	Very low	45.6	Very low	83 Å²	83	77.2 Å²	77.2	51%	0.509	43%	0.43	S	S	.	.	H	α-helix	trans	-59.7	-37	174.8	54	0	0	0	0	110.8	M388 A389 L396	M388-T392 WeakPolarHBondContact O-CG2 3.41Å; M388-T392 PolarHBondContact O-N 3.35Å; M388-T392 PolarHBondContact O-OG1 3.48Å; A389-T392 WeakPolarHBondContact CA-OG1 3.16Å; T392-L396 WeakPolarHBondContact O-CB 3.4Å; T392-L396 PolarHBondContact O-N 3.04Å
393	V	50.6	Low	46.4	Very low	99 Å²	99	77.4 Å²	77.4	60%	0.6	43%	0.431	S	S	*	.	H	α-helix	trans	-67.1	-53.2	175.8	175.5	0	0	0	0	112.1	A389 L391 V395 L396 Y397	A389-V393 WeakPolarHBondContact O-CG2 3.39Å; A389-V393 PolarHBondContact O-N 3.09Å; L391-V393 PolarHBondContact O-N 3.15Å; V393-V395 PolarHBondContact O-N 3Å; V393-L396 PolarHBondContact O-N 3.36Å; V393-Y397 WeakPolarHBondContact O-CB 3.41Å; V393-Y397 PolarHBondContact O-N 3.41Å
394	P	51	Low	47.3	Very low	69 Å²	69	71.4 Å²	71.4	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-59.3	-38.3	172.5	-30.4	36.4	0	0	0	116	G390 L391 Y397 L398	G390-P394 WeakPolarHBondContact O-CD 2.97Å; G390-P394 WeakPolarHBondContact O-CG 3.41Å; L391-P394 WeakPolarHBondContact O-CD 3.12Å; P394-Y397 PolarHBondContact O-N 3.36Å; P394-L398 WeakPolarHBondContact O-CB 3.42Å; P394-L398 PolarHBondContact O-N 3.04Å
395	V	52.3	Low	48	Very low	71 Å²	71	68.7 Å²	68.7	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-70	-44.5	179.2	171.5	0	0	0	0	110.5	L391 V393 Y397 L398 F399	L391-V395 WeakPolarHBondContact O-CB 3.37Å; L391-V395 VanDerWaalsContact O-CG2 3.26Å; L391-V395 WeakPolarHBondContact O-CG2 3.43Å; L391-V395 PolarHBondContact O-N 3.4Å; V393-V395 PolarHBondContact O-N 3Å; V395-Y397 VanDerWaalsContact C-N 3.31Å; V395-Y397 PolarHBondContact O-N 3.41Å; V395-L398 PolarHBondContact O-N 3Å; V395-F399 WeakPolarHBondContact O-CB 3.38Å; V395-F399 PolarHBondContact O-N 3.12Å
396	L	51.3	Low	48.4	Very low	98 Å²	98	70.5 Å²	70.5	51%	0.513	39%	0.394	S	S	.	.	H	α-helix	trans	-61.4	-40.6	172.9	-176.8	64	0	0	0	111.2	T392 V393 F399 L400	T392-L396 WeakPolarHBondContact O-CB 3.4Å; T392-L396 PolarHBondContact O-N 3.04Å; V393-L396 PolarHBondContact O-N 3.36Å; L396-F399 PolarHBondContact O-N 3.03Å; L396-L400 HydrophobicContact CG-CD1 4.15Å; L396-L400 WeakPolarHBondContact O-CB 3.3Å; L396-L400 VanDerWaalsContact O-CG 3.23Å; L396-L400 WeakPolarHBondContact O-CG 3.28Å; L396-L400 PolarHBondContact O-N 2.9Å
397	Y	53.3	Low	48.8	Very low	112 Å²	112	68.6 Å²	68.6	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-45.6	175.1	177.8	-91.7	0	0	0	112.4	V393 P394 V395 L400 R401 I432	V393-Y397 WeakPolarHBondContact O-CB 3.41Å; V393-Y397 PolarHBondContact O-N 3.41Å; P394-Y397 PolarHBondContact O-N 3.36Å; V395-Y397 VanDerWaalsContact C-N 3.31Å; V395-Y397 PolarHBondContact O-N 3.41Å; Y397-L400 PolarHBondContact O-N 2.99Å; Y397-R401 VanDerWaalsContact O-CB 3.31Å; Y397-R401 WeakPolarHBondContact O-CB 3.28Å; Y397-R401 PolarHBondContact O-N 3.36Å; Y397-I432 HydrophobicContact CD2-CD1 4.4Å; Y397-I432 HydrophobicContact CE2-CD1 3.47Å; Y397-I432 VanDerWaalsContact CE2-CD1 3.47Å
398	L	56.1	Low	49	Very low	96 Å²	96	69.9 Å²	69.9	50%	0.503	39%	0.391	S	S	.	.	H	α-helix	trans	-62.7	-43.8	176.4	-171.2	74.9	0	0	0	111.1	P394 V395 R401 L402	P394-L398 WeakPolarHBondContact O-CB 3.42Å; P394-L398 PolarHBondContact O-N 3.04Å; V395-L398 PolarHBondContact O-N 3Å; L398-R401 PolarHBondContact O-N 2.88Å; L398-L402 HydrophobicContact CG-CD1 4.2Å; L398-L402 WeakPolarHBondContact O-CB 3.1Å; L398-L402 WeakPolarHBondContact O-CG 3.29Å; L398-L402 PolarHBondContact O-N 3.34Å
399	F	51.1	Low	49.4	Very low	76 Å²	76	71.2 Å²	71.2	33%	0.333	41%	0.41	S	S	.	.	H	α-helix	trans	-61.2	-47.7	177	-179.5	-107.6	0	0	0	112.2	V395 L396 R401 L402 L403	V395-F399 WeakPolarHBondContact O-CB 3.38Å; V395-F399 PolarHBondContact O-N 3.12Å; L396-F399 PolarHBondContact O-N 3.03Å; F399-R401 VanDerWaalsContact C-N 3.3Å; F399-R401 PolarHBondContact O-N 3.35Å; F399-L402 PolarHBondContact O-N 2.92Å; F399-L403 HydrophobicContact CD1-CD1 3.77Å; F399-L403 HydrophobicContact CE1-CD1 3.39Å; F399-L403 HydrophobicContact CE2-CD1 4.19Å; F399-L403 HydrophobicContact CG-CD1 4.33Å; F399-L403 HydrophobicContact CZ-CD1 3.63Å; F399-L403 WeakPolarHBondContact O-CB 2.96Å; F399-L403 PolarHBondContact O-N 3.27Å
400	L	49.8	Very low	49.7	Very low	38 Å²	38	71 Å²	71	20%	0.199	41%	0.405	C	S	.	.	H	α-helix	trans	-60.9	-38.1	174.3	-71.5	170.9	0	0	0	112	L396 Y397 G404 M424	L396-L400 HydrophobicContact CG-CD1 4.15Å; L396-L400 WeakPolarHBondContact O-CB 3.3Å; L396-L400 VanDerWaalsContact O-CG 3.23Å; L396-L400 WeakPolarHBondContact O-CG 3.28Å; L396-L400 PolarHBondContact O-N 2.9Å; Y397-L400 PolarHBondContact O-N 2.99Å; L400-G404 PolarHBondContact O-N 2.87Å; L400-M424 HydrophobicContact CD2-CE 3.59Å
401	R	48.8	Very low	49.6	Very low	152 Å²	152	74 Å²	74	57%	0.574	40%	0.404	S	S	*	.	H	α-helix	trans	-69.4	-38.8	177.6	-168.2	176.7	-174.9	-179.1	2.3	112.6	Y397 L398 F399 G404 G405	Y397-R401 VanDerWaalsContact O-CB 3.31Å; Y397-R401 WeakPolarHBondContact O-CB 3.28Å; Y397-R401 PolarHBondContact O-N 3.36Å; L398-R401 PolarHBondContact O-N 2.88Å; F399-R401 VanDerWaalsContact C-N 3.3Å; F399-R401 PolarHBondContact O-N 3.35Å; R401-G404 PolarHBondContact O-N 3.4Å; R401-G405 PolarHBondContact O-N 3.03Å
402	L	53.4	Low	49.4	Very low	118 Å²	118	81.7 Å²	81.7	62%	0.618	44%	0.435	S	S	*	.	H	α-helix	trans	-67.4	-42.7	174.5	-73.4	168.9	0	0	0	111.6	L398 F399 G404 G405 F406	L398-L402 HydrophobicContact CG-CD1 4.2Å; L398-L402 WeakPolarHBondContact O-CB 3.1Å; L398-L402 WeakPolarHBondContact O-CG 3.29Å; L398-L402 PolarHBondContact O-N 3.34Å; F399-L402 PolarHBondContact O-N 2.92Å; L402-G404 VanDerWaalsContact C-N 3.33Å; L402-G404 PolarHBondContact O-N 2.96Å; L402-G405 PolarHBondContact O-N 2.88Å; L402-F406 WeakPolarHBondContact O-CB 3.37Å; L402-F406 PolarHBondContact O-N 2.84Å
403	L	49.3	Very low	49.4	Very low	52 Å²	52	83 Å²	83	27%	0.272	44%	0.439	S	S	.	.	H	α-helix	trans	-59.2	-43.8	172	-82.5	163.7	0	0	0	111.6	F399 F406 V407 M424	F399-L403 HydrophobicContact CD1-CD1 3.77Å; F399-L403 HydrophobicContact CE1-CD1 3.39Å; F399-L403 HydrophobicContact CE2-CD1 4.19Å; F399-L403 HydrophobicContact CG-CD1 4.33Å; F399-L403 HydrophobicContact CZ-CD1 3.63Å; F399-L403 WeakPolarHBondContact O-CB 2.96Å; F399-L403 PolarHBondContact O-N 3.27Å; L403-F406 PolarHBondContact O-N 2.92Å; L403-V407 WeakPolarHBondContact O-CG2 3.36Å; L403-V407 PolarHBondContact O-N 2.91Å; L403-M424 HydrophobicContact CB-CE 4.36Å; L403-M424 HydrophobicContact CD1-CE 3.71Å
404	G	47.7	Very low	49.5	Very low	5 Å²	5	86.2 Å²	86.2	5%	0.052	44%	0.442	C	S	.	.	H	α-helix	trans	-59.1	-46.2	174.1	0	0	0	0	0	114.2	L400 R401 L402 F406 V407 S408	L400-G404 PolarHBondContact O-N 2.87Å; R401-G404 PolarHBondContact O-N 3.4Å; L402-G404 VanDerWaalsContact C-N 3.33Å; L402-G404 PolarHBondContact O-N 2.96Å; G404-F406 VanDerWaalsContact C-N 3.3Å; G404-F406 PolarHBondContact O-N 2.65Å; G404-V407 PolarHBondContact O-N 2.95Å; G404-S408 PolarHBondContact O-N 3.25Å; G404-S408 VanDerWaalsContact O-N 3.15Å
405	G	49.9	Very low	49.3	Very low	36 Å²	36	90.2 Å²	90.2	37%	0.371	45%	0.454	S	S	.	.	H	α-helix	trans	-59.6	-40.8	173.9	0	0	0	0	0	112.3	R401 L402 S408 A409	R401-G405 PolarHBondContact O-N 3.03Å; L402-G405 PolarHBondContact O-N 2.88Å; G405-S408 PolarHBondContact O-N 3.29Å; G405-S408 PolarHBondContact O-OG 3.02Å; G405-A409 PolarHBondContact O-N 2.96Å
406	F	47.5	Very low	49.1	Very low	81 Å²	81	89.8 Å²	89.8	36%	0.355	45%	0.452	S	S	.	.	H	α-helix	trans	-68.2	-39.4	178.7	-166.8	-95.6	0	0	0	113	L402 L403 G404 S408 A409 S410	L402-F406 WeakPolarHBondContact O-CB 3.37Å; L402-F406 PolarHBondContact O-N 2.84Å; L403-F406 PolarHBondContact O-N 2.92Å; G404-F406 VanDerWaalsContact C-N 3.3Å; G404-F406 PolarHBondContact O-N 2.65Å; F406-S408 VanDerWaalsContact C-N 3.28Å; F406-S408 PolarHBondContact O-N 3.37Å; F406-A409 PolarHBondContact O-N 3.26Å; F406-A409 VanDerWaalsContact O-N 3.17Å; F406-S410 WeakPolarHBondContact CE1-OG 3.22Å; F406-S410 VanDerWaalsContact O-CB 3.3Å; F406-S410 WeakPolarHBondContact O-CB 3.35Å; F406-S410 PolarHBondContact O-N 2.83Å; F406-S410 PolarHBondContact O-OG 3.3Å
407	V	47.5	Very low	48.8	Very low	24 Å²	24	87.1 Å²	87.1	15%	0.145	44%	0.437	C	S	.	.	H	α-helix	trans	-58.5	-40.8	172.8	169.8	0	0	0	0	110.8	L403 G404 A409 M417	L403-V407 WeakPolarHBondContact O-CG2 3.36Å; L403-V407 PolarHBondContact O-N 2.91Å; G404-V407 PolarHBondContact O-N 2.95Å; V407-A409 VanDerWaalsContact C-N 3.29Å; V407-A409 PolarHBondContact O-N 3.25Å; V407-M417 HydrophobicContact CG1-CG 3.79Å
408	S	48.2	Very low	48.8	Very low	46 Å²	46	86 Å²	86	32%	0.322	44%	0.438	S	S	.	.	H	α-helix	trans	-68.9	-20.6	177.5	77	0	0	0	0	115.5	G404 G405 F406	G404-S408 PolarHBondContact O-N 3.25Å; G404-S408 VanDerWaalsContact O-N 3.15Å; G405-S408 PolarHBondContact O-N 3.29Å; G405-S408 PolarHBondContact O-OG 3.02Å; F406-S408 VanDerWaalsContact C-N 3.28Å; F406-S408 PolarHBondContact O-N 3.37Å
409	A	48.3	Very low	48.5	Very low	82 Å²	82	86.6 Å²	86.6	68%	0.678	44%	0.438	S	S	*	.	H	α-helix	trans	-100.6	-13	-173.3	0	0	0	0	0	114.2	G405 F406 V407	G405-A409 PolarHBondContact O-N 2.96Å; F406-A409 PolarHBondContact O-N 3.26Å; F406-A409 VanDerWaalsContact O-N 3.17Å; V407-A409 VanDerWaalsContact C-N 3.29Å; V407-A409 PolarHBondContact O-N 3.25Å
410	S	46.7	Very low	48.3	Very low	50 Å²	50	84.5 Å²	84.5	35%	0.35	44%	0.435	S	S	.	.	H	α-helix	trans	-120.2	-7.4	-157.5	-52.9	0	0	0	0	116.3	F406	F406-S410 WeakPolarHBondContact CE1-OG 3.22Å; F406-S410 VanDerWaalsContact O-CB 3.3Å; F406-S410 WeakPolarHBondContact O-CB 3.35Å; F406-S410 PolarHBondContact O-N 2.83Å; F406-S410 PolarHBondContact O-OG 3.3Å
411	F	43.7	Very low	48.2	Very low	115 Å²	115	83.9 Å²	83.9	50%	0.504	43%	0.432	S	S	.	.			trans	-137.2	126.5	-173.6	-69.3	-80.3	0	0	0	113.1	V416	F411-V416 HydrophobicContact CD1-CG1 4.15Å; F411-V416 HydrophobicContact CE1-CG1 4.16Å
412	F	43.4	Very low	48.2	Very low	212 Å²	212	82.2 Å²	82.2	93%	0.93	43%	0.434	S	S	*	.	S	Bend	trans	-85.2	-9	169.5	-88.8	-91.7	0	0	0	113
413	D	48	Very low	47.9	Very low	110 Å²	110	81 Å²	81	59%	0.588	44%	0.435	S	S	*	.			trans	-99.9	106.4	-177.6	-81.7	-53.1	0	0	0	112.7	H415 V416 M417	D413-H415 PolarHBondContact O-N 3.04Å; D413-H415 VanDerWaalsContact O-N 3.15Å; D413-V416 HydrophobicContact CB-CB 4.5Å; D413-V416 HydrophobicContact CB-CG2 4.12Å; D413-V416 PolarHBondContact O-N 3.46Å; D413-V416 VanDerWaalsContact O-N 3.15Å; D413-M417 PolarHBondContact O-N 2.89Å
414	Y	51.7	Low	47.7	Very low	168 Å²	168	81.5 Å²	81.5	66%	0.659	44%	0.437	S	S	*	.	H	α-helix	trans	-51.8	-35.6	175.9	-71	-88.7	0	0	0	113.6	V416 M417 I418	Y414-V416 PolarHBondContact O-N 3.36Å; Y414-M417 HydrophobicContact CD1-CE 4.3Å; Y414-M417 PolarHBondContact O-N 3.25Å; Y414-I418 WeakPolarHBondContact O-CG1 3.5Å; Y414-I418 PolarHBondContact O-N 2.87Å
415	H	46.6	Very low	47.7	Very low	153 Å²	153	88.5 Å²	88.5	71%	0.708	47%	0.466	S	S	*	.	H	α-helix	trans	-64.4	-39.6	-179.1	-108.9	-65.2	0	0	0	113.2	D413 Q419	D413-H415 PolarHBondContact O-N 3.04Å; D413-H415 VanDerWaalsContact O-N 3.15Å; H415-Q419 PolarHBondContact O-N 2.59Å
416	V	48.6	Very low	47.7	Very low	62 Å²	62	90.6 Å²	90.6	38%	0.376	47%	0.473	S	S	.	.	H	α-helix	trans	-73.2	-37.4	178.8	-178	0	0	0	0	110.1	F411 D413 Y414 Q419 A420	F411-V416 HydrophobicContact CD1-CG1 4.15Å; F411-V416 HydrophobicContact CE1-CG1 4.16Å; D413-V416 HydrophobicContact CB-CB 4.5Å; D413-V416 HydrophobicContact CB-CG2 4.12Å; D413-V416 PolarHBondContact O-N 3.46Å; D413-V416 VanDerWaalsContact O-N 3.15Å; Y414-V416 PolarHBondContact O-N 3.36Å; V416-Q419 PolarHBondContact O-N 3.21Å; V416-A420 WeakPolarHBondContact O-CB 2.84Å; V416-A420 PolarHBondContact O-N 3.34Å
417	M	45.1	Very low	48	Very low	41 Å²	41	90.1 Å²	90.1	20%	0.202	47%	0.472	C	S	.	.	H	α-helix	trans	-60.3	-45.9	174.4	-170.8	179.8	73.6	0	0	111.9	V407 D413 Y414 A420 L421 L437	V407-M417 HydrophobicContact CG1-CG 3.79Å; D413-M417 PolarHBondContact O-N 2.89Å; Y414-M417 HydrophobicContact CD1-CE 4.3Å; Y414-M417 PolarHBondContact O-N 3.25Å; M417-A420 PolarHBondContact O-N 2.91Å; M417-L421 HydrophobicContact CG-CD1 4.07Å; M417-L421 WeakPolarHBondContact O-CB 3.47Å; M417-L421 VanDerWaalsContact O-CG 3.3Å; M417-L421 WeakPolarHBondContact O-CG 3.39Å; M417-L421 PolarHBondContact O-N 3.35Å; M417-L437 HydrophobicContact SD-CD1 4.01Å; M417-L437 HydrophobicContact SD-CD2 4.26Å
418	I	53.1	Low	48	Very low	88 Å²	88	96.2 Å²	96.2	45%	0.451	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-42.8	178.8	-69.2	165.4	0	0	0	111.4	Y414 L421 L422	Y414-I418 WeakPolarHBondContact O-CG1 3.5Å; Y414-I418 PolarHBondContact O-N 2.87Å; I418-L421 PolarHBondContact O-N 3.05Å; I418-L422 HydrophobicContact CG2-CD1 3.87Å; I418-L422 WeakPolarHBondContact O-CB 3.4Å; I418-L422 WeakPolarHBondContact O-CG 3.45Å; I418-L422 PolarHBondContact O-N 3.19Å
419	Q	49.7	Very low	48.1	Very low	109 Å²	109	94.7 Å²	94.7	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-66.2	-38.6	176.4	-74.6	-177.8	-18.1	0	0	112.7	H415 V416 L422 S423	H415-Q419 PolarHBondContact O-N 2.59Å; V416-Q419 PolarHBondContact O-N 3.21Å; Q419-L422 PolarHBondContact O-N 2.99Å; Q419-S423 PolarHBondContact O-N 2.84Å; Q419-S423 VanDerWaalsContact O-N 3.16Å
420	A	46.6	Very low	48.2	Very low	33 Å²	33	92.5 Å²	92.5	27%	0.273	47%	0.465	S	S	.	.	H	α-helix	trans	-62.9	-46.6	174.3	0	0	0	0	0	111.3	V416 M417 L422 S423	V416-A420 WeakPolarHBondContact O-CB 2.84Å; V416-A420 PolarHBondContact O-N 3.34Å; M417-A420 PolarHBondContact O-N 2.91Å; A420-L422 PolarHBondContact O-N 2.84Å; A420-S423 PolarHBondContact O-N 2.8Å; A420-S423 PolarHBondContact O-OG 2.83Å
421	L	48.7	Very low	48.5	Very low	24 Å²	24	93.3 Å²	93.3	13%	0.126	47%	0.468	C	S	.	.	H	α-helix	trans	-59.8	-43.6	176.2	-72.9	165.1	0	0	0	112.4	M417 I418 S423 M424 I430 V433 I434	M417-L421 HydrophobicContact CG-CD1 4.07Å; M417-L421 WeakPolarHBondContact O-CB 3.47Å; M417-L421 VanDerWaalsContact O-CG 3.3Å; M417-L421 WeakPolarHBondContact O-CG 3.39Å; M417-L421 PolarHBondContact O-N 3.35Å; I418-L421 PolarHBondContact O-N 3.05Å; L421-S423 PolarHBondContact O-N 3.23Å; L421-M424 PolarHBondContact O-N 2.99Å; L421-I430 HydrophobicContact CD2-CG2 4.43Å; L421-I430 WeakPolarHBondContact O-CD1 3.48Å; L421-V433 HydrophobicContact CD2-CB 4.19Å; L421-V433 HydrophobicContact CD2-CG1 3.96Å; L421-I434 HydrophobicContact CD1-CG1 4.44Å
422	L	49.6	Very low	48.8	Very low	118 Å²	118	90.4 Å²	90.4	62%	0.618	46%	0.457	S	S	*	.	H	α-helix	trans	-65.9	-23.3	177.5	-76	165.4	0	0	0	113.9	I418 Q419 A420 M424	I418-L422 HydrophobicContact CG2-CD1 3.87Å; I418-L422 WeakPolarHBondContact O-CB 3.4Å; I418-L422 WeakPolarHBondContact O-CG 3.45Å; I418-L422 PolarHBondContact O-N 3.19Å; Q419-L422 PolarHBondContact O-N 2.99Å; A420-L422 PolarHBondContact O-N 2.84Å; L422-M424 VanDerWaalsContact C-N 3.33Å
423	S	46.8	Very low	49.1	Very low	92 Å²	92	81 Å²	81	64%	0.643	42%	0.417	S	S	*	.	H	α-helix	trans	-79.6	-12.4	178.3	75.8	0	0	0	0	114.2	Q419 A420 L421	Q419-S423 PolarHBondContact O-N 2.84Å; Q419-S423 VanDerWaalsContact O-N 3.16Å; A420-S423 PolarHBondContact O-N 2.8Å; A420-S423 PolarHBondContact O-OG 2.83Å; L421-S423 PolarHBondContact O-N 3.23Å
424	M	45	Very low	49.5	Very low	63 Å²	63	79.6 Å²	79.6	31%	0.31	41%	0.409	S	S	.	.			trans	-109.7	75.4	-172.7	-61.6	-166	83.8	0	0	113	L400 L403 L421 L422 I430	L400-M424 HydrophobicContact CD2-CE 3.59Å; L403-M424 HydrophobicContact CB-CE 4.36Å; L403-M424 HydrophobicContact CD1-CE 3.71Å; L421-M424 PolarHBondContact O-N 2.99Å; L422-M424 VanDerWaalsContact C-N 3.33Å; M424-I430 WeakPolarHBondContact O-CD1 3.17Å; M424-I430 WeakPolarHBondContact O-CG1 3.4Å
425	F	47	Very low	49.5	Very low	151 Å²	151	75.7 Å²	75.7	66%	0.662	40%	0.399	S	S	*	.			trans	-77.6	138.7	161.1	-78.4	-96.9	0	0	0	109.4	Q427	F425-Q427 HydrophobicContact CD1-CG 4.39Å; F425-Q427 HydrophobicContact CE1-CG 4.3Å
426	P	50.7	Low	49.7	Very low	81 Å²	81	70.8 Å²	70.8	53%	0.526	39%	0.385	S	S	.	.	S	Bend	cis	-102.3	160	27.4	33.8	-26.7	0	0	0	115.7	F428 G429	P426-F428 PolarHBondContact O-N 3.04Å; P426-G429 PolarHBondContact O-N 2.77Å
427	Q	52.6	Low	49.9	Very low	70 Å²	70	69.1 Å²	69.1	33%	0.327	37%	0.374	S	S	.	.	H	α-helix	trans	-47.7	-34.4	-168.6	-67	163	-18.2	0	0	115.5	F425 G429 T431	F425-Q427 HydrophobicContact CD1-CG 4.39Å; F425-Q427 HydrophobicContact CE1-CG 4.3Å; Q427-G429 VanDerWaalsContact C-N 3.32Å; Q427-G429 PolarHBondContact O-N 3.31Å; Q427-T431 PolarHBondContact O-N 3.44Å; Q427-T431 PolarHBondContact O-OG1 2.84Å
428	F	48.3	Very low	50.4	Low	152 Å²	152	70.8 Å²	70.8	67%	0.667	39%	0.386	S	S	*	.	H	α-helix	trans	-59.8	-34.9	178.1	-95.6	-90.3	0	0	0	114.3	P426 I432	P426-F428 PolarHBondContact O-N 3.04Å; F428-I432 WeakPolarHBondContact O-CG1 3.38Å; F428-I432 PolarHBondContact O-N 2.8Å
429	G	49.6	Very low	50.2	Low	14 Å²	14	74.3 Å²	74.3	14%	0.144	39%	0.394	C	S	.	.	H	α-helix	trans	-64.9	-53	-179.1	0	0	0	0	0	111.2	P426 Q427 T431 I432 V433	P426-G429 PolarHBondContact O-N 2.77Å; Q427-G429 VanDerWaalsContact C-N 3.32Å; Q427-G429 PolarHBondContact O-N 3.31Å; G429-T431 VanDerWaalsContact C-N 3.3Å; G429-T431 PolarHBondContact O-N 3.44Å; G429-I432 PolarHBondContact O-N 3.48Å; G429-V433 WeakPolarHBondContact O-CG2 3.34Å; G429-V433 PolarHBondContact O-N 3.27Å; G429-V433 VanDerWaalsContact O-N 3.08Å
430	I	51.6	Low	50.2	Low	37 Å²	37	72.9 Å²	72.9	19%	0.19	39%	0.389	C	S	.	.	H	α-helix	trans	-52.4	-46.4	-178.6	-62.6	171	0	0	0	111.3	L421 M424 I432 V433 I434	L421-I430 HydrophobicContact CD2-CG2 4.43Å; L421-I430 WeakPolarHBondContact O-CD1 3.48Å; M424-I430 WeakPolarHBondContact O-CD1 3.17Å; M424-I430 WeakPolarHBondContact O-CG1 3.4Å; I430-I432 VanDerWaalsContact C-N 3.34Å; I430-I432 PolarHBondContact O-N 2.97Å; I430-V433 PolarHBondContact O-N 2.75Å; I430-I434 HydrophobicContact CG2-CD1 3.68Å; I430-I434 HydrophobicContact CG2-CG1 4.43Å; I430-I434 WeakPolarHBondContact O-CG1 3.45Å; I430-I434 PolarHBondContact O-N 3.5Å
431	T	51.6	Low	50.5	Low	66 Å²	66	77.1 Å²	77.1	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-37.9	-179.3	-45.4	0	0	0	0	112.8	Q427 G429 N435	Q427-T431 PolarHBondContact O-N 3.44Å; Q427-T431 PolarHBondContact O-OG1 2.84Å; G429-T431 VanDerWaalsContact C-N 3.3Å; G429-T431 PolarHBondContact O-N 3.44Å; T431-N435 VanDerWaalsContact O-CB 3.29Å; T431-N435 WeakPolarHBondContact O-CB 3.35Å; T431-N435 PolarHBondContact O-N 2.93Å
432	I	51	Low	50.4	Low	54 Å²	54	83 Å²	83	28%	0.277	43%	0.431	S	S	.	.	H	α-helix	trans	-70.9	-38.7	178.6	-65.8	170	0	0	0	110.7	Y397 F428 G429 I430 A436	Y397-I432 HydrophobicContact CD2-CD1 4.4Å; Y397-I432 HydrophobicContact CE2-CD1 3.47Å; Y397-I432 VanDerWaalsContact CE2-CD1 3.47Å; F428-I432 WeakPolarHBondContact O-CG1 3.38Å; F428-I432 PolarHBondContact O-N 2.8Å; G429-I432 PolarHBondContact O-N 3.48Å; I430-I432 VanDerWaalsContact C-N 3.34Å; I430-I432 PolarHBondContact O-N 2.97Å; I432-A436 VanDerWaalsContact O-CB 3.3Å; I432-A436 WeakPolarHBondContact O-CB 3.4Å; I432-A436 PolarHBondContact O-N 2.83Å
433	V	49.5	Very low	50	Low	15 Å²	15	87.4 Å²	87.4	9%	0.091	44%	0.439	C	S	.	.	H	α-helix	trans	-65.1	-46.8	176.6	-178.2	0	0	0	0	111.2	L421 G429 I430 N435 A436 L437	L421-V433 HydrophobicContact CD2-CB 4.19Å; L421-V433 HydrophobicContact CD2-CG1 3.96Å; G429-V433 WeakPolarHBondContact O-CG2 3.34Å; G429-V433 PolarHBondContact O-N 3.27Å; G429-V433 VanDerWaalsContact O-N 3.08Å; I430-V433 PolarHBondContact O-N 2.75Å; V433-N435 PolarHBondContact O-N 2.58Å; V433-A436 PolarHBondContact O-N 2.78Å; V433-L437 HydrophobicContact CG1-CD1 4.01Å; V433-L437 PolarHBondContact O-N 2.83Å
434	I	55.6	Low	49.9	Very low	81 Å²	81	90.6 Å²	90.6	42%	0.415	44%	0.441	S	S	.	.	H	α-helix	trans	-62.9	-43.2	178.5	-67.1	171.4	0	0	0	111.2	L421 I430 A436 L437 V438	L421-I434 HydrophobicContact CD1-CG1 4.44Å; I430-I434 HydrophobicContact CG2-CD1 3.68Å; I430-I434 HydrophobicContact CG2-CG1 4.43Å; I430-I434 WeakPolarHBondContact O-CG1 3.45Å; I430-I434 PolarHBondContact O-N 3.5Å; I434-A436 VanDerWaalsContact C-N 3.3Å; I434-A436 PolarHBondContact O-N 2.69Å; I434-L437 WeakPolarHBondContact O-CB 3.34Å; I434-L437 PolarHBondContact O-N 3.13Å; I434-V438 WeakPolarHBondContact O-CG2 3.41Å; I434-V438 PolarHBondContact O-N 2.84Å; I434-V438 VanDerWaalsContact O-N 3.11Å
435	N	52.4	Low	49.4	Very low	86 Å²	86	94.2 Å²	94.2	46%	0.46	46%	0.462	S	S	.	.	H	α-helix	trans	-68.9	-28.8	178.5	-161.5	-1	0	0	0	112.6	T431 V433 R439	T431-N435 VanDerWaalsContact O-CB 3.29Å; T431-N435 WeakPolarHBondContact O-CB 3.35Å; T431-N435 PolarHBondContact O-N 2.93Å; V433-N435 PolarHBondContact O-N 2.58Å; N435-R439 WeakPolarHBondContact O-CG 3.13Å; N435-R439 PolarHBondContact O-N 2.73Å
436	A	51.7	Low	48.8	Very low	50 Å²	50	92.5 Å²	92.5	41%	0.413	47%	0.466	S	S	.	.	H	α-helix	trans	-75.6	-32.5	172.7	0	0	0	0	0	113.3	I432 V433 I434 N440	I432-A436 VanDerWaalsContact O-CB 3.3Å; I432-A436 WeakPolarHBondContact O-CB 3.4Å; I432-A436 PolarHBondContact O-N 2.83Å; V433-A436 PolarHBondContact O-N 2.78Å; I434-A436 VanDerWaalsContact C-N 3.3Å; I434-A436 PolarHBondContact O-N 2.69Å; A436-N440 PolarHBondContact O-N 3.16Å
437	L	51.7	Low	48	Very low	27 Å²	27	97.7 Å²	97.7	14%	0.141	48%	0.481	C	S	.	.	H	α-helix	trans	-62.6	-57.1	173	-87.3	156.7	0	0	0	111	M417 V433 I434 R439 N440 E441	M417-L437 HydrophobicContact SD-CD1 4.01Å; M417-L437 HydrophobicContact SD-CD2 4.26Å; V433-L437 HydrophobicContact CG1-CD1 4.01Å; V433-L437 PolarHBondContact O-N 2.83Å; I434-L437 WeakPolarHBondContact O-CB 3.34Å; I434-L437 PolarHBondContact O-N 3.13Å; L437-R439 VanDerWaalsContact C-N 3.34Å; L437-R439 PolarHBondContact O-N 2.79Å; L437-N440 PolarHBondContact O-N 3.29Å; L437-E441 PolarHBondContact O-N 3.11Å
438	V	55.3	Low	46.9	Very low	76 Å²	76	97.7 Å²	97.7	46%	0.461	50%	0.499	S	S	.	.	H	α-helix	trans	-55.9	-46	-176.8	174.1	0	0	0	0	111.7	I434 N440 E441 E442	I434-V438 WeakPolarHBondContact O-CG2 3.41Å; I434-V438 PolarHBondContact O-N 2.84Å; I434-V438 VanDerWaalsContact O-N 3.11Å; V438-N440 PolarHBondContact O-N 3.25Å; V438-E441 PolarHBondContact O-N 3.31Å; V438-E442 PolarHBondContact O-N 3.46Å
439	R	49.8	Very low	46.1	Very low	162 Å²	162	97.4 Å²	97.4	61%	0.611	50%	0.504	S	S	*	.	H	α-helix	trans	-67.4	-16.8	178.3	-73.6	-178.8	173.5	-164.2	-3.1	115.2	N435 L437	N435-R439 WeakPolarHBondContact O-CG 3.13Å; N435-R439 PolarHBondContact O-N 2.73Å; L437-R439 VanDerWaalsContact C-N 3.34Å; L437-R439 PolarHBondContact O-N 2.79Å
440	N	49.8	Very low	45.3	Very low	78 Å²	78	102.6 Å²	102.6	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-90.3	-30.6	177.6	-100.9	-17.4	0	0	0	112.2	A436 L437 V438 R443	A436-N440 PolarHBondContact O-N 3.16Å; L437-N440 PolarHBondContact O-N 3.29Å; V438-N440 PolarHBondContact O-N 3.25Å; N440-R443 PolarHBondContact O-N 3.3Å
441	E	51.4	Low	44.6	Very low	122 Å²	122	105.1 Å²	105.1	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-69.1	-42.2	174.2	-69.2	-169.7	125.5	0	0	111.5	L437 V438 R443 K444	L437-E441 PolarHBondContact O-N 3.11Å; V438-E441 PolarHBondContact O-N 3.31Å; E441-R443 PolarHBondContact O-N 3.22Å; E441-K444 PolarHBondContact O-N 3.39Å
442	E	46.6	Very low	43.9	Very low	149 Å²	149	108.2 Å²	108.2	70%	0.696	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-23.6	174.1	-73.3	-180	155.4	0	0	114.2	V438	V438-E442 PolarHBondContact O-N 3.46Å
443	R	42.9	Very low	43.4	Very low	210 Å²	210	112.5 Å²	112.5	79%	0.792	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-11.8	-174.2	-69.3	-176.4	176.9	-164.2	-2.8	115.2	N440 E441	N440-R443 PolarHBondContact O-N 3.3Å; E441-R443 PolarHBondContact O-N 3.22Å
444	K	43.9	Very low	42.8	Very low	159 Å²	159	116.4 Å²	116.4	69%	0.691	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-18.1	-169.7	-76.7	-174	175.9	179.7	0	115.6	E441	E441-K444 PolarHBondContact O-N 3.39Å
445	N	34.2	Very low	41.9	Very low	138 Å²	138	118.2 Å²	118.2	74%	0.738	62%	0.621	S	S	*	*			trans	-130	92.1	178.5	-78.8	-24.9	0	0	0	112.3	F447	N445-F447 PolarHBondContact O-N 3.1Å
446	P	34.6	Very low	41.2	Very low	115 Å²	115	121 Å²	121	75%	0.747	64%	0.636	S	S	*	*			trans	-81.5	6.3	169.8	27.9	-25.4	0	0	0	113.8
447	F	33.2	Very low	40.5	Very low	191 Å²	191	127.6 Å²	127.6	84%	0.838	65%	0.651	S	S	*	*	S	Bend	trans	-140.8	121	-176	-78.5	-88.1	0	0	0	113.6	N445	N445-F447 PolarHBondContact O-N 3.1Å
448	G	29.6	Very low	39.9	Very low	69 Å²	69	133.5 Å²	133.5	71%	0.711	68%	0.683	S	S	*	*	S	Bend	trans	85.4	62.4	136.6	0	0	0	0	0	120.2
449	L	31.5	Very low	39	Very low	147 Å²	147	139.8 Å²	139.8	77%	0.77	70%	0.7	S	S	*	*			trans	-149.1	25.3	155.5	-109.7	169.5	0	0	0	113.3	S451	L449-S451 VanDerWaalsContact C-N 3.33Å; L449-S451 PolarHBondContact O-N 3.09Å
450	T	33	Very low	38.2	Very low	122 Å²	122	136.2 Å²	136.2	75%	0.748	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	54.9	-170.7	54.7	0	0	0	0	113.7
451	S	38	Very low	37.6	Very low	90 Å²	90	136.6 Å²	136.6	63%	0.629	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.8	17.2	178	72.4	0	0	0	0	116.8	L449 D454	L449-S451 VanDerWaalsContact C-N 3.33Å; L449-S451 PolarHBondContact O-N 3.09Å; S451-D454 VanDerWaalsContact CA-OD2 3.28Å; S451-D454 WeakPolarHBondContact CA-OD2 3.48Å
452	L	36.7	Very low	37.2	Very low	131 Å²	131	140 Å²	140	69%	0.686	74%	0.736	S	S	*	*	S	Bend	trans	-141	-7.9	-174.1	-103.7	156.7	0	0	0	116.1
453	F	39	Very low	37.5	Very low	145 Å²	145	135.3 Å²	135.3	64%	0.636	72%	0.719	S	S	*	*	S	Bend	trans	-128.4	6.1	178.4	-74.3	-75.9	0	0	0	114.1	P455 L456 Y457	F453-P455 VanDerWaalsContact C-N 3.33Å; F453-L456 PolarHBondContact O-N 3.09Å; F453-Y457 HydrophobicContact CB-CD2 4.42Å; F453-Y457 HydrophobicContact CB-CE2 4.43Å
454	D	37.5	Very low	38.1	Very low	96 Å²	96	134.7 Å²	134.7	51%	0.513	72%	0.718	S	S	.	*	G	3₁₀ helix	trans	-56	-29.4	-175.5	-51.9	-61.9	0	0	0	115.6	S451 L456	S451-D454 VanDerWaalsContact CA-OD2 3.28Å; S451-D454 WeakPolarHBondContact CA-OD2 3.48Å; D454-L456 VanDerWaalsContact C-N 3.28Å; D454-L456 PolarHBondContact O-N 2.66Å
455	P	36.8	Very low	38.6	Very low	120 Å²	120	131 Å²	131	78%	0.779	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-73.1	-9.1	178.2	-18.5	32.5	0	0	0	116.1	F453	F453-P455 VanDerWaalsContact C-N 3.33Å
456	L	38.5	Very low	39.6	Very low	145 Å²	145	129.3 Å²	129.3	76%	0.759	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-109.2	-3	-179	-80.7	164.1	0	0	0	113.4	F453 D454	F453-L456 PolarHBondContact O-N 3.09Å; D454-L456 VanDerWaalsContact C-N 3.28Å; D454-L456 PolarHBondContact O-N 2.66Å
457	Y	37.2	Very low	40.4	Very low	187 Å²	187	126.9 Å²	126.9	73%	0.733	68%	0.684	S	S	*	*	S	Bend	trans	-91.9	-6.1	-172.1	-104.9	-96.6	0	0	0	115	F453	F453-Y457 HydrophobicContact CB-CD2 4.42Å; F453-Y457 HydrophobicContact CB-CE2 4.43Å
458	D	37.7	Very low	41.8	Very low	152 Å²	152	122.6 Å²	122.6	81%	0.813	67%	0.668	S	S	*	*	S	Bend	trans	-94.3	1.4	-171.2	-137.2	9.7	0	0	0	114.5
459	Y	36.5	Very low	43.6	Very low	207 Å²	207	124.1 Å²	124.1	81%	0.812	66%	0.66	S	S	*	*			trans	-106.1	71.8	172.7	-79.7	-82.7	0	0	0	111.3	S461	Y459-S461 PolarHBondContact O-N 3.28Å
460	G	33.8	Very low	44.7	Very low	88 Å²	88	122.6 Å²	122.6	91%	0.907	65%	0.65	S	S	*	*			trans	-67	33.4	179.9	0	0	0	0	0	116.5
461	S	36.9	Very low	45.8	Very low	86 Å²	86	121.4 Å²	121.4	60%	0.601	64%	0.637	S	S	*	*			trans	-147.1	83.3	-177	64.5	0	0	0	0	112.6	Y459 S463	Y459-S461 PolarHBondContact O-N 3.28Å; S461-S463 PolarHBondContact O-N 3.03Å
462	F	43.1	Very low	47.2	Very low	194 Å²	194	122 Å²	122	85%	0.851	63%	0.632	S	S	*	*			trans	-66.1	101.4	160.2	-147.8	-88	0	0	0	107.3	Y464	F462-Y464 PolarHBondContact O-N 3.23Å
463	S	52.6	Low	48.8	Very low	50 Å²	50	120.6 Å²	120.6	35%	0.35	63%	0.625	S	S	.	*			trans	-70.8	125.3	-153.2	68.4	0	0	0	0	113.5	S461 S465 L466	S461-S463 PolarHBondContact O-N 3.03Å; S463-S465 WeakPolarHBondContact CB-OG 3.31Å; S463-S465 PolarHBondContact O-N 3.2Å; S463-S465 VanDerWaalsContact O-N 3.07Å; S463-S465 PolarHBondContact OG-OG 2.66Å; S463-L466 PolarHBondContact O-N 3.35Å; S463-L466 VanDerWaalsContact O-N 3.12Å
464	Y	55	Low	49.6	Very low	196 Å²	196	115.4 Å²	115.4	77%	0.769	61%	0.613	S	S	*	*	H	α-helix	trans	-54.4	-27.3	173.5	-70.5	-84.3	0	0	0	112.8	F462 L467 I468	F462-Y464 PolarHBondContact O-N 3.23Å; Y464-L467 WeakPolarHBondContact O-CB 3.32Å; Y464-L467 PolarHBondContact O-N 3.07Å; Y464-I468 WeakPolarHBondContact O-CG1 3.31Å; Y464-I468 PolarHBondContact O-N 3.14Å; Y464-I468 VanDerWaalsContact O-N 3.07Å
465	S	55.2	Low	51	Low	82 Å²	82	113.3 Å²	113.3	57%	0.573	61%	0.609	S	S	*	*	H	α-helix	trans	-64.7	-38.8	177.3	43.4	0	0	0	0	114	S463 L467 I468 L469	S463-S465 WeakPolarHBondContact CB-OG 3.31Å; S463-S465 PolarHBondContact O-N 3.2Å; S463-S465 VanDerWaalsContact O-N 3.07Å; S463-S465 PolarHBondContact OG-OG 2.66Å; S465-L467 VanDerWaalsContact C-N 3.28Å; S465-L467 PolarHBondContact O-N 3.34Å; S465-I468 PolarHBondContact O-N 3.49Å; S465-L469 WeakPolarHBondContact O-CB 3.5Å; S465-L469 PolarHBondContact O-N 3.05Å; S465-L469 VanDerWaalsContact O-N 3.09Å
466	L	56.1	Low	52.6	Low	102 Å²	102	112.9 Å²	112.9	53%	0.534	60%	0.599	S	S	.	*	H	α-helix	trans	-66.7	-35.3	176.4	-166.2	73.9	0	0	0	111.1	S463 L469 M470	S463-L466 PolarHBondContact O-N 3.35Å; S463-L466 VanDerWaalsContact O-N 3.12Å; L466-L469 PolarHBondContact O-N 2.67Å; L466-M470 PolarHBondContact O-N 3.21Å
467	L	50.9	Low	53.9	Low	65 Å²	65	110.2 Å²	110.2	34%	0.34	59%	0.585	S	S	.	*	H	α-helix	trans	-66.5	-46.4	178.1	-123.8	155.8	0	0	0	111.8	Y464 S465 L469 M470 M471	Y464-L467 WeakPolarHBondContact O-CB 3.32Å; Y464-L467 PolarHBondContact O-N 3.07Å; S465-L467 VanDerWaalsContact C-N 3.28Å; S465-L467 PolarHBondContact O-N 3.34Å; L467-L469 VanDerWaalsContact C-N 3.34Å; L467-L469 PolarHBondContact O-N 3.4Å; L467-M470 PolarHBondContact O-N 3.03Å; L467-M471 WeakPolarHBondContact O-CG 3.38Å; L467-M471 PolarHBondContact O-N 2.89Å
468	I	61.7	Low	54.9	Low	101 Å²	101	108.5 Å²	108.5	52%	0.518	58%	0.583	S	S	.	*	H	α-helix	trans	-61.7	-41.7	175.2	-67.2	163.9	0	0	0	111.1	Y464 S465 M470 M471 L472	Y464-I468 WeakPolarHBondContact O-CG1 3.31Å; Y464-I468 PolarHBondContact O-N 3.14Å; Y464-I468 VanDerWaalsContact O-N 3.07Å; S465-I468 PolarHBondContact O-N 3.49Å; I468-M470 PolarHBondContact O-N 3.48Å; I468-M471 PolarHBondContact O-N 2.94Å; I468-L472 HydrophobicContact CG2-CD1 4.05Å; I468-L472 WeakPolarHBondContact O-CG 3.32Å; I468-L472 PolarHBondContact O-N 3.25Å; I468-L472 VanDerWaalsContact O-N 3.09Å
469	L	67.2	Low	56.4	Low	101 Å²	101	107 Å²	107	53%	0.529	57%	0.574	S	S	.	*	H	α-helix	trans	-60.9	-43.6	179.5	-173.8	67.1	0	0	0	112.2	S465 L466 L467 L472 L473	S465-L469 WeakPolarHBondContact O-CB 3.5Å; S465-L469 PolarHBondContact O-N 3.05Å; S465-L469 VanDerWaalsContact O-N 3.09Å; L466-L469 PolarHBondContact O-N 2.67Å; L467-L469 VanDerWaalsContact C-N 3.34Å; L467-L469 PolarHBondContact O-N 3.4Å; L469-L472 PolarHBondContact O-N 3.21Å; L469-L473 PolarHBondContact O-N 3.31Å; L469-L473 VanDerWaalsContact O-N 3.17Å
470	M	55.2	Low	57.9	Low	115 Å²	115	103 Å²	103	57%	0.567	56%	0.561	S	S	*	*	H	α-helix	trans	-69	-33	177.9	-67.5	-160.2	79.8	0	0	113.2	L466 L467 I468 G474	L466-M470 PolarHBondContact O-N 3.21Å; L467-M470 PolarHBondContact O-N 3.03Å; I468-M470 PolarHBondContact O-N 3.48Å; M470-G474 PolarHBondContact O-N 3.19Å
471	M	55.6	Low	58.9	Low	96 Å²	96	105.1 Å²	105.1	47%	0.473	55%	0.546	S	S	.	.	H	α-helix	trans	-65.8	-44.2	174.9	-72	-179.1	67.5	0	0	111.9	L467 I468 L473 G474 A475	L467-M471 WeakPolarHBondContact O-CG 3.38Å; L467-M471 PolarHBondContact O-N 2.89Å; I468-M471 PolarHBondContact O-N 2.94Å; M471-L473 VanDerWaalsContact C-N 3.35Å; M471-L473 PolarHBondContact O-N 3.1Å; M471-G474 PolarHBondContact O-N 3.45Å; M471-A475 PolarHBondContact O-N 3.08Å
472	L	68.9	Low	59.7	Low	103 Å²	103	101.9 Å²	101.9	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-61	-43.2	176.6	-72.4	167.4	0	0	0	111.8	I468 L469 G474 A475 I476	I468-L472 HydrophobicContact CG2-CD1 4.05Å; I468-L472 WeakPolarHBondContact O-CG 3.32Å; I468-L472 PolarHBondContact O-N 3.25Å; I468-L472 VanDerWaalsContact O-N 3.09Å; L469-L472 PolarHBondContact O-N 3.21Å; L472-G474 VanDerWaalsContact C-N 3.35Å; L472-G474 PolarHBondContact O-N 2.79Å; L472-A475 PolarHBondContact O-N 3.45Å; L472-I476 WeakPolarHBondContact O-CG1 3.47Å; L472-I476 PolarHBondContact O-N 2.93Å; L472-I476 VanDerWaalsContact O-N 3.1Å
473	L	69.8	Low	61.1	Low	101 Å²	101	99.1 Å²	99.1	53%	0.529	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-38.4	179.9	-126.6	142.9	0	0	0	112.4	L469 M471 I477	L469-L473 PolarHBondContact O-N 3.31Å; L469-L473 VanDerWaalsContact O-N 3.17Å; M471-L473 VanDerWaalsContact C-N 3.35Å; M471-L473 PolarHBondContact O-N 3.1Å; L473-I477 HydrophobicContact CD2-CD1 4.26Å; L473-I477 WeakPolarHBondContact O-CG1 3.38Å; L473-I477 PolarHBondContact O-N 2.83Å
474	G	56	Low	61.2	Low	37 Å²	37	102.7 Å²	102.7	38%	0.381	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-42.8	174.3	0	0	0	0	0	113.4	M470 M471 L472 I477 H478	M470-G474 PolarHBondContact O-N 3.19Å; M471-G474 PolarHBondContact O-N 3.45Å; L472-G474 VanDerWaalsContact C-N 3.35Å; L472-G474 PolarHBondContact O-N 2.79Å; G474-I477 PolarHBondContact O-N 2.9Å; G474-H478 PolarHBondContact O-N 3Å
475	A	65.5	Low	60.9	Low	52 Å²	52	98.9 Å²	98.9	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-42.8	178.5	0	0	0	0	0	112.6	M471 L472 I477 H478 L479	M471-A475 PolarHBondContact O-N 3.08Å; L472-A475 PolarHBondContact O-N 3.45Å; A475-I477 VanDerWaalsContact C-N 3.34Å; A475-I477 PolarHBondContact O-N 2.82Å; A475-H478 PolarHBondContact O-N 3.08Å; A475-L479 WeakPolarHBondContact O-CG 3.4Å; A475-L479 PolarHBondContact O-N 2.82Å
476	I	70.6	Confident	60.7	Low	110 Å²	110	98.5 Å²	98.5	56%	0.564	50%	0.498	S	S	*	.	H	α-helix	trans	-61	-41.3	178.8	-67.7	163.7	0	0	0	111.5	L472 H478 L479 F480	L472-I476 WeakPolarHBondContact O-CG1 3.47Å; L472-I476 PolarHBondContact O-N 2.93Å; L472-I476 VanDerWaalsContact O-N 3.1Å; I476-H478 VanDerWaalsContact C-N 3.34Å; I476-H478 PolarHBondContact O-N 3.45Å; I476-L479 PolarHBondContact O-N 3.29Å; I476-F480 PolarHBondContact O-N 3.19Å
477	I	66.4	Low	60.4	Low	90 Å²	90	98 Å²	98	46%	0.462	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-37.6	179.6	-67.3	167.4	0	0	0	111.4	L473 G474 A475 F481	L473-I477 HydrophobicContact CD2-CD1 4.26Å; L473-I477 WeakPolarHBondContact O-CG1 3.38Å; L473-I477 PolarHBondContact O-N 2.83Å; G474-I477 PolarHBondContact O-N 2.9Å; A475-I477 VanDerWaalsContact C-N 3.34Å; A475-I477 PolarHBondContact O-N 2.82Å; I477-F481 PolarHBondContact O-N 3.03Å
478	H	58.4	Low	60.1	Low	151 Å²	151	99.7 Å²	99.7	70%	0.699	50%	0.501	S	S	*	.	H	α-helix	trans	-68.7	-43.6	175.5	-80	27.4	0	0	0	112.2	G474 A475 I476 F480 F481 A482	G474-H478 PolarHBondContact O-N 3Å; A475-H478 PolarHBondContact O-N 3.08Å; I476-H478 VanDerWaalsContact C-N 3.34Å; I476-H478 PolarHBondContact O-N 3.45Å; H478-F480 VanDerWaalsContact C-N 3.33Å; H478-F480 PolarHBondContact O-N 3.16Å; H478-F481 PolarHBondContact O-N 3.17Å; H478-A482 PolarHBondContact O-N 3.48Å
479	L	68.8	Low	58.9	Low	120 Å²	120	104.8 Å²	104.8	63%	0.628	51%	0.514	S	S	*	.	H	α-helix	trans	-58.6	-41.9	175.2	-74.9	164.2	0	0	0	112.3	A475 I476 A482 W483	A475-L479 WeakPolarHBondContact O-CG 3.4Å; A475-L479 PolarHBondContact O-N 2.82Å; I476-L479 PolarHBondContact O-N 3.29Å; L479-A482 PolarHBondContact O-N 3.1Å; L479-W483 PolarHBondContact O-N 3.41Å
480	F	68.6	Low	57.8	Low	123 Å²	123	104.1 Å²	104.1	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-64.8	-41.4	177.6	-174.9	-95.6	0	0	0	112.8	I476 H478 W483 Y484	I476-F480 PolarHBondContact O-N 3.19Å; H478-F480 VanDerWaalsContact C-N 3.33Å; H478-F480 PolarHBondContact O-N 3.16Å; F480-W483 HydrophobicContact CD2-CE3 4.28Å; F480-W483 HydrophobicContact CE2-CE3 4.14Å; F480-W483 HydrophobicContact CE2-CZ3 4.03Å; F480-Y484 PolarHBondContact O-N 3.33Å; F480-Y484 VanDerWaalsContact O-N 3.08Å
481	F	54.9	Low	56.7	Low	133 Å²	133	106.2 Å²	106.2	58%	0.583	52%	0.524	S	S	*	.	H	α-helix	trans	-69.1	-35.7	177.7	-109.7	-83.3	0	0	0	113	I477 H478 L485	I477-F481 PolarHBondContact O-N 3.03Å; H478-F481 PolarHBondContact O-N 3.17Å; F481-L485 WeakPolarHBondContact O-CG 3.32Å; F481-L485 PolarHBondContact O-N 3.4Å
482	A	53.3	Low	55.6	Low	17 Å²	17	109.7 Å²	109.7	14%	0.14	54%	0.537	C	S	.	.	H	α-helix	trans	-63.9	-49.3	173.5	0	0	0	0	0	111.2	H478 L479 Y484 L485 L486	H478-A482 PolarHBondContact O-N 3.48Å; L479-A482 PolarHBondContact O-N 3.1Å; A482-Y484 PolarHBondContact O-N 2.84Å; A482-L485 PolarHBondContact O-N 3.35Å; A482-L486 PolarHBondContact O-N 2.94Å
483	W	71.4	Confident	54	Low	137 Å²	137	113.5 Å²	113.5	52%	0.519	55%	0.549	S	S	.	.	H	α-helix	trans	-56.4	-48.3	177.1	174.8	61.8	0	0	0	112.7	L479 F480 L485 L486 E487	L479-W483 PolarHBondContact O-N 3.41Å; F480-W483 HydrophobicContact CD2-CE3 4.28Å; F480-W483 HydrophobicContact CE2-CE3 4.14Å; F480-W483 HydrophobicContact CE2-CZ3 4.03Å; W483-L485 VanDerWaalsContact C-N 3.27Å; W483-L485 PolarHBondContact O-N 2.94Å; W483-L486 PolarHBondContact O-N 3.41Å; W483-L486 VanDerWaalsContact O-N 3.12Å; W483-E487 PolarHBondContact NE1-OE2 3.29Å; W483-E487 PolarHBondContact O-N 2.71Å; W483-E487 VanDerWaalsContact O-N 3.16Å
484	Y	56	Low	52.1	Low	125 Å²	125	116.4 Å²	116.4	49%	0.49	56%	0.56	S	S	.	*	H	α-helix	trans	-60.3	-33.1	-179.5	-176.5	-100.7	0	0	0	113.6	F480 A482 I488	F480-Y484 PolarHBondContact O-N 3.33Å; F480-Y484 VanDerWaalsContact O-N 3.08Å; A482-Y484 PolarHBondContact O-N 2.84Å; Y484-I488 HydrophobicContact CD1-CD1 4.14Å; Y484-I488 HydrophobicContact CE1-CD1 3.66Å; Y484-I488 HydrophobicContact CE2-CD1 4.49Å
485	L	49.1	Very low	50.7	Low	116 Å²	116	120 Å²	120	61%	0.607	57%	0.571	S	S	*	*	H	α-helix	trans	-77.5	-25.8	178.5	-71.8	170.9	0	0	0	113.3	F481 A482 W483	F481-L485 WeakPolarHBondContact O-CG 3.32Å; F481-L485 PolarHBondContact O-N 3.4Å; A482-L485 PolarHBondContact O-N 3.35Å; W483-L485 VanDerWaalsContact C-N 3.27Å; W483-L485 PolarHBondContact O-N 2.94Å
486	L	49.9	Very low	48.9	Very low	73 Å²	73	121.5 Å²	121.5	38%	0.382	58%	0.583	S	S	.	*	H	α-helix	trans	-75.6	-44.1	176	-72.2	157.9	0	0	0	111.8	A482 W483 I488 R489 T614	A482-L486 PolarHBondContact O-N 2.94Å; W483-L486 PolarHBondContact O-N 3.41Å; W483-L486 VanDerWaalsContact O-N 3.12Å; L486-I488 PolarHBondContact O-N 3.14Å; L486-I488 VanDerWaalsContact O-N 3.15Å; L486-R489 PolarHBondContact O-N 2.95Å; L486-R489 VanDerWaalsContact O-N 3.08Å; L486-T614 HydrophobicContact CD1-CG2 4.26Å; L486-T614 VanDerWaalsContact CD1-O 3.27Å; L486-T614 WeakPolarHBondContact CD1-O 3.38Å; L486-T614 WeakPolarHBondContact CD2-O 3.47Å
487	E	50.3	Low	46.7	Very low	91 Å²	91	119.8 Å²	119.8	43%	0.425	59%	0.593	S	S	.	*	H	α-helix	trans	-58.8	-28.3	-177.7	-157.9	77.9	-153.1	0	0	113.2	W483 S490	W483-E487 PolarHBondContact NE1-OE2 3.29Å; W483-E487 PolarHBondContact O-N 2.71Å; W483-E487 VanDerWaalsContact O-N 3.16Å; E487-S490 PolarHBondContact O-OG 3.44Å
488	I	44.6	Very low	44.7	Very low	102 Å²	102	117.8 Å²	117.8	52%	0.523	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	-21.5	-178.9	-67.5	172.2	0	0	0	112.4	Y484 L486	Y484-I488 HydrophobicContact CD1-CD1 4.14Å; Y484-I488 HydrophobicContact CE1-CD1 3.66Å; Y484-I488 HydrophobicContact CE2-CD1 4.49Å; L486-I488 PolarHBondContact O-N 3.14Å; L486-I488 VanDerWaalsContact O-N 3.15Å
489	R	37.3	Very low	43.3	Very low	207 Å²	207	117 Å²	117	78%	0.781	60%	0.595	S	S	*	*	S	Bend	trans	-87.7	-11.2	-170.8	-165.5	168.6	172.2	-174.5	-8.1	114.2	L486	L486-R489 PolarHBondContact O-N 2.95Å; L486-R489 VanDerWaalsContact O-N 3.08Å
490	S	43.3	Very low	41.5	Very low	88 Å²	88	121.2 Å²	121.2	62%	0.615	60%	0.604	S	S	*	*	S	Bend	trans	-91.8	-7.1	-171.3	59.8	0	0	0	0	116.1	E487	E487-S490 PolarHBondContact O-OG 3.44Å
491	K	32.8	Very low	40.1	Very low	158 Å²	158	119.5 Å²	119.5	69%	0.687	60%	0.6	S	S	*	*			trans	-103.4	31.9	-164.2	-68.7	-173.1	175.6	174.7	0	116.8
492	F	30.8	Very low	39.4	Very low	169 Å²	169	122.4 Å²	122.4	74%	0.741	61%	0.612	S	S	*	*			trans	-144.3	95.4	-175.8	-92.2	-77.3	0	0	0	115.2
493	F	37.2	Very low	39.2	Very low	183 Å²	183	124.1 Å²	124.1	80%	0.803	62%	0.618	S	S	*	*				144.1	133.8	122.5	-83.3	-70	0	0	0	114.8
494	E	29	Very low	38.2	Very low	163 Å²	163	119.4 Å²	119.4	76%	0.762	60%	0.602	S	S	*	*			trans	-120.6	143.2	178.3	-82.3	-173.3	125.1	0	0	113.6
495	N	26.5	Very low	37.8	Very low	112 Å²	112	118.9 Å²	118.9	60%	0.599	61%	0.611	S	S	*	*			trans	70.1	156.2	135.2	-61.1	-18.6	0	0	0	125	K569	N495-K569 PolarHBondContact O-NZ 3.35Å
496	A	27.2	Very low	38.1	Very low	83 Å²	83	116.8 Å²	116.8	69%	0.686	60%	0.6	S	S	*	*			trans	63.8	121.9	-175.1	0	0	0	0	0	116.9	K569	A496-K569 PolarHBondContact O-NZ 3.43Å
497	G	25.2	Very low	38.3	Very low	75 Å²	75	123 Å²	123	77%	0.773	63%	0.627	S	S	*	*			cis	103.6	134.1	9.3	0	0	0	0	0	111.6
498	G	25	Very low	38.8	Very low	48 Å²	48	124 Å²	124	50%	0.495	63%	0.63	S	S	.	*			cis	164.4	152	-7.6	0	0	0	0	0	110.8	D533	G498-D533 WeakPolarHBondContact CA-OD2 3.4Å
499	D	29.2	Very low	40.2	Very low	135 Å²	135	123.4 Å²	123.4	72%	0.722	63%	0.633	S	S	*	*			trans	-157.2	149.8	179.3	-104.6	-27.3	0	0	0	115.6	D533	D499-D533 PolarHBondContact N-OD2 2.79Å
500	Y	30	Very low	42.2	Very low	208 Å²	208	116.1 Å²	116.1	82%	0.816	61%	0.611	S	S	*	*			trans	-82.3	148.3	-160	-63.2	-96.8	0	0	0	116.9
501	L	38.7	Very low	44.2	Very low	87 Å²	87	113 Å²	113	46%	0.455	59%	0.588	S	S	.	*			trans	-118.4	154.8	175	-86.1	152.7	0	0	0	112.4	L753	L501-L753 WeakPolarHBondContact CD1-O 3.41Å; L501-L753 WeakPolarHBondContact CD2-O 3.2Å
502	K	41.5	Very low	46.8	Very low	193 Å²	193	105.5 Å²	105.5	84%	0.839	56%	0.555	S	S	*	*			trans	-75.5	125.2	-179.7	-65.7	177.4	179.1	177.4	0	111.3
503	Q	48.4	Very low	49.6	Very low	53 Å²	53	98.3 Å²	98.3	25%	0.248	53%	0.526	C	S	.	.			trans	-126.8	146.6	171.7	-68.1	177.9	-9.8	0	0	110.3	T505 S535	Q503-T505 PolarHBondContact O-N 3.44Å; Q503-S535 PolarHBondContact NE2-O 2.96Å
504	E	49.4	Very low	52.1	Low	39 Å²	39	89.7 Å²	89.7	18%	0.182	49%	0.488	C	S	.	.			trans	-77.5	99.7	167.2	-178.3	176.4	-150.3	0	0	109.3	L506 R744 G757 S758 F761	E504-L506 HydrophobicContact CG-CD1 4.28Å; E504-L506 HydrophobicContact CG-CG 4.45Å; E504-R744 PolarHBondContact O-NH1 3.45Å; E504-R744 PolarHBondContact O-NH2 3.44Å; E504-G757 WeakPolarHBondContact OE2-CA 3.47Å; E504-S758 PolarHBondContact OE2-N 2.86Å; E504-F761 HydrophobicContact CB-CD1 4.17Å; E504-F761 HydrophobicContact CB-CD2 4.24Å; E504-F761 HydrophobicContact CB-CE1 3.81Å; E504-F761 HydrophobicContact CB-CE2 3.89Å; E504-F761 HydrophobicContact CB-CG 4.36Å; E504-F761 HydrophobicContact CB-CZ 3.65Å; E504-F761 VanDerWaalsContact CD-CD2 3.4Å; E504-F761 VanDerWaalsContact CD-CG 3.48Å; E504-F761 HydrophobicContact CG-CD2 3.94Å; E504-F761 HydrophobicContact CG-CE2 3.87Å; E504-F761 HydrophobicContact CG-CG 4.3Å; E504-F761 HydrophobicContact CG-CZ 4.18Å; E504-F761 VanDerWaalsContact OE1-CD2 3.25Å; E504-F761 WeakPolarHBondContact OE1-CD2 3.29Å; E504-F761 WeakPolarHBondContact OE2-CB 3.22Å; E504-F761 WeakPolarHBondContact OE2-CG 3.4Å
505	T	49	Very low	54.8	Low	113 Å²	113	86.3 Å²	86.3	69%	0.693	47%	0.472	S	S	*	.			trans	-76.8	121	176.7	45.8	0	0	0	0	110.6	Q503	Q503-T505 PolarHBondContact O-N 3.44Å
506	L	54.5	Low	57.6	Low	72 Å²	72	84.3 Å²	84.3	38%	0.377	46%	0.46	S	S	.	.			trans	-123.6	146.9	178	-85.8	162.6	0	0	0	110.1	E504 F508	E504-L506 HydrophobicContact CG-CD1 4.28Å; E504-L506 HydrophobicContact CG-CG 4.45Å; L506-F508 HydrophobicContact CB-CD2 3.85Å; L506-F508 HydrophobicContact CB-CE2 4.3Å; L506-F508 HydrophobicContact CD1-CE2 4.42Å; L506-F508 HydrophobicContact CD2-CE2 4.38Å; L506-F508 PolarHBondContact O-N 3.18Å
507	H	55.3	Low	60.5	Low	205 Å²	205	80.4 Å²	80.4	95%	0.949	43%	0.427	S	S	*	.	S	Bend	trans	-74.8	29.8	-176.3	-69.8	-57.3	0	0	0	114.5
508	F	60.9	Low	63.4	Low	111 Å²	111	78 Å²	78	49%	0.487	40%	0.399	S	S	.	.	S	Bend	trans	-90.2	149.5	175.6	-66.3	-62.3	0	0	0	111	L506 V510 Y539	L506-F508 HydrophobicContact CB-CD2 3.85Å; L506-F508 HydrophobicContact CB-CE2 4.3Å; L506-F508 HydrophobicContact CD1-CE2 4.42Å; L506-F508 HydrophobicContact CD2-CE2 4.38Å; L506-F508 PolarHBondContact O-N 3.18Å; F508-V510 PolarHBondContact O-N 3.11Å; F508-Y539 HydrophobicContact CB-CD1 3.89Å; F508-Y539 HydrophobicContact CB-CG 4.16Å
509	P	73.2	Confident	66.2	Low	90 Å²	90	76.6 Å²	76.6	58%	0.584	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-64	131.2	174.6	25.5	-31.4	0	0	0	110.3	Y539 A540	P509-Y539 WeakPolarHBondContact O-CA 3.37Å; P509-A540 HydrophobicContact CG-CB 3.87Å; P509-A540 PolarHBondContact O-N 2.96Å
510	V	78.6	Confident	68.8	Low	53 Å²	53	72.4 Å²	72.4	32%	0.321	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.2	176.9	179.1	0	0	0	0	108.8	F508 L512 E537 Y539	F508-V510 PolarHBondContact O-N 3.11Å; V510-L512 WeakPolarHBondContact CG1-O 3.32Å; V510-E537 HydrophobicContact CG1-CB 4.3Å; V510-E537 HydrophobicContact CG2-CB 4.36Å; V510-Y539 HydrophobicContact CG2-CD1 3.77Å; V510-Y539 HydrophobicContact CG2-CE1 3.59Å
511	D	85.4	Confident	71.1	Confident	23 Å²	23	66.9 Å²	66.9	12%	0.123	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-31.6	177.6	-98.2	-0	0	0	0	111.6	F538 L575 V697 T727	D511-F538 PolarHBondContact N-O 2.75Å; D511-L575 HydrophobicContact CB-CD2 4.45Å; D511-L575 PolarHBondContact O-N 3.28Å; D511-L575 VanDerWaalsContact OD1-CD2 3.31Å; D511-L575 WeakPolarHBondContact OD1-CD2 3.41Å; D511-V697 HydrophobicContact CB-CG2 3.83Å; D511-T727 HydrophobicContact CB-CG2 4.32Å; D511-T727 WeakPolarHBondContact OD2-CB 3.46Å; D511-T727 PolarHBondContact OD2-OG1 3.35Å
512	L	88.3	Confident	72.4	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	124.9	178.5	-164.4	166.2	0	0	0	109.6	V510 V514 F538 M561 V572 V573 L574 V697 I729	V510-L512 WeakPolarHBondContact CG1-O 3.32Å; L512-V514 HydrophobicContact CD2-CG2 3.63Å; L512-F538 HydrophobicContact CB-CB 4.25Å; L512-F538 HydrophobicContact CB-CD2 4.37Å; L512-F538 HydrophobicContact CD2-CD2 3.9Å; L512-F538 HydrophobicContact CD2-CE2 4.26Å; L512-F538 PolarHBondContact N-O 2.85Å; L512-F538 WeakPolarHBondContact O-CD2 3.35Å; L512-F538 PolarHBondContact O-N 2.95Å; L512-M561 HydrophobicContact CD1-CB 4.46Å; L512-M561 HydrophobicContact CD1-CE 3.93Å; L512-M561 HydrophobicContact CD2-CE 3.85Å; L512-M561 HydrophobicContact CD2-CG 4.43Å; L512-V572 HydrophobicContact CD2-CG1 3.72Å; L512-V572 HydrophobicContact CG-CG1 4.27Å; L512-V573 CarbonylContact C-O 3.5Å; L512-V573 WeakPolarHBondContact CA-O 3.44Å; L512-L574 HydrophobicContact CB-CD1 3.89Å; L512-L574 HydrophobicContact CD1-CD1 3.75Å; L512-L574 HydrophobicContact CG-CD1 3.79Å; L512-V697 HydrophobicContact CD1-CG1 4.15Å; L512-I729 HydrophobicContact CD1-CD1 4.04Å
513	S	88.4	Confident	73.3	Confident	19 Å²	19	62.6 Å²	62.6	13%	0.133	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.4	171.2	-179.4	0	0	0	0	109.8	E515 V572 V573	S513-E515 WeakPolarHBondContact OG-CG 3.37Å; S513-E515 PolarHBondContact OG-OE1 3.09Å; S513-V572 WeakPolarHBondContact O-CA 3.23Å; S513-V572 WeakPolarHBondContact O-CG1 3.45Å; S513-V573 PolarHBondContact N-O 2.99Å; S513-V573 PolarHBondContact O-N 2.9Å
514	V	89.6	Confident	73.7	Confident	2 Å²	2	63 Å²	63	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.4	170.7	-178.5	0	0	0	0	106.8	L512 V517 V534 S535 A536 F538 L557 M561 V572	L512-V514 HydrophobicContact CD2-CG2 3.63Å; V514-V517 HydrophobicContact CG1-CB 3.71Å; V514-V517 HydrophobicContact CG1-CG2 3.47Å; V514-V517 VanDerWaalsContact CG1-CG2 3.47Å; V514-V534 WeakPolarHBondContact CG1-O 3.37Å; V514-S535 CarbonylContact O-C 3.58Å; V514-S535 WeakPolarHBondContact O-CA 3.42Å; V514-A536 HydrophobicContact CB-CB 4.3Å; V514-A536 PolarHBondContact N-O 3.12Å; V514-A536 PolarHBondContact O-N 3.33Å; V514-F538 HydrophobicContact CG2-CE2 4.03Å; V514-L557 HydrophobicContact CG1-CD1 4.2Å; V514-M561 HydrophobicContact CG2-CE 4.35Å; V514-M561 HydrophobicContact CG2-CG 3.71Å; V514-M561 HydrophobicContact CG2-SD 4.16Å; V514-V572 HydrophobicContact CG1-CG2 4.42Å; V514-V572 HydrophobicContact CG2-CG1 4.33Å; V514-V572 HydrophobicContact CG2-CG2 4.47Å
515	E	87.2	Confident	73.8	Confident	91 Å²	91	72 Å²	72	43%	0.425	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	110.2	-171.2	-66.9	177	-158.8	0	0	110.5	S513 V517 G570 D571	S513-E515 WeakPolarHBondContact OG-CG 3.37Å; S513-E515 PolarHBondContact OG-OE1 3.09Å; E515-V517 PolarHBondContact O-N 3.04Å; E515-G570 CarbonylContact O-C 3.55Å; E515-G570 WeakPolarHBondContact O-CA 3.45Å; E515-D571 PolarHBondContact N-O 3.14Å; E515-D571 PolarHBondContact O-N 3.18Å
516	H	85.6	Confident	74.2	Confident	71 Å²	71	72.5 Å²	72.5	33%	0.329	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58	31.4	172	-66.8	-73.5	0	0	0	114.9	S518 D533 V534 S535 K569 G570	H516-S518 PolarHBondContact O-N 2.61Å; H516-D533 VanDerWaalsContact CA-OD1 3.24Å; H516-D533 WeakPolarHBondContact CA-OD1 3.48Å; H516-D533 WeakPolarHBondContact CB-OD1 3.39Å; H516-D533 IonicContact CG-OD1 2.69Å; H516-D533 IonicContact ND1-OD1 3.9Å; H516-D533 PolarHBondContact ND1-OD1 3.02Å; H516-D533 IonicContact ND1-OD2 2.75Å; H516-D533 PolarHBondContact ND1-OD2 3.18Å; H516-V534 PolarHBondContact N-O 3.41Å; H516-S535 PolarHBondContact N-OG 3.32Å; H516-K569 CarbonylContact O-C 3.55Å; H516-G570 WeakPolarHBondContact O-CA 3.48Å
517	V	86.8	Confident	74.6	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	118.3	-172	167.2	0	0	0	0	112	V514 E515 L531 D533 V534 I560 P567 K569 D571 V572	V514-V517 HydrophobicContact CG1-CB 3.71Å; V514-V517 HydrophobicContact CG1-CG2 3.47Å; V514-V517 VanDerWaalsContact CG1-CG2 3.47Å; E515-V517 PolarHBondContact O-N 3.04Å; V517-L531 HydrophobicContact CG1-CD1 4.1Å; V517-D533 PolarHBondContact O-N 3.46Å; V517-V534 PolarHBondContact N-O 2.89Å; V517-V534 PolarHBondContact O-N 2.89Å; V517-I560 HydrophobicContact CG1-CD1 4.01Å; V517-I560 HydrophobicContact CG1-CG2 3.94Å; V517-P567 HydrophobicContact CG1-CB 4.2Å; V517-P567 HydrophobicContact CG2-CB 4.43Å; V517-K569 CarbonylContact C-O 3.57Å; V517-K569 WeakPolarHBondContact CA-O 3.35Å; V517-D571 WeakPolarHBondContact CG2-O 3.46Å; V517-V572 HydrophobicContact CG2-CG2 4.07Å
518	S	85.9	Confident	75.5	Confident	26 Å²	26	67.3 Å²	67.3	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.3	174.8	-60.8	0	0	0	0	110.9	H516 D533 T568 K569	H516-S518 PolarHBondContact O-N 2.61Å; S518-D533 PolarHBondContact OG-N 3.46Å; S518-T568 WeakPolarHBondContact O-CA 3.08Å; S518-T568 VanDerWaalsContact O-CB 3.27Å; S518-T568 WeakPolarHBondContact O-CB 3.45Å; S518-T568 PolarHBondContact O-N 3.45Å; S518-K569 PolarHBondContact N-O 3.44Å; S518-K569 PolarHBondContact O-N 2.6Å
519	M	85	Confident	76.5	Confident	18 Å²	18	67.5 Å²	67.5	9%	0.089	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	127.3	-179.9	-172.7	56.1	165.7	0	0	112	Y521 A530 L531 T556 I560 F565 T568	M519-Y521 HydrophobicContact CE-CD1 4.29Å; M519-Y521 HydrophobicContact CE-CE1 3.67Å; M519-Y521 HydrophobicContact CG-CE2 4.16Å; M519-A530 PolarHBondContact O-N 3.28Å; M519-L531 HydrophobicContact CB-CB 4.03Å; M519-L531 HydrophobicContact CB-CD1 4.15Å; M519-L531 HydrophobicContact CB-CG 4.24Å; M519-L531 PolarHBondContact N-O 3.48Å; M519-L531 PolarHBondContact O-N 3.19Å; M519-T556 HydrophobicContact CB-CG2 4.04Å; M519-T556 HydrophobicContact CG-CG2 3.69Å; M519-I560 HydrophobicContact CB-CD1 3.84Å; M519-I560 HydrophobicContact CG-CD1 3.98Å; M519-I560 HydrophobicContact SD-CD1 4.35Å; M519-F565 HydrophobicContact CE-CB 4.18Å; M519-T568 WeakPolarHBondContact CA-OG1 3.37Å; M519-T568 PolarHBondContact SD-OG1 3.12Å; M519-T568 VanDerWaalsContact SD-OG1 3.32Å
520	C	83.1	Confident	77.1	Confident	47 Å²	47	64.1 Å²	64.1	32%	0.318	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.8	177.6	-170	0	0	0	0	111.9	G522 T568	C520-G522 PolarHBondContact O-N 3.07Å; C520-T568 PolarHBondContact N-OG1 3.24Å
521	Y	78.7	Confident	77.6	Confident	92 Å²	92	61.6 Å²	61.6	36%	0.361	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	101.1	175.6	-70.5	-72.8	0	0	0	111.3	M519 K528 A530 T556	M519-Y521 HydrophobicContact CE-CD1 4.29Å; M519-Y521 HydrophobicContact CE-CE1 3.67Å; M519-Y521 HydrophobicContact CG-CE2 4.16Å; Y521-K528 PolarHBondContact N-O 3.29Å; Y521-K528 PolarHBondContact O-N 3.34Å; Y521-A530 HydrophobicContact CD2-CB 3.67Å; Y521-A530 HydrophobicContact CE2-CB 3.73Å; Y521-T556 HydrophobicContact CE2-CG2 3.86Å
522	G	66.5	Low	77.7	Confident	29 Å²	29	64.3 Å²	64.3	30%	0.299	34%	0.339	S	S	.	.	S	Bend	trans	125	162.4	168.9	0	0	0	0	0	114.3	R375 C520	R375-G522 VanDerWaalsContact NH1-CA 3.34Å; C520-G522 PolarHBondContact O-N 3.07Å
523	I	60	Low	77.5	Confident	160 Å²	160	65.8 Å²	65.8	82%	0.821	35%	0.347	S	S	*	.	S	Bend	trans	-104.2	134	-171.6	-54.4	173.2	0	0	0	109.3
524	G	56.4	Low	77.5	Confident	63 Å²	63	64.9 Å²	64.9	65%	0.649	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	68.5	-153.3	177.2	0	0	0	0	0	114.3	K526 G527	G524-K526 PolarHBondContact O-N 3.31Å; G524-G527 PolarHBondContact O-N 2.97Å
525	K	50.9	Low	77.4	Confident	227 Å²	227	66.2 Å²	66.2	99%	0.987	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-60.2	-4.4	-174.7	-65.4	-172.1	177.6	-175.5	0	115.9
526	K	57.5	Low	77.5	Confident	124 Å²	124	62.2 Å²	62.2	54%	0.539	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-104.2	6	174.7	-69.9	-171.2	174.6	-172.1	0	113.3	A370 G524 K528	A370-K526 PolarHBondContact O-NZ 3.07Å; A370-K526 VanDerWaalsContact O-NZ 3.14Å; G524-K526 PolarHBondContact O-N 3.31Å; K526-K528 PolarHBondContact O-N 3.04Å
527	G	62.4	Low	77.6	Confident	30 Å²	30	61.8 Å²	61.8	31%	0.309	33%	0.331	S	S	.	.			trans	-65.2	123.8	176	0	0	0	0	0	111.6	G524	G524-G527 PolarHBondContact O-N 2.97Å
528	K	75.2	Confident	77.8	Confident	137 Å²	137	62 Å²	62	60%	0.596	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.2	173.1	-171.8	-178.6	178.4	-172.9	0	109.3	Y521 K526 A530	Y521-K528 PolarHBondContact N-O 3.29Å; Y521-K528 PolarHBondContact O-N 3.34Å; K526-K528 PolarHBondContact O-N 3.04Å; K528-A530 PolarHBondContact O-N 3.03Å
529	M	81.5	Confident	78	Confident	115 Å²	115	60.9 Å²	60.9	57%	0.567	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.8	172.6	-155.1	169	-82	0	0	109.6	K532	M529-K532 HydrophobicContact CG-CD 4.42Å; M529-K532 HydrophobicContact CG-CG 3.86Å; M529-K532 HydrophobicContact SD-CB 4.44Å; M529-K532 HydrophobicContact SD-CD 3.63Å; M529-K532 HydrophobicContact SD-CG 3.59Å; M529-K532 VanDerWaalsContact SD-CG 3.59Å
530	A	85.6	Confident	78.1	Confident	20 Å²	20	61.9 Å²	61.9	17%	0.165	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-32.8	-177.4	0	0	0	0	0	112.5	M519 Y521 K528 T556 G751	M519-A530 PolarHBondContact O-N 3.28Å; Y521-A530 HydrophobicContact CD2-CB 3.67Å; Y521-A530 HydrophobicContact CE2-CB 3.73Å; K528-A530 PolarHBondContact O-N 3.03Å; A530-T556 HydrophobicContact CB-CG2 4.26Å; A530-G751 WeakPolarHBondContact O-CA 3.48Å
531	L	89.8	Confident	78.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.4	169.6	-60.3	172	0	0	0	109.2	V517 M519 V534 T556 L557 I560 I748 G751	V517-L531 HydrophobicContact CG1-CD1 4.1Å; M519-L531 HydrophobicContact CB-CB 4.03Å; M519-L531 HydrophobicContact CB-CD1 4.15Å; M519-L531 HydrophobicContact CB-CG 4.24Å; M519-L531 PolarHBondContact N-O 3.48Å; M519-L531 PolarHBondContact O-N 3.19Å; L531-V534 HydrophobicContact CB-CG2 4.25Å; L531-V534 HydrophobicContact CD2-CG2 4.26Å; L531-T556 HydrophobicContact CD1-CG2 3.87Å; L531-T556 HydrophobicContact CG-CG2 4.08Å; L531-L557 HydrophobicContact CD1-CB 4.02Å; L531-L557 HydrophobicContact CD1-CD1 3.96Å; L531-L557 HydrophobicContact CD2-CB 4.06Å; L531-I560 HydrophobicContact CD1-CD1 3.75Å; L531-I748 HydrophobicContact CD2-CD1 3.75Å; L531-G751 CarbonylContact C-O 3.54Å; L531-G751 WeakPolarHBondContact CA-O 3.38Å
532	K	86.9	Confident	78.6	Confident	79 Å²	79	58.3 Å²	58.3	34%	0.343	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	114.2	177.7	-39.1	-169.3	-159.7	153.2	0	109	M529 V534 G750 G751 E752	M529-K532 HydrophobicContact CG-CD 4.42Å; M529-K532 HydrophobicContact CG-CG 3.86Å; M529-K532 HydrophobicContact SD-CB 4.44Å; M529-K532 HydrophobicContact SD-CD 3.63Å; M529-K532 HydrophobicContact SD-CG 3.59Å; M529-K532 VanDerWaalsContact SD-CG 3.59Å; K532-V534 WeakPolarHBondContact O-CG2 3.15Å; K532-V534 PolarHBondContact O-N 3.43Å; K532-G750 WeakPolarHBondContact CE-O 3.49Å; K532-G751 PolarHBondContact N-O 3.18Å; K532-E752 HydrophobicContact CB-CG 3.96Å; K532-E752 HydrophobicContact CD-CG 4.07Å; K532-E752 WeakPolarHBondContact CD-OE1 3.36Å; K532-E752 WeakPolarHBondContact CE-OE1 3.42Å; K532-E752 HydrophobicContact CG-CG 4.21Å; K532-E752 IonicContact NZ-OE1 3.75Å; K532-E752 PolarHBondContact NZ-OE1 2.86Å
533	D	85.3	Confident	79.9	Confident	32 Å²	32	57 Å²	57	17%	0.171	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	41.5	48	170.4	-153.1	31.7	0	0	0	114.3	G498 D499 H516 V517 S518 S535	G498-D533 WeakPolarHBondContact CA-OD2 3.4Å; D499-D533 PolarHBondContact N-OD2 2.79Å; H516-D533 VanDerWaalsContact CA-OD1 3.24Å; H516-D533 WeakPolarHBondContact CA-OD1 3.48Å; H516-D533 WeakPolarHBondContact CB-OD1 3.39Å; H516-D533 IonicContact CG-OD1 2.69Å; H516-D533 IonicContact ND1-OD1 3.9Å; H516-D533 PolarHBondContact ND1-OD1 3.02Å; H516-D533 IonicContact ND1-OD2 2.75Å; H516-D533 PolarHBondContact ND1-OD2 3.18Å; V517-D533 PolarHBondContact O-N 3.46Å; S518-D533 PolarHBondContact OG-N 3.46Å; D533-S535 PolarHBondContact O-N 2.91Å
534	V	88.7	Confident	81.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.8	-175.6	178.3	0	0	0	0	109.2	V514 H516 V517 L531 K532 L557 G751 L753	V514-V534 WeakPolarHBondContact CG1-O 3.37Å; H516-V534 PolarHBondContact N-O 3.41Å; V517-V534 PolarHBondContact N-O 2.89Å; V517-V534 PolarHBondContact O-N 2.89Å; L531-V534 HydrophobicContact CB-CG2 4.25Å; L531-V534 HydrophobicContact CD2-CG2 4.26Å; K532-V534 WeakPolarHBondContact O-CG2 3.15Å; K532-V534 PolarHBondContact O-N 3.43Å; V534-L557 HydrophobicContact CB-CD1 4.41Å; V534-L557 HydrophobicContact CG1-CD1 3.96Å; V534-L557 HydrophobicContact CG1-CD2 4Å; V534-G751 VanDerWaalsContact CG2-O 3.3Å; V534-G751 WeakPolarHBondContact CG2-O 3.3Å; V534-L753 HydrophobicContact CG1-CB 4.24Å
535	S	87.5	Confident	83.3	Confident	30 Å²	30	46.4 Å²	46.4	21%	0.21	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.2	168.8	-60.1	0	0	0	0	110.9	Q503 V514 H516 D533 L753	Q503-S535 PolarHBondContact NE2-O 2.96Å; V514-S535 CarbonylContact O-C 3.58Å; V514-S535 WeakPolarHBondContact O-CA 3.42Å; H516-S535 PolarHBondContact N-OG 3.32Å; D533-S535 PolarHBondContact O-N 2.91Å; S535-L753 WeakPolarHBondContact O-CD2 3.38Å
536	A	87.9	Confident	85.3	Confident	6 Å²	6	35.8 Å²	35.8	5%	0.05	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	129.7	-175.5	0	0	0	0	0	112.3	V514 F538 L753	V514-A536 HydrophobicContact CB-CB 4.3Å; V514-A536 PolarHBondContact N-O 3.12Å; V514-A536 PolarHBondContact O-N 3.33Å; A536-F538 HydrophobicContact CB-CE2 3.77Å; A536-F538 HydrophobicContact CB-CZ 4.1Å; A536-L753 HydrophobicContact CB-CD2 4.22Å
537	E	88.9	Confident	87	Confident	63 Å²	63	30 Å²	30	29%	0.294	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143.6	172.5	-63.8	-178.6	175.6	0	0	111.2	V510 Y539	V510-E537 HydrophobicContact CG1-CB 4.3Å; V510-E537 HydrophobicContact CG2-CB 4.36Å; E537-Y539 HydrophobicContact CB-CE1 4.4Å; E537-Y539 HydrophobicContact CB-CE2 4.34Å; E537-Y539 PolarHBondContact OE2-OH 2.82Å
538	F	91	Very high	88.3	Confident	5 Å²	5	28.6 Å²	28.6	2%	0.022	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.9	176.4	-58.8	-94	0	0	0	110.1	D511 L512 V514 A536 T544 M561 I729	D511-F538 PolarHBondContact N-O 2.75Å; L512-F538 HydrophobicContact CB-CB 4.25Å; L512-F538 HydrophobicContact CB-CD2 4.37Å; L512-F538 HydrophobicContact CD2-CD2 3.9Å; L512-F538 HydrophobicContact CD2-CE2 4.26Å; L512-F538 PolarHBondContact N-O 2.85Å; L512-F538 WeakPolarHBondContact O-CD2 3.35Å; L512-F538 PolarHBondContact O-N 2.95Å; V514-F538 HydrophobicContact CG2-CE2 4.03Å; A536-F538 HydrophobicContact CB-CE2 3.77Å; A536-F538 HydrophobicContact CB-CZ 4.1Å; F538-T544 HydrophobicContact CD1-CG2 3.8Å; F538-T544 HydrophobicContact CE1-CG2 3.66Å; F538-M561 HydrophobicContact CD2-CE 3.97Å; F538-M561 HydrophobicContact CE1-CE 4.19Å; F538-M561 HydrophobicContact CE2-CE 3.37Å; F538-M561 HydrophobicContact CE2-SD 4.26Å; F538-M561 HydrophobicContact CZ-CE 3.5Å; F538-M561 VanDerWaalsContact CZ-CE 3.5Å; F538-M561 HydrophobicContact CZ-SD 4.22Å; F538-I729 HydrophobicContact CB-CD1 3.92Å; F538-I729 HydrophobicContact CB-CG1 4.47Å; F538-I729 HydrophobicContact CD1-CB 4.47Å; F538-I729 HydrophobicContact CD1-CD1 3.47Å; F538-I729 VanDerWaalsContact CD1-CD1 3.47Å; F538-I729 HydrophobicContact CD1-CG1 3.62Å; F538-I729 HydrophobicContact CD1-CG2 4.1Å; F538-I729 HydrophobicContact CD2-CD1 4.08Å; F538-I729 HydrophobicContact CE1-CB 4.48Å; F538-I729 HydrophobicContact CE1-CD1 3.95Å; F538-I729 HydrophobicContact CE1-CG1 4.08Å; F538-I729 HydrophobicContact CE1-CG2 3.63Å; F538-I729 HydrophobicContact CE2-CD1 4.49Å; F538-I729 HydrophobicContact CG-CD1 3.55Å; F538-I729 HydrophobicContact CG-CG1 4.16Å; F538-I729 HydrophobicContact CZ-CD1 4.43Å; F538-I729 HydrophobicContact CZ-CG2 4.28Å
539	Y	88.9	Confident	88.8	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	150.5	-170.4	-53.8	-80.2	0	0	0	113.1	F508 P509 V510 E537 G541 E542 T727 R744	F508-Y539 HydrophobicContact CB-CD1 3.89Å; F508-Y539 HydrophobicContact CB-CG 4.16Å; P509-Y539 WeakPolarHBondContact O-CA 3.37Å; V510-Y539 HydrophobicContact CG2-CD1 3.77Å; V510-Y539 HydrophobicContact CG2-CE1 3.59Å; E537-Y539 HydrophobicContact CB-CE1 4.4Å; E537-Y539 HydrophobicContact CB-CE2 4.34Å; E537-Y539 PolarHBondContact OE2-OH 2.82Å; Y539-G541 PolarHBondContact O-N 3.41Å; Y539-E542 WeakPolarHBondContact CD2-OE2 3.18Å; Y539-E542 PolarHBondContact O-N 3.14Å; Y539-T727 WeakPolarHBondContact O-CG2 3.5Å; Y539-T727 PolarHBondContact O-OG1 2.73Å; Y539-R744 VanDerWaalsContact CE2-CZ 3.45Å
540	A	87.3	Confident	88.9	Confident	39 Å²	39	23.7 Å²	23.7	32%	0.322	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	123.7	-174.2	0	0	0	0	0	113	P509 E542 T727	P509-A540 HydrophobicContact CG-CB 3.87Å; P509-A540 PolarHBondContact O-N 2.96Å; A540-E542 VanDerWaalsContact C-N 3.34Å; A540-T727 VanDerWaalsContact CA-OG1 3.29Å; A540-T727 WeakPolarHBondContact CA-OG1 3.16Å
541	G	85.1	Confident	88.7	Confident	32 Å²	32	27.5 Å²	27.5	33%	0.33	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	5.9	175.4	0	0	0	0	0	115.6	Y539 T727	Y539-G541 PolarHBondContact O-N 3.41Å; G541-T727 PolarHBondContact N-OG1 2.82Å
542	E	88.2	Confident	88.5	Confident	31 Å²	31	27.9 Å²	27.9	15%	0.145	17%	0.174	C	C	.	.			trans	-91.9	157.9	171.2	-65.5	-172.1	157.9	0	0	111.9	Y539 A540 V728 D743 R744	Y539-E542 WeakPolarHBondContact CD2-OE2 3.18Å; Y539-E542 PolarHBondContact O-N 3.14Å; A540-E542 VanDerWaalsContact C-N 3.34Å; E542-V728 PolarHBondContact O-N 3.24Å; E542-D743 HydrophobicContact CB-CB 4.38Å; E542-R744 WeakPolarHBondContact OE2-CD 3.44Å
543	V	92.4	Very high	88.4	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.5	167.2	-173.4	0	0	0	0	109.5	K723 V728 F730 L741 A742 D743 R744	V543-K723 HydrophobicContact CG2-CB 3.96Å; V543-K723 HydrophobicContact CG2-CD 3.62Å; V543-K723 HydrophobicContact CG2-CG 3.69Å; V543-V728 CarbonylContact C-O 3.52Å; V543-V728 VanDerWaalsContact CA-O 3.28Å; V543-V728 WeakPolarHBondContact CA-O 3.33Å; V543-V728 HydrophobicContact CG1-CB 4.23Å; V543-V728 HydrophobicContact CG1-CG1 4.38Å; V543-V728 HydrophobicContact CG2-CB 4.21Å; V543-F730 HydrophobicContact CG1-CD1 3.83Å; V543-F730 HydrophobicContact CG1-CE1 3.65Å; V543-L741 WeakPolarHBondContact CG1-O 3.47Å; V543-A742 CarbonylContact O-C 3.58Å; V543-A742 WeakPolarHBondContact O-CA 3.35Å; V543-D743 PolarHBondContact N-OD2 3.4Å; V543-D743 PolarHBondContact O-N 3.3Å; V543-R744 PolarHBondContact O-N 3.43Å; V543-R744 VanDerWaalsContact O-N 3.14Å
544	T	93.8	Very high	88.6	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121	179.3	-54.3	0	0	0	0	111.7	F538 V728 I729 F730 R744 A746	F538-T544 HydrophobicContact CD1-CG2 3.8Å; F538-T544 HydrophobicContact CE1-CG2 3.66Å; T544-V728 PolarHBondContact N-O 2.93Å; T544-I729 WeakPolarHBondContact O-CA 3.38Å; T544-F730 PolarHBondContact O-N 3.11Å; T544-R744 CarbonylContact C-O 3.51Å; T544-R744 VanDerWaalsContact CA-O 3.29Å; T544-R744 WeakPolarHBondContact CA-O 3.46Å; T544-R744 HydrophobicContact CG2-CB 4.3Å; T544-A746 HydrophobicContact CG2-CB 4.43Å
545	A	94.5	Very high	88.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.6	174.2	0	0	0	0	0	112.1	I547 F730 A738 A742 R744 I745 A746	A545-I547 HydrophobicContact CB-CG1 4.37Å; A545-F730 CarbonylContact C-O 3.24Å; A545-F730 WeakPolarHBondContact CA-O 3.48Å; A545-F730 HydrophobicContact CB-CD1 4.45Å; A545-F730 HydrophobicContact CB-CE1 3.81Å; A545-F730 HydrophobicContact CB-CE2 3.99Å; A545-F730 HydrophobicContact CB-CZ 3.56Å; A545-A738 HydrophobicContact CB-CB 3.71Å; A545-A742 HydrophobicContact CB-CB 3.57Å; A545-R744 PolarHBondContact N-O 2.98Å; A545-I745 HydrophobicContact CB-CG1 4.42Å; A545-A746 PolarHBondContact O-N 3.17Å
546	L	94	Very high	88.6	Confident	4 Å²	4	25 Å²	25	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	104.5	170.4	-175	68.6	0	0	0	109.9	K554 L557 L558 F730 S731 T732 A746 I748	L546-K554 HydrophobicContact CD2-CB 4.02Å; L546-K554 HydrophobicContact CD2-CG 4.2Å; L546-K554 HydrophobicContact CG-CG 4.2Å; L546-K554 WeakPolarHBondContact O-CD 3.35Å; L546-L557 HydrophobicContact CD1-CD2 4.17Å; L546-L557 HydrophobicContact CD2-CB 4.4Å; L546-L557 HydrophobicContact CD2-CD2 3.89Å; L546-L558 HydrophobicContact CD2-CD2 4.07Å; L546-L558 HydrophobicContact CD2-CG 4.38Å; L546-F730 PolarHBondContact N-O 3.44Å; L546-S731 WeakPolarHBondContact O-CA 3.49Å; L546-T732 PolarHBondContact O-N 2.91Å; L546-A746 CarbonylContact C-O 3.59Å; L546-A746 WeakPolarHBondContact CA-O 3.23Å; L546-A746 HydrophobicContact CD1-CB 4.07Å; L546-I748 HydrophobicContact CD1-CB 4.15Å; L546-I748 HydrophobicContact CD1-CG2 3.89Å; L546-I748 HydrophobicContact CG-CG2 4.09Å
547	I	92.3	Very high	88.7	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.7	-175.3	-57.2	-177.2	0	0	0	110.4	A545 T732 L735 A738 I745 A746 I747 I748 L851 Y855	A545-I547 HydrophobicContact CB-CG1 4.37Å; I547-T732 HydrophobicContact CG1-CG2 4.4Å; I547-L735 HydrophobicContact CD1-CD2 3.95Å; I547-L735 HydrophobicContact CG2-CD2 3.44Å; I547-L735 VanDerWaalsContact CG2-CD2 3.44Å; I547-A738 HydrophobicContact CD1-CB 3.34Å; I547-A738 HydrophobicContact CG1-CB 3.83Å; I547-I745 HydrophobicContact CD1-CD1 4.31Å; I547-I745 HydrophobicContact CD1-CG2 3.35Å; I547-I745 HydrophobicContact CG1-CG2 3.96Å; I547-A746 PolarHBondContact N-O 3.39Å; I547-I747 HydrophobicContact CB-CG1 4.44Å; I547-I747 CarbonylContact O-C 3.51Å; I547-I747 WeakPolarHBondContact O-CA 3.11Å; I547-I748 WeakPolarHBondContact O-CG2 3.45Å; I547-I748 PolarHBondContact O-N 3.39Å; I547-L851 HydrophobicContact CD1-CD2 3.75Å; I547-L851 HydrophobicContact CD1-CG 4.44Å; I547-Y855 HydrophobicContact CG2-CD2 3.76Å; I547-Y855 HydrophobicContact CG2-CE2 3.85Å
548	G	89.5	Confident	88.7	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.01	15%	0.148	C	C	.	.			trans	176	158	176.9	0	0	0	0	0	113.1	K554 I748	G548-K554 PolarHBondContact O-NZ 3.47Å; G548-I748 WeakPolarHBondContact CA-O 3.5Å
549	A	86.6	Confident	88.5	Confident	50 Å²	50	21.9 Å²	21.9	41%	0.413	15%	0.149	S	C	.	.			trans	-59.7	162.9	175.1	0	0	0	0	0	112.4	S551 S552 Y855	A549-S551 PolarHBondContact O-N 2.77Å; A549-S552 WeakPolarHBondContact O-CB 3.19Å; A549-S552 PolarHBondContact O-N 3.42Å; A549-S552 VanDerWaalsContact O-N 3.09Å; A549-S552 PolarHBondContact O-OG 3.04Å; A549-Y855 PolarHBondContact N-OH 3.4Å; A549-Y855 VanDerWaalsContact N-OH 3.13Å
550	N	82.4	Confident	88.3	Confident	99 Å²	99	22 Å²	22	53%	0.529	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	133.9	171.6	-74	-46.8	0	0	0	110.8	Q733	N550-Q733 PolarHBondContact ND2-OE1 3.25Å
551	S	81.7	Confident	88.3	Confident	100 Å²	100	20.1 Å²	20.1	70%	0.699	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	13.9	-169.9	-38.2	0	0	0	0	116.6	A549 G553	A549-S551 PolarHBondContact O-N 2.77Å; S551-G553 VanDerWaalsContact C-N 3.33Å
552	S	86.2	Confident	88.2	Confident	8 Å²	8	18.9 Å²	18.9	6%	0.056	12%	0.12	C	C	.	.	S	Bend	trans	-71.2	-21.3	174.3	53.2	0	0	0	0	115	A549 I748 G751	A549-S552 WeakPolarHBondContact O-CB 3.19Å; A549-S552 PolarHBondContact O-N 3.42Å; A549-S552 VanDerWaalsContact O-N 3.09Å; A549-S552 PolarHBondContact O-OG 3.04Å; S552-I748 WeakPolarHBondContact CB-O 3.36Å; S552-G751 VanDerWaalsContact O-CA 3.3Å; S552-G751 WeakPolarHBondContact O-CA 3.26Å; S552-G751 PolarHBondContact O-N 3.15Å
553	G	84.6	Confident	87.5	Confident	8 Å²	8	18.5 Å²	18.5	8%	0.082	13%	0.125	C	C	.	.	S	Bend	trans	126.4	-15.1	-178.2	0	0	0	0	0	114.9	S551 T555 T556 L557	S551-G553 VanDerWaalsContact C-N 3.33Å; G553-T555 PolarHBondContact O-N 3.25Å; G553-T556 WeakPolarHBondContact O-CA 3.47Å; G553-T556 VanDerWaalsContact O-CB 3.31Å; G553-T556 WeakPolarHBondContact O-CB 3.45Å; G553-T556 PolarHBondContact O-N 3.16Å; G553-L557 PolarHBondContact O-N 2.99Å
554	K	90.3	Very high	86.5	Confident	7 Å²	7	19.6 Å²	19.6	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-40.5	-64.6	-172.6	-58.9	-174.5	-50.7	-157.8	0	115.3	L546 G548 T556 L557 L558 E702 T732 I748	L546-K554 HydrophobicContact CD2-CB 4.02Å; L546-K554 HydrophobicContact CD2-CG 4.2Å; L546-K554 HydrophobicContact CG-CG 4.2Å; L546-K554 WeakPolarHBondContact O-CD 3.35Å; G548-K554 PolarHBondContact O-NZ 3.47Å; K554-T556 VanDerWaalsContact C-N 3.3Å; K554-T556 PolarHBondContact O-N 3.43Å; K554-L557 WeakPolarHBondContact O-CB 3.11Å; K554-L557 PolarHBondContact O-N 3.36Å; K554-L557 VanDerWaalsContact O-N 3.11Å; K554-L558 PolarHBondContact O-N 2.92Å; K554-E702 WeakPolarHBondContact CE-OE1 3.39Å; K554-E702 IonicContact NZ-OE1 2.82Å; K554-E702 PolarHBondContact NZ-OE1 2.95Å; K554-T732 PolarHBondContact NZ-O 3.36Å; K554-I748 HydrophobicContact CG-CG2 3.63Å
555	T	86.9	Confident	85.5	Confident	44 Å²	44	23.3 Å²	23.3	27%	0.27	15%	0.147	S	C	.	.	H	α-helix	trans	-61.1	-38.5	-178.8	-50.9	0	0	0	0	111.8	G553 L557 L558 S559 R595 D701	G553-T555 PolarHBondContact O-N 3.25Å; T555-L557 VanDerWaalsContact C-N 3.32Å; T555-L557 PolarHBondContact O-N 3.04Å; T555-L558 PolarHBondContact O-N 3.33Å; T555-S559 WeakPolarHBondContact O-CB 3.49Å; T555-S559 PolarHBondContact O-N 3.08Å; T555-S559 PolarHBondContact O-OG 3.29Å; T555-R595 PolarHBondContact OG1-NH2 3.35Å; T555-D701 WeakPolarHBondContact CG2-OD2 3.4Å; T555-D701 PolarHBondContact OG1-OD1 2.87Å; T555-D701 VanDerWaalsContact OG1-OD1 3.11Å; T555-D701 PolarHBondContact OG1-OD2 2.98Å
556	T	87.4	Confident	84.6	Confident	22 Å²	22	28.3 Å²	28.3	14%	0.135	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-41.7	175.4	-56.9	0	0	0	0	111.5	M519 Y521 A530 L531 G553 K554 I560	M519-T556 HydrophobicContact CB-CG2 4.04Å; M519-T556 HydrophobicContact CG-CG2 3.69Å; Y521-T556 HydrophobicContact CE2-CG2 3.86Å; A530-T556 HydrophobicContact CB-CG2 4.26Å; L531-T556 HydrophobicContact CD1-CG2 3.87Å; L531-T556 HydrophobicContact CG-CG2 4.08Å; G553-T556 WeakPolarHBondContact O-CA 3.47Å; G553-T556 VanDerWaalsContact O-CB 3.31Å; G553-T556 WeakPolarHBondContact O-CB 3.45Å; G553-T556 PolarHBondContact O-N 3.16Å; K554-T556 VanDerWaalsContact C-N 3.3Å; K554-T556 PolarHBondContact O-N 3.43Å; T556-I560 HydrophobicContact CG2-CD1 4.07Å; T556-I560 WeakPolarHBondContact O-CG1 3.23Å; T556-I560 PolarHBondContact O-N 3.46Å; T556-I560 VanDerWaalsContact O-N 3.08Å
557	L	90.6	Very high	84.1	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-50.6	177	-174.3	62.5	0	0	0	110.7	V514 L531 V534 L546 G553 K554 T555 S559 I560 M561 I748	V514-L557 HydrophobicContact CG1-CD1 4.2Å; L531-L557 HydrophobicContact CD1-CB 4.02Å; L531-L557 HydrophobicContact CD1-CD1 3.96Å; L531-L557 HydrophobicContact CD2-CB 4.06Å; V534-L557 HydrophobicContact CB-CD1 4.41Å; V534-L557 HydrophobicContact CG1-CD1 3.96Å; V534-L557 HydrophobicContact CG1-CD2 4Å; L546-L557 HydrophobicContact CD1-CD2 4.17Å; L546-L557 HydrophobicContact CD2-CB 4.4Å; L546-L557 HydrophobicContact CD2-CD2 3.89Å; G553-L557 PolarHBondContact O-N 2.99Å; K554-L557 WeakPolarHBondContact O-CB 3.11Å; K554-L557 PolarHBondContact O-N 3.36Å; K554-L557 VanDerWaalsContact O-N 3.11Å; T555-L557 VanDerWaalsContact C-N 3.32Å; T555-L557 PolarHBondContact O-N 3.04Å; L557-S559 VanDerWaalsContact C-N 3.31Å; L557-S559 PolarHBondContact O-N 3.22Å; L557-I560 PolarHBondContact O-N 3Å; L557-I560 VanDerWaalsContact O-N 3.14Å; L557-M561 HydrophobicContact CD1-SD 4.46Å; L557-M561 HydrophobicContact CG-SD 3.88Å; L557-M561 VanDerWaalsContact O-CG 3.25Å; L557-M561 WeakPolarHBondContact O-CG 3.3Å; L557-M561 PolarHBondContact O-N 2.89Å; L557-I748 HydrophobicContact CD2-CD1 4.41Å
558	L	90.1	Very high	83.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-40.3	177.1	-63.7	-166	0	0	0	112.4	L546 K554 T555 M561 C562 V699 D701 I729	L546-L558 HydrophobicContact CD2-CD2 4.07Å; L546-L558 HydrophobicContact CD2-CG 4.38Å; K554-L558 PolarHBondContact O-N 2.92Å; T555-L558 PolarHBondContact O-N 3.33Å; L558-M561 HydrophobicContact CD2-SD 3.97Å; L558-M561 PolarHBondContact O-N 3.17Å; L558-C562 PolarHBondContact O-N 2.79Å; L558-C562 PolarHBondContact O-SG 3.22Å; L558-V699 HydrophobicContact CB-CG1 3.86Å; L558-V699 HydrophobicContact CD1-CG1 3.86Å; L558-V699 HydrophobicContact CD2-CG1 3.81Å; L558-V699 HydrophobicContact CG-CG1 4.04Å; L558-D701 HydrophobicContact CD1-CB 4.01Å; L558-I729 HydrophobicContact CD2-CG2 4.06Å
559	S	85	Confident	83.2	Confident	5 Å²	5	36.9 Å²	36.9	4%	0.035	23%	0.226	C	C	.	.	H	α-helix	trans	-67.2	-33.5	177.4	-62.2	0	0	0	0	113.2	T555 L557 C562 G563 L564	T555-S559 WeakPolarHBondContact O-CB 3.49Å; T555-S559 PolarHBondContact O-N 3.08Å; T555-S559 PolarHBondContact O-OG 3.29Å; L557-S559 VanDerWaalsContact C-N 3.31Å; L557-S559 PolarHBondContact O-N 3.22Å; S559-C562 PolarHBondContact O-N 2.96Å; S559-G563 PolarHBondContact O-N 3.02Å; S559-L564 VanDerWaalsContact O-CB 3.28Å; S559-L564 WeakPolarHBondContact O-CB 3.34Å; S559-L564 WeakPolarHBondContact O-CG 3.34Å; S559-L564 PolarHBondContact O-N 3.31Å
560	I	85.8	Confident	83	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-73.2	-40.6	173.1	-68	165.8	0	0	0	110.6	V517 M519 L531 T556 L557 C562 G563 F565 P567 V572	V517-I560 HydrophobicContact CG1-CD1 4.01Å; V517-I560 HydrophobicContact CG1-CG2 3.94Å; M519-I560 HydrophobicContact CB-CD1 3.84Å; M519-I560 HydrophobicContact CG-CD1 3.98Å; M519-I560 HydrophobicContact SD-CD1 4.35Å; L531-I560 HydrophobicContact CD1-CD1 3.75Å; T556-I560 HydrophobicContact CG2-CD1 4.07Å; T556-I560 WeakPolarHBondContact O-CG1 3.23Å; T556-I560 PolarHBondContact O-N 3.46Å; T556-I560 VanDerWaalsContact O-N 3.08Å; L557-I560 PolarHBondContact O-N 3Å; L557-I560 VanDerWaalsContact O-N 3.14Å; I560-C562 PolarHBondContact O-N 3.15Å; I560-C562 VanDerWaalsContact O-N 3.17Å; I560-G563 PolarHBondContact O-N 3.46Å; I560-F565 HydrophobicContact CG1-CB 4.29Å; I560-P567 HydrophobicContact CG2-CB 4.03Å; I560-P567 HydrophobicContact CG2-CG 4.39Å; I560-V572 HydrophobicContact CG2-CG2 4.02Å
561	M	86.9	Confident	83.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-24.2	173.7	-67.7	166.2	67.8	0	0	113	L512 V514 F538 L557 L558 I579 I729	L512-M561 HydrophobicContact CD1-CB 4.46Å; L512-M561 HydrophobicContact CD1-CE 3.93Å; L512-M561 HydrophobicContact CD2-CE 3.85Å; L512-M561 HydrophobicContact CD2-CG 4.43Å; V514-M561 HydrophobicContact CG2-CE 4.35Å; V514-M561 HydrophobicContact CG2-CG 3.71Å; V514-M561 HydrophobicContact CG2-SD 4.16Å; F538-M561 HydrophobicContact CD2-CE 3.97Å; F538-M561 HydrophobicContact CE1-CE 4.19Å; F538-M561 HydrophobicContact CE2-CE 3.37Å; F538-M561 HydrophobicContact CE2-SD 4.26Å; F538-M561 HydrophobicContact CZ-CE 3.5Å; F538-M561 VanDerWaalsContact CZ-CE 3.5Å; F538-M561 HydrophobicContact CZ-SD 4.22Å; L557-M561 HydrophobicContact CD1-SD 4.46Å; L557-M561 HydrophobicContact CG-SD 3.88Å; L557-M561 VanDerWaalsContact O-CG 3.25Å; L557-M561 WeakPolarHBondContact O-CG 3.3Å; L557-M561 PolarHBondContact O-N 2.89Å; L558-M561 HydrophobicContact CD2-SD 3.97Å; L558-M561 PolarHBondContact O-N 3.17Å; M561-I579 WeakPolarHBondContact O-CD1 3.43Å; M561-I729 HydrophobicContact CE-CD1 3.6Å; M561-I729 HydrophobicContact CE-CG2 4.11Å
562	C	82.8	Confident	83.4	Confident	5 Å²	5	29.2 Å²	29.2	3%	0.034	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	6.4	173.8	-56.7	0	0	0	0	113.9	L558 S559 I560 L564 L590 Y592	L558-C562 PolarHBondContact O-N 2.79Å; L558-C562 PolarHBondContact O-SG 3.22Å; S559-C562 PolarHBondContact O-N 2.96Å; I560-C562 PolarHBondContact O-N 3.15Å; I560-C562 VanDerWaalsContact O-N 3.17Å; C562-L564 HydrophobicContact CB-CD1 4.05Å; C562-L564 HydrophobicContact CB-CD2 4.23Å; C562-L564 HydrophobicContact CB-CG 3.78Å; C562-L564 PolarHBondContact O-N 3.22Å; C562-L590 HydrophobicContact CB-CD2 3.87Å; C562-Y592 HydrophobicContact CB-CD2 4.37Å; C562-Y592 HydrophobicContact CB-CG 4.46Å; C562-Y592 WeakPolarHBondContact SG-CD2 3.24Å
563	G	73.1	Confident	83.5	Confident	23 Å²	23	30.2 Å²	30.2	24%	0.237	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	18.3	-178.6	0	0	0	0	0	115.3	S559 I560 F565	S559-G563 PolarHBondContact O-N 3.02Å; I560-G563 PolarHBondContact O-N 3.46Å; G563-F565 VanDerWaalsContact C-N 3.31Å
564	L	71.4	Confident	83.5	Confident	25 Å²	25	29.9 Å²	29.9	13%	0.131	18%	0.181	C	C	.	.	S	Bend	trans	-73.4	-29.1	-179.2	-49.8	-179.1	0	0	0	111.8	S559 C562 Y592 S604 E605	S559-L564 VanDerWaalsContact O-CB 3.28Å; S559-L564 WeakPolarHBondContact O-CB 3.34Å; S559-L564 WeakPolarHBondContact O-CG 3.34Å; S559-L564 PolarHBondContact O-N 3.31Å; C562-L564 HydrophobicContact CB-CD1 4.05Å; C562-L564 HydrophobicContact CB-CD2 4.23Å; C562-L564 HydrophobicContact CB-CG 3.78Å; C562-L564 PolarHBondContact O-N 3.22Å; L564-Y592 HydrophobicContact CD1-CD1 3.98Å; L564-Y592 HydrophobicContact CD1-CE1 3.66Å; L564-S604 VanDerWaalsContact CD2-O 3.32Å; L564-S604 WeakPolarHBondContact CD2-O 3.42Å; L564-E605 HydrophobicContact CD1-CB 3.94Å; L564-E605 HydrophobicContact CD1-CG 3.67Å; L564-E605 HydrophobicContact CD2-CB 4.41Å; L564-E605 HydrophobicContact CD2-CG 4.45Å; L564-E605 HydrophobicContact CG-CG 4.49Å
565	F	73.8	Confident	83.2	Confident	80 Å²	80	32.4 Å²	32.4	35%	0.351	19%	0.194	S	C	.	.	S	Bend	trans	-129.4	132.9	167.4	-58.3	-67.4	0	0	0	108.6	M519 I560 G563	M519-F565 HydrophobicContact CE-CB 4.18Å; I560-F565 HydrophobicContact CG1-CB 4.29Å; G563-F565 VanDerWaalsContact C-N 3.31Å
566	P	76.1	Confident	82.8	Confident	105 Å²	105	33.5 Å²	33.5	68%	0.682	22%	0.215	S	C	*	.			trans	-64.4	141.3	167.7	28.2	-33.5	0	0	0	109.4
567	P	82.1	Confident	82.6	Confident	41 Å²	41	35.6 Å²	35.6	27%	0.266	22%	0.223	S	C	.	.			trans	-63.9	156.7	173.7	27.9	-33.9	0	0	0	111.2	V517 I560 G570	V517-P567 HydrophobicContact CG1-CB 4.2Å; V517-P567 HydrophobicContact CG2-CB 4.43Å; I560-P567 HydrophobicContact CG2-CB 4.03Å; I560-P567 HydrophobicContact CG2-CG 4.39Å; P567-G570 WeakPolarHBondContact CG-O 3.31Å
568	T	80.8	Confident	82.1	Confident	68 Å²	68	36.5 Å²	36.5	42%	0.417	23%	0.229	S	C	.	.	S	Bend	trans	-78.6	-32.2	172.4	-52.2	0	0	0	0	111.6	S518 M519 C520	S518-T568 WeakPolarHBondContact O-CA 3.08Å; S518-T568 VanDerWaalsContact O-CB 3.27Å; S518-T568 WeakPolarHBondContact O-CB 3.45Å; S518-T568 PolarHBondContact O-N 3.45Å; M519-T568 WeakPolarHBondContact CA-OG1 3.37Å; M519-T568 PolarHBondContact SD-OG1 3.12Å; M519-T568 VanDerWaalsContact SD-OG1 3.32Å; C520-T568 PolarHBondContact N-OG1 3.24Å
569	K	83.1	Confident	81.5	Confident	77 Å²	77	37 Å²	37	34%	0.335	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	158.8	169	-57.1	-171.3	-175.7	-172.9	0	108.3	N495 A496 H516 V517 S518	N495-K569 PolarHBondContact O-NZ 3.35Å; A496-K569 PolarHBondContact O-NZ 3.43Å; H516-K569 CarbonylContact O-C 3.55Å; V517-K569 CarbonylContact C-O 3.57Å; V517-K569 WeakPolarHBondContact CA-O 3.35Å; S518-K569 PolarHBondContact N-O 3.44Å; S518-K569 PolarHBondContact O-N 2.6Å
570	G	82.7	Confident	80.9	Confident	36 Å²	36	41.4 Å²	41.4	37%	0.371	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.9	176.6	-174.6	0	0	0	0	0	112.6	E515 H516 P567	E515-G570 CarbonylContact O-C 3.55Å; E515-G570 WeakPolarHBondContact O-CA 3.45Å; H516-G570 WeakPolarHBondContact O-CA 3.48Å; P567-G570 WeakPolarHBondContact CG-O 3.31Å
571	D	85.2	Confident	80.3	Confident	49 Å²	49	44.6 Å²	44.6	26%	0.262	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	169.2	-179.3	-161.7	10.4	0	0	0	110.8	E515 V517 S578	E515-D571 PolarHBondContact N-O 3.14Å; E515-D571 PolarHBondContact O-N 3.18Å; V517-D571 WeakPolarHBondContact CG2-O 3.46Å; D571-S578 VanDerWaalsContact CG-OG 3.23Å; D571-S578 PolarHBondContact OD1-OG 3.46Å; D571-S578 WeakPolarHBondContact OD2-CB 3.36Å; D571-S578 PolarHBondContact OD2-OG 3.19Å
572	V	87	Confident	79.5	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.8	172.6	-175.7	0	0	0	0	108.3	L512 S513 V514 V517 I560 S578 I579	L512-V572 HydrophobicContact CD2-CG1 3.72Å; L512-V572 HydrophobicContact CG-CG1 4.27Å; S513-V572 WeakPolarHBondContact O-CA 3.23Å; S513-V572 WeakPolarHBondContact O-CG1 3.45Å; V514-V572 HydrophobicContact CG1-CG2 4.42Å; V514-V572 HydrophobicContact CG2-CG1 4.33Å; V514-V572 HydrophobicContact CG2-CG2 4.47Å; V517-V572 HydrophobicContact CG2-CG2 4.07Å; I560-V572 HydrophobicContact CG2-CG2 4.02Å; V572-S578 WeakPolarHBondContact O-CA 3.38Å; V572-I579 HydrophobicContact CB-CD1 3.77Å; V572-I579 HydrophobicContact CB-CG1 4.07Å; V572-I579 HydrophobicContact CG1-CD1 3.46Å; V572-I579 VanDerWaalsContact CG1-CD1 3.46Å; V572-I579 HydrophobicContact CG1-CG1 4.07Å; V572-I579 WeakPolarHBondContact O-CG1 3.46Å; V572-I579 PolarHBondContact O-N 3.48Å
573	V	86.9	Confident	79	Confident	29 Å²	29	51.1 Å²	51.1	18%	0.176	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.8	-178.6	-177.2	0	0	0	0	108.6	L512 S513 G576 E577	L512-V573 CarbonylContact C-O 3.5Å; L512-V573 WeakPolarHBondContact CA-O 3.44Å; S513-V573 PolarHBondContact N-O 2.99Å; S513-V573 PolarHBondContact O-N 2.9Å; V573-G576 VanDerWaalsContact CG1-C 3.47Å; V573-E577 CarbonylContact C-O 3.48Å; V573-E577 WeakPolarHBondContact CA-O 3.45Å
574	L	85.8	Confident	78.8	Confident	2 Å²	2	53 Å²	53	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.6	175.4	-169.6	77.6	0	0	0	108.8	L512 G576 E577 I579 I586 F589 L590 V697	L512-L574 HydrophobicContact CB-CD1 3.89Å; L512-L574 HydrophobicContact CD1-CD1 3.75Å; L512-L574 HydrophobicContact CG-CD1 3.79Å; L574-G576 PolarHBondContact O-N 2.89Å; L574-G576 VanDerWaalsContact O-N 3.08Å; L574-E577 PolarHBondContact N-O 2.87Å; L574-E577 PolarHBondContact O-N 3.35Å; L574-I579 HydrophobicContact CB-CG1 4.37Å; L574-I586 HydrophobicContact CB-CG2 4.08Å; L574-I586 HydrophobicContact CD2-CB 4.38Å; L574-I586 HydrophobicContact CD2-CG2 3.55Å; L574-I586 HydrophobicContact CG-CG2 4.44Å; L574-F589 HydrophobicContact CD2-CB 4.49Å; L574-L590 HydrophobicContact CD2-CB 4.36Å; L574-V697 HydrophobicContact CD1-CB 4.21Å; L574-V697 HydrophobicContact CD1-CG1 4.5Å; L574-V697 HydrophobicContact CD1-CG2 3.86Å
575	L	83.5	Confident	78.9	Confident	59 Å²	59	56.3 Å²	56.3	31%	0.309	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	27.2	177.9	-58.3	163.4	0	0	0	114.2	D511 F589 K696	D511-L575 HydrophobicContact CB-CD2 4.45Å; D511-L575 PolarHBondContact O-N 3.28Å; D511-L575 VanDerWaalsContact OD1-CD2 3.31Å; D511-L575 WeakPolarHBondContact OD1-CD2 3.41Å; L575-F589 HydrophobicContact CD1-CB 3.97Å; L575-F589 HydrophobicContact CD1-CD2 4.18Å; L575-F589 HydrophobicContact CD1-CG 3.97Å; L575-K696 HydrophobicContact CD1-CD 3.64Å; L575-K696 HydrophobicContact CD2-CD 4.02Å
576	G	79.7	Confident	79	Confident	68 Å²	68	52.7 Å²	52.7	70%	0.701	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-3.7	-175.5	0	0	0	0	0	115.5	V573 L574	V573-G576 VanDerWaalsContact CG1-C 3.47Å; L574-G576 PolarHBondContact O-N 2.89Å; L574-G576 VanDerWaalsContact O-N 3.08Å
577	E	81.4	Confident	78.9	Confident	65 Å²	65	48.4 Å²	48.4	30%	0.304	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.1	175.8	-61.3	-175.1	174.3	0	0	111.2	V573 L574 I579 H585 I586	V573-E577 CarbonylContact C-O 3.48Å; V573-E577 WeakPolarHBondContact CA-O 3.45Å; L574-E577 PolarHBondContact N-O 2.87Å; L574-E577 PolarHBondContact O-N 3.35Å; E577-I579 PolarHBondContact O-N 2.98Å; E577-H585 IonicContact OE1-CE1 3.82Å; E577-H585 IonicContact OE1-ND1 3.07Å; E577-H585 IonicContact OE2-CE1 3.84Å; E577-H585 IonicContact OE2-CG 2.9Å; E577-H585 IonicContact OE2-ND1 3.97Å; E577-H585 PolarHBondContact OE2-ND1 2.93Å; E577-I586 HydrophobicContact CB-CD1 3.8Å; E577-I586 HydrophobicContact CB-CG1 4.16Å
578	S	80.1	Confident	78.5	Confident	22 Å²	22	48.6 Å²	48.6	15%	0.154	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.9	172.5	166.8	0	0	0	0	111.1	D571 V572 S580 S581 I586	D571-S578 VanDerWaalsContact CG-OG 3.23Å; D571-S578 PolarHBondContact OD1-OG 3.46Å; D571-S578 WeakPolarHBondContact OD2-CB 3.36Å; D571-S578 PolarHBondContact OD2-OG 3.19Å; V572-S578 WeakPolarHBondContact O-CA 3.38Å; S578-S580 PolarHBondContact O-N 2.88Å; S578-S580 VanDerWaalsContact O-N 3.15Å; S578-S580 PolarHBondContact OG-N 3.41Å; S578-S580 PolarHBondContact OG-OG 2.82Å; S578-S581 PolarHBondContact O-N 2.94Å; S578-S581 PolarHBondContact O-OG 2.96Å; S578-I586 VanDerWaalsContact O-CD1 3.23Å; S578-I586 WeakPolarHBondContact O-CD1 3.39Å
579	I	78.3	Confident	78.5	Confident	11 Å²	11	48.1 Å²	48.1	6%	0.056	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.1	176.9	-62.8	-167	0	0	0	111.3	M561 V572 L574 E577 S581 F583 I586	M561-I579 WeakPolarHBondContact O-CD1 3.43Å; V572-I579 HydrophobicContact CB-CD1 3.77Å; V572-I579 HydrophobicContact CB-CG1 4.07Å; V572-I579 HydrophobicContact CG1-CD1 3.46Å; V572-I579 VanDerWaalsContact CG1-CD1 3.46Å; V572-I579 HydrophobicContact CG1-CG1 4.07Å; V572-I579 WeakPolarHBondContact O-CG1 3.46Å; V572-I579 PolarHBondContact O-N 3.48Å; L574-I579 HydrophobicContact CB-CG1 4.37Å; E577-I579 PolarHBondContact O-N 2.98Å; I579-S581 VanDerWaalsContact C-N 3.32Å; I579-S581 PolarHBondContact O-N 3.3Å; I579-F583 HydrophobicContact CG2-CD2 3.83Å; I579-F583 HydrophobicContact CG2-CE2 4.21Å; I579-I586 HydrophobicContact CD1-CG2 4.5Å; I579-I586 HydrophobicContact CG1-CD1 4.48Å; I579-I586 HydrophobicContact CG1-CG2 3.98Å
580	S	73	Confident	78.6	Confident	98 Å²	98	45.1 Å²	45.1	69%	0.685	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-25	178.3	74.5	0	0	0	0	114.1	S578	S578-S580 PolarHBondContact O-N 2.88Å; S578-S580 VanDerWaalsContact O-N 3.15Å; S578-S580 PolarHBondContact OG-N 3.41Å; S578-S580 PolarHBondContact OG-OG 2.82Å
581	S	72.9	Confident	78.7	Confident	71 Å²	71	43.6 Å²	43.6	50%	0.497	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-48.2	-172.8	66.4	0	0	0	0	113.3	S578 I579	S578-S581 PolarHBondContact O-N 2.94Å; S578-S581 PolarHBondContact O-OG 2.96Å; I579-S581 VanDerWaalsContact C-N 3.32Å; I579-S581 PolarHBondContact O-N 3.3Å
582	N	70.3	Confident	78.8	Confident	88 Å²	88	41.9 Å²	41.9	47%	0.471	27%	0.265	S	S	.	.			trans	-130.8	46.4	-171	-84.1	-25.3	0	0	0	112.9	G584 H585 I586	N582-G584 VanDerWaalsContact C-N 3.28Å; N582-G584 PolarHBondContact O-N 2.74Å; N582-G584 VanDerWaalsContact O-N 3.08Å; N582-H585 HydrophobicContact CB-CB 4.47Å; N582-H585 PolarHBondContact O-N 2.75Å; N582-I586 HydrophobicContact CB-CD1 4.45Å; N582-I586 PolarHBondContact O-N 2.89Å
583	F	72.5	Confident	78.7	Confident	53 Å²	53	41.8 Å²	41.8	23%	0.232	26%	0.264	C	S	.	.	H	α-helix	trans	-44	-47.1	-176.1	-170.1	-119.2	0	0	0	114.2	I579 H585 I586 C587 G608	I579-F583 HydrophobicContact CG2-CD2 3.83Å; I579-F583 HydrophobicContact CG2-CE2 4.21Å; F583-H585 VanDerWaalsContact C-N 3.33Å; F583-H585 PolarHBondContact O-N 3.08Å; F583-I586 PolarHBondContact O-N 3.05Å; F583-C587 VanDerWaalsContact CD2-SG 3.6Å; F583-C587 WeakPolarHBondContact CE2-SG 3.41Å; F583-C587 WeakPolarHBondContact CZ-SG 3.41Å; F583-C587 WeakPolarHBondContact O-CB 3.48Å; F583-C587 PolarHBondContact O-N 3.37Å; F583-C587 PolarHBondContact O-SG 3.07Å; F583-G608 VanDerWaalsContact CD1-O 3.31Å; F583-G608 WeakPolarHBondContact CD1-O 3.32Å; F583-G608 WeakPolarHBondContact CE1-O 3.5Å
584	G	69.1	Low	78.4	Confident	63 Å²	63	41 Å²	41	65%	0.649	26%	0.259	S	S	*	.	H	α-helix	trans	-63.5	-29.8	-178.1	0	0	0	0	0	115.4	N582	N582-G584 VanDerWaalsContact C-N 3.28Å; N582-G584 PolarHBondContact O-N 2.74Å; N582-G584 VanDerWaalsContact O-N 3.08Å
585	H	72.9	Confident	78.1	Confident	95 Å²	95	44.1 Å²	44.1	44%	0.44	27%	0.271	S	S	.	.	H	α-helix	trans	-78.9	-48.8	175.2	-179.7	-126.1	0	0	0	110.5	E577 N582 F583 C587 S588 F589	E577-H585 IonicContact OE1-CE1 3.82Å; E577-H585 IonicContact OE1-ND1 3.07Å; E577-H585 IonicContact OE2-CE1 3.84Å; E577-H585 IonicContact OE2-CG 2.9Å; E577-H585 IonicContact OE2-ND1 3.97Å; E577-H585 PolarHBondContact OE2-ND1 2.93Å; N582-H585 HydrophobicContact CB-CB 4.47Å; N582-H585 PolarHBondContact O-N 2.75Å; F583-H585 VanDerWaalsContact C-N 3.33Å; F583-H585 PolarHBondContact O-N 3.08Å; H585-C587 VanDerWaalsContact C-N 3.33Å; H585-C587 PolarHBondContact O-N 3.11Å; H585-S588 WeakPolarHBondContact O-CB 3.28Å; H585-S588 PolarHBondContact O-N 2.92Å; H585-S588 VanDerWaalsContact O-N 3.07Å; H585-S588 PolarHBondContact O-OG 3.26Å; H585-F589 AromaticContact CD2-CE2 3.93Å; H585-F589 AromaticContact CE1-CE2 3.71Å; H585-F589 AromaticContact NE2-CE2 3.55Å; H585-F589 AromaticContact NE2-CZ 3.94Å
586	I	75.7	Confident	77.4	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-55.4	-44.3	179.8	-74.4	173.8	0	0	0	111.7	L574 E577 S578 I579 N582 F583 S588 F589 L590	L574-I586 HydrophobicContact CB-CG2 4.08Å; L574-I586 HydrophobicContact CD2-CB 4.38Å; L574-I586 HydrophobicContact CD2-CG2 3.55Å; L574-I586 HydrophobicContact CG-CG2 4.44Å; E577-I586 HydrophobicContact CB-CD1 3.8Å; E577-I586 HydrophobicContact CB-CG1 4.16Å; S578-I586 VanDerWaalsContact O-CD1 3.23Å; S578-I586 WeakPolarHBondContact O-CD1 3.39Å; I579-I586 HydrophobicContact CD1-CG2 4.5Å; I579-I586 HydrophobicContact CG1-CD1 4.48Å; I579-I586 HydrophobicContact CG1-CG2 3.98Å; N582-I586 HydrophobicContact CB-CD1 4.45Å; N582-I586 PolarHBondContact O-N 2.89Å; F583-I586 PolarHBondContact O-N 3.05Å; I586-S588 PolarHBondContact O-N 2.97Å; I586-F589 PolarHBondContact O-N 2.92Å; I586-F589 VanDerWaalsContact O-N 3.1Å; I586-L590 PolarHBondContact O-N 2.79Å
587	C	73.4	Confident	76.5	Confident	14 Å²	14	44 Å²	44	10%	0.095	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-16.9	179.4	-71.3	0	0	0	0	115.1	F583 H585 G608	F583-C587 VanDerWaalsContact CD2-SG 3.6Å; F583-C587 WeakPolarHBondContact CE2-SG 3.41Å; F583-C587 WeakPolarHBondContact CZ-SG 3.41Å; F583-C587 WeakPolarHBondContact O-CB 3.48Å; F583-C587 PolarHBondContact O-N 3.37Å; F583-C587 PolarHBondContact O-SG 3.07Å; H585-C587 VanDerWaalsContact C-N 3.33Å; H585-C587 PolarHBondContact O-N 3.11Å; C587-G608 WeakPolarHBondContact SG-CA 3.25Å
588	S	73.9	Confident	75.1	Confident	45 Å²	45	41.1 Å²	41.1	32%	0.315	24%	0.241	S	C	.	.	H	α-helix	trans	-67.9	-38.9	171.8	73.6	0	0	0	0	111.4	H585 I586 K646	H585-S588 WeakPolarHBondContact O-CB 3.28Å; H585-S588 PolarHBondContact O-N 2.92Å; H585-S588 VanDerWaalsContact O-N 3.07Å; H585-S588 PolarHBondContact O-OG 3.26Å; I586-S588 PolarHBondContact O-N 2.97Å; S588-K646 WeakPolarHBondContact O-CE 3.17Å; S588-K646 PolarHBondContact O-NZ 2.78Å
589	F	80.9	Confident	73.3	Confident	58 Å²	58	45 Å²	45	25%	0.254	26%	0.26	S	S	.	.	H	α-helix	trans	-82.3	-18.7	-178.9	-58.2	-68.3	0	0	0	114.1	L574 L575 H585 I586 T695 K696 V697	L574-F589 HydrophobicContact CD2-CB 4.49Å; L575-F589 HydrophobicContact CD1-CB 3.97Å; L575-F589 HydrophobicContact CD1-CD2 4.18Å; L575-F589 HydrophobicContact CD1-CG 3.97Å; H585-F589 AromaticContact CD2-CE2 3.93Å; H585-F589 AromaticContact CE1-CE2 3.71Å; H585-F589 AromaticContact NE2-CE2 3.55Å; H585-F589 AromaticContact NE2-CZ 3.94Å; I586-F589 PolarHBondContact O-N 2.92Å; I586-F589 VanDerWaalsContact O-N 3.1Å; F589-T695 CarbonylContact O-C 3.48Å; F589-T695 VanDerWaalsContact O-CA 3.28Å; F589-T695 WeakPolarHBondContact O-CA 3.08Å; F589-T695 WeakPolarHBondContact O-CB 3.16Å; F589-K696 HydrophobicContact CD1-CD 3.99Å; F589-K696 HydrophobicContact CD1-CG 4.34Å; F589-K696 HydrophobicContact CG-CD 4.49Å; F589-K696 PolarHBondContact O-N 3.21Å; F589-V697 PolarHBondContact O-N 3.36Å
590	L	84.6	Confident	71.6	Confident	14 Å²	14	44.7 Å²	44.7	7%	0.073	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	143	179.7	-167.2	69.7	0	0	0	112	C562 L574 I586 K646 T695 V697 V699	C562-L590 HydrophobicContact CB-CD2 3.87Å; L574-L590 HydrophobicContact CD2-CB 4.36Å; I586-L590 PolarHBondContact O-N 2.79Å; L590-K646 PolarHBondContact O-NZ 3Å; L590-T695 VanDerWaalsContact C-CG2 3.49Å; L590-T695 WeakPolarHBondContact O-CG2 3.13Å; L590-V697 CarbonylContact C-O 3.5Å; L590-V697 WeakPolarHBondContact CA-O 3.32Å; L590-V697 HydrophobicContact CD1-CB 3.99Å; L590-V697 HydrophobicContact CD1-CG1 3.98Å; L590-V699 HydrophobicContact CD1-CG2 4.08Å
591	G	85.5	Confident	69.9	Low	4 Å²	4	44.4 Å²	44.4	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.2	165.8	0	0	0	0	0	110.6	A690 V697 I698 V699	G591-A690 WeakPolarHBondContact CA-O 3.32Å; G591-V697 PolarHBondContact N-O 2.87Å; G591-I698 CarbonylContact O-C 3.59Å; G591-I698 WeakPolarHBondContact O-CA 3.08Å; G591-V699 PolarHBondContact O-N 3.03Å
592	Y	87.3	Confident	68.4	Low	14 Å²	14	45 Å²	45	6%	0.055	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.4	176.5	179.4	-113.7	0	0	0	111.8	C562 L564 P594 E605 V699	C562-Y592 HydrophobicContact CB-CD2 4.37Å; C562-Y592 HydrophobicContact CB-CG 4.46Å; C562-Y592 WeakPolarHBondContact SG-CD2 3.24Å; L564-Y592 HydrophobicContact CD1-CD1 3.98Å; L564-Y592 HydrophobicContact CD1-CE1 3.66Å; Y592-P594 HydrophobicContact CE1-CB 3.63Å; Y592-P594 HydrophobicContact CE1-CG 4.02Å; Y592-E605 HydrophobicContact CD1-CB 3.96Å; Y592-E605 VanDerWaalsContact CD1-O 3.3Å; Y592-E605 WeakPolarHBondContact CD1-O 3.42Å; Y592-E605 HydrophobicContact CE1-CB 3.88Å; Y592-E605 HydrophobicContact CE1-CG 4.37Å; Y592-V699 CarbonylContact C-O 3.54Å; Y592-V699 WeakPolarHBondContact CA-O 3.32Å; Y592-V699 HydrophobicContact CD2-CB 4.06Å; Y592-V699 HydrophobicContact CD2-CG1 3.89Å; Y592-V699 HydrophobicContact CE2-CG1 4.17Å
593	C	85.8	Confident	67	Low	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	100.7	174	177.5	0	0	0	0	109.6	R683 A690 V699 I700 D701	C593-R683 PolarHBondContact SG-NH1 3.01Å; C593-A690 HydrophobicContact CB-CB 4.18Å; C593-V699 PolarHBondContact N-O 3.22Å; C593-I700 HydrophobicContact CB-CB 4.43Å; C593-I700 HydrophobicContact CB-CG1 4.29Å; C593-I700 HydrophobicContact CB-CG2 4.09Å; C593-I700 CarbonylContact O-C 3.54Å; C593-I700 WeakPolarHBondContact O-CA 3.48Å; C593-D701 PolarHBondContact O-N 2.83Å
594	P	80.7	Confident	65.5	Low	12 Å²	12	41.8 Å²	41.8	8%	0.078	24%	0.235	C	C	.	.			trans	-66.6	169	177.6	27.4	-34.7	0	0	0	113	Y592 N596 Y606 R683	Y592-P594 HydrophobicContact CE1-CB 3.63Å; Y592-P594 HydrophobicContact CE1-CG 4.02Å; P594-N596 PolarHBondContact O-N 2.67Å; P594-Y606 WeakPolarHBondContact CD-OH 3.4Å; P594-Y606 HydrophobicContact CG-CE1 4.45Å; P594-Y606 HydrophobicContact CG-CE2 3.64Å; P594-Y606 VanDerWaalsContact CG-CZ 3.5Å; P594-Y606 WeakPolarHBondContact CG-OH 3.34Å; P594-R683 PolarHBondContact O-NH1 3.3Å
595	R	79.1	Confident	64.5	Low	68 Å²	68	40 Å²	40	26%	0.257	21%	0.21	S	C	.	.	S	Bend	trans	-57.9	-44	179.5	-180	176.8	-57.9	150.5	12.4	114.7	T555 R683 D701 E702 F705	T555-R595 PolarHBondContact OG1-NH2 3.35Å; R595-R683 PolarHBondContact O-NH1 3.18Å; R595-D701 WeakPolarHBondContact CA-O 3.33Å; R595-D701 WeakPolarHBondContact CB-OD2 3.22Å; R595-D701 IonicContact CZ-OD2 2.71Å; R595-D701 IonicContact NE-OD2 2.67Å; R595-D701 IonicContact NH2-OD1 2.64Å; R595-D701 IonicContact NH2-OD2 3.36Å; R595-D701 PolarHBondContact NH2-OD2 2.87Å; R595-E702 HydrophobicContact CG-CB 4.38Å; R595-F705 HydrophobicContact CG-CB 3.99Å; R595-F705 HydrophobicContact CG-CD1 3.44Å; R595-F705 VanDerWaalsContact CG-CD1 3.44Å; R595-F705 HydrophobicContact CG-CD2 4.03Å; R595-F705 HydrophobicContact CG-CE1 3.85Å; R595-F705 HydrophobicContact CG-CE2 4.4Å; R595-F705 HydrophobicContact CG-CG 3.54Å; R595-F705 HydrophobicContact CG-CZ 4.32Å
596	N	67.6	Low	63.1	Low	94 Å²	94	37.2 Å²	37.2	50%	0.503	20%	0.196	S	C	.	.	S	Bend	trans	-85.9	126.7	-178	-69.4	-14	0	0	0	109.4	P594 V598	P594-N596 PolarHBondContact O-N 2.67Å; N596-V598 PolarHBondContact O-N 3.27Å
597	N	61.4	Low	61.6	Low	32 Å²	32	37.8 Å²	37.8	17%	0.171	20%	0.2	C	C	.	.	S	Bend	trans	-48.1	129.1	168.3	-73.6	-16.3	0	0	0	109.8	L599 D679 K682 R683	N597-L599 VanDerWaalsContact C-N 3.27Å; N597-L599 WeakPolarHBondContact O-CG 3.48Å; N597-L599 PolarHBondContact O-N 3.12Å; N597-D679 PolarHBondContact ND2-O 3.39Å; N597-K682 HydrophobicContact CB-CB 4.18Å; N597-K682 WeakPolarHBondContact ND2-CB 3.44Å; N597-R683 WeakPolarHBondContact OD1-CA 2.99Å; N597-R683 WeakPolarHBondContact OD1-CD 3.21Å
598	V	52.7	Low	59.9	Low	4 Å²	4	37.7 Å²	37.7	2%	0.024	20%	0.201	C	C	.	.	S	Bend	trans	-28.8	75.4	-165.1	-160.9	0	0	0	0	116	N596 L600 Y606 Y630 F642 A686 I689	N596-V598 PolarHBondContact O-N 3.27Å; V598-L600 HydrophobicContact CG1-CD1 3.8Å; V598-L600 HydrophobicContact CG1-CG 3.77Å; V598-Y606 HydrophobicContact CG1-CE2 4.24Å; V598-Y606 HydrophobicContact CG2-CE1 4.46Å; V598-Y606 WeakPolarHBondContact CG2-OH 3.27Å; V598-Y630 HydrophobicContact CB-CD1 3.9Å; V598-Y630 HydrophobicContact CB-CD2 3.79Å; V598-Y630 HydrophobicContact CB-CE1 3.65Å; V598-Y630 HydrophobicContact CB-CE2 3.57Å; V598-Y630 HydrophobicContact CB-CG 3.96Å; V598-Y630 VanDerWaalsContact CB-CZ 3.49Å; V598-Y630 HydrophobicContact CG1-CD2 3.82Å; V598-Y630 HydrophobicContact CG1-CE2 3.96Å; V598-Y630 HydrophobicContact CG1-CG 4.15Å; V598-Y630 HydrophobicContact CG2-CD2 4.24Å; V598-Y630 HydrophobicContact CG2-CE1 4.02Å; V598-Y630 HydrophobicContact CG2-CE2 3.53Å; V598-Y630 WeakPolarHBondContact CG2-OH 3.33Å; V598-Y630 WeakPolarHBondContact O-CD1 3.38Å; V598-F642 HydrophobicContact CG1-CE2 4.47Å; V598-F642 HydrophobicContact CG1-CZ 3.97Å; V598-A686 HydrophobicContact CG2-CB 3.87Å; V598-I689 HydrophobicContact CG2-CD1 4.21Å
599	L	42.2	Very low	58	Low	104 Å²	104	40 Å²	40	55%	0.545	21%	0.209	S	C	.	.			trans	-92.9	98.3	162.8	-72.9	171.6	0	0	0	104.8	N597 N601 Q627	N597-L599 VanDerWaalsContact C-N 3.27Å; N597-L599 WeakPolarHBondContact O-CG 3.48Å; N597-L599 PolarHBondContact O-N 3.12Å; L599-N601 PolarHBondContact O-N 3.11Å; L599-Q627 HydrophobicContact CD2-CG 4.31Å
600	L	43.2	Very low	55.5	Low	3 Å²	3	40.9 Å²	40.9	2%	0.016	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-64.3	22.6	-168.3	-86.6	132.1	0	0	0	117	V598 N602 L603 A623 L626 Q627 Y630 F642	V598-L600 HydrophobicContact CG1-CD1 3.8Å; V598-L600 HydrophobicContact CG1-CG 3.77Å; L600-N602 PolarHBondContact O-N 3.27Å; L600-L603 HydrophobicContact CD2-CD2 3.41Å; L600-L603 VanDerWaalsContact CD2-CD2 3.41Å; L600-L603 HydrophobicContact CD2-CG 3.81Å; L600-A623 VanDerWaalsContact O-CA 3.28Å; L600-A623 WeakPolarHBondContact O-CA 3.46Å; L600-A623 WeakPolarHBondContact O-CB 3.34Å; L600-L626 HydrophobicContact CB-CB 4.25Å; L600-L626 HydrophobicContact CD1-CB 4.08Å; L600-L626 WeakPolarHBondContact CD1-O 2.95Å; L600-L626 HydrophobicContact CD2-CB 4.01Å; L600-L626 HydrophobicContact CG-CB 4.33Å; L600-Q627 HydrophobicContact CB-CB 4.1Å; L600-Y630 HydrophobicContact CD1-CG 4.46Å; L600-F642 HydrophobicContact CD1-CZ 4.07Å; L600-F642 HydrophobicContact CD2-CE1 4.09Å; L600-F642 HydrophobicContact CD2-CZ 3.98Å; L600-F642 HydrophobicContact CG-CZ 4.42Å
601	N	35.5	Very low	52.9	Low	93 Å²	93	43.8 Å²	43.8	50%	0.497	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-54.5	-26.4	175.8	-73.3	11	0	0	0	113.5	L599 A623 Q627	L599-N601 PolarHBondContact O-N 3.11Å; N601-A623 WeakPolarHBondContact O-CB 3.37Å; N601-Q627 VanDerWaalsContact OD1-CD 3.28Å; N601-Q627 PolarHBondContact OD1-NE2 3.17Å; N601-Q627 PolarHBondContact OD1-OE1 3.27Å
602	N	42.1	Very low	50.1	Low	82 Å²	82	48.7 Å²	48.7	44%	0.439	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-124.7	71.9	-178.9	-59.9	-0.5	0	0	0	111.5	L600 S604 E605	L600-N602 PolarHBondContact O-N 3.27Å; N602-S604 PolarHBondContact O-N 3.06Å; N602-S604 VanDerWaalsContact O-N 3.14Å; N602-E605 VanDerWaalsContact CB-CD 3.49Å; N602-E605 HydrophobicContact CB-CG 3.66Å; N602-E605 WeakPolarHBondContact CB-OE1 3.49Å; N602-E605 PolarHBondContact ND2-OE1 3.09Å; N602-E605 VanDerWaalsContact O-CB 3.31Å; N602-E605 WeakPolarHBondContact O-CB 3.37Å; N602-E605 WeakPolarHBondContact O-CG 3.48Å; N602-E605 PolarHBondContact O-N 2.95Å
603	L	41.7	Very low	47.3	Very low	30 Å²	30	49.1 Å²	49.1	16%	0.157	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.7	179.8	-96.8	162.2	0	0	0	116	L600 E605 F622 A623 L626	L600-L603 HydrophobicContact CD2-CD2 3.41Å; L600-L603 VanDerWaalsContact CD2-CD2 3.41Å; L600-L603 HydrophobicContact CD2-CG 3.81Å; L603-E605 PolarHBondContact O-N 3.46Å; L603-F622 HydrophobicContact CD1-CB 4.27Å; L603-F622 HydrophobicContact CD1-CD1 3.83Å; L603-F622 WeakPolarHBondContact CD1-O 3.38Å; L603-A623 HydrophobicContact CD1-CB 4.37Å; L603-L626 HydrophobicContact CD1-CB 4.34Å; L603-L626 HydrophobicContact CD1-CD1 3.72Å; L603-L626 HydrophobicContact CD1-CG 4.32Å; L603-L626 HydrophobicContact CD2-CD1 3.71Å; L603-L626 HydrophobicContact CG-CD1 4.29Å
604	S	41.3	Very low	45	Very low	44 Å²	44	52.9 Å²	52.9	31%	0.308	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-20.6	172.3	49.2	0	0	0	0	113	L564 N602	L564-S604 VanDerWaalsContact CD2-O 3.32Å; L564-S604 WeakPolarHBondContact CD2-O 3.42Å; N602-S604 PolarHBondContact O-N 3.06Å; N602-S604 VanDerWaalsContact O-N 3.14Å
605	E	46.1	Very low	42.9	Very low	27 Å²	27	55.2 Å²	55.2	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-78	-27.8	-172.4	-61.6	-170.1	-179.7	0	0	114.9	L564 Y592 N602 L603	L564-E605 HydrophobicContact CD1-CB 3.94Å; L564-E605 HydrophobicContact CD1-CG 3.67Å; L564-E605 HydrophobicContact CD2-CB 4.41Å; L564-E605 HydrophobicContact CD2-CG 4.45Å; L564-E605 HydrophobicContact CG-CG 4.49Å; Y592-E605 HydrophobicContact CD1-CB 3.96Å; Y592-E605 VanDerWaalsContact CD1-O 3.3Å; Y592-E605 WeakPolarHBondContact CD1-O 3.42Å; Y592-E605 HydrophobicContact CE1-CB 3.88Å; Y592-E605 HydrophobicContact CE1-CG 4.37Å; N602-E605 VanDerWaalsContact CB-CD 3.49Å; N602-E605 HydrophobicContact CB-CG 3.66Å; N602-E605 WeakPolarHBondContact CB-OE1 3.49Å; N602-E605 PolarHBondContact ND2-OE1 3.09Å; N602-E605 VanDerWaalsContact O-CB 3.31Å; N602-E605 WeakPolarHBondContact O-CB 3.37Å; N602-E605 WeakPolarHBondContact O-CG 3.48Å; N602-E605 PolarHBondContact O-N 2.95Å; L603-E605 PolarHBondContact O-N 3.46Å
606	Y	45.4	Very low	41	Very low	35 Å²	35	57.2 Å²	57.2	14%	0.137	33%	0.331	C	S	.	.	H	α-helix	trans	-105.8	-28.9	-168	-80.1	-87.6	0	0	0	115.4	P594 V598 I689	P594-Y606 WeakPolarHBondContact CD-OH 3.4Å; P594-Y606 HydrophobicContact CG-CE1 4.45Å; P594-Y606 HydrophobicContact CG-CE2 3.64Å; P594-Y606 VanDerWaalsContact CG-CZ 3.5Å; P594-Y606 WeakPolarHBondContact CG-OH 3.34Å; V598-Y606 HydrophobicContact CG1-CE2 4.24Å; V598-Y606 HydrophobicContact CG2-CE1 4.46Å; V598-Y606 WeakPolarHBondContact CG2-OH 3.27Å; Y606-I689 HydrophobicContact CD1-CG2 4.18Å; Y606-I689 HydrophobicContact CE1-CG2 4.47Å
607	T	43	Very low	39.4	Very low	17 Å²	17	60.4 Å²	60.4	10%	0.104	34%	0.34	C	S	.	.	H	α-helix	trans	-97	-23.4	-171.1	55.2	0	0	0	0	113.3	L609 L645	T607-L609 PolarHBondContact O-N 2.96Å; T607-L609 PolarHBondContact OG1-N 3.38Å; T607-L645 HydrophobicContact CG2-CB 4.04Å; T607-L645 HydrophobicContact CG2-CD1 4.15Å
608	G	38.1	Very low	38.2	Very low	11 Å²	11	62.6 Å²	62.6	11%	0.113	35%	0.351	C	S	.	.			trans	59.8	6.3	-165	0	0	0	0	0	113.9	F583 C587 S610	F583-G608 VanDerWaalsContact CD1-O 3.31Å; F583-G608 WeakPolarHBondContact CD1-O 3.32Å; F583-G608 WeakPolarHBondContact CE1-O 3.5Å; C587-G608 WeakPolarHBondContact SG-CA 3.25Å; G608-S610 PolarHBondContact O-N 3.42Å
609	L	34	Very low	37.3	Very low	93 Å²	93	68.1 Å²	68.1	49%	0.487	37%	0.372	S	S	.	.			trans	-79	114.5	162.8	-87.6	81.1	0	0	0	106.7	T607 V611	T607-L609 PolarHBondContact O-N 2.96Å; T607-L609 PolarHBondContact OG1-N 3.38Å; L609-V611 HydrophobicContact CB-CG2 4.1Å; L609-V611 PolarHBondContact O-N 2.71Å
610	S	28.5	Very low	36.9	Very low	78 Å²	78	65 Å²	65	55%	0.545	36%	0.359	S	S	.	.			trans	-55.1	81.6	136.4	171.8	0	0	0	0	108.1	G608 C612	G608-S610 PolarHBondContact O-N 3.42Å; S610-C612 PolarHBondContact O-N 3.26Å; S610-C612 VanDerWaalsContact O-N 3.07Å
611	V	29.5	Very low	36.4	Very low	74 Å²	74	69.9 Å²	69.9	45%	0.448	39%	0.385	S	S	.	.			trans	-58.6	114.1	154.1	177.8	0	0	0	0	104.1	L609 A613	L609-V611 HydrophobicContact CB-CG2 4.1Å; L609-V611 PolarHBondContact O-N 2.71Å; V611-A613 HydrophobicContact CG1-CB 4.32Å; V611-A613 PolarHBondContact O-N 3.44Å
612	C	27.4	Very low	36.2	Very low	107 Å²	107	71.6 Å²	71.6	72%	0.723	39%	0.388	S	S	*	.			trans	-70.9	53.1	176.6	-61.4	0	0	0	0	111	S610 T614	S610-C612 PolarHBondContact O-N 3.26Å; S610-C612 VanDerWaalsContact O-N 3.07Å; C612-T614 PolarHBondContact O-N 3.38Å
613	A	29.2	Very low	35.7	Very low	24 Å²	24	67.8 Å²	67.8	20%	0.198	37%	0.368	C	S	.	.			trans	-74.4	98.4	157.3	0	0	0	0	0	105.8	V611 D615 D618 R619	V611-A613 HydrophobicContact CG1-CB 4.32Å; V611-A613 PolarHBondContact O-N 3.44Å; A613-D615 PolarHBondContact O-N 2.93Å; A613-D618 HydrophobicContact CB-CB 4.01Å; A613-R619 HydrophobicContact CB-CG 4.23Å
614	T	37	Very low	35.4	Very low	79 Å²	79	69.9 Å²	69.9	49%	0.485	38%	0.376	S	S	.	.			trans	-66.2	-23.1	-173.3	37.1	0	0	0	0	113	L486 C612	L486-T614 HydrophobicContact CD1-CG2 4.26Å; L486-T614 VanDerWaalsContact CD1-O 3.27Å; L486-T614 WeakPolarHBondContact CD1-O 3.38Å; L486-T614 WeakPolarHBondContact CD2-O 3.47Å; C612-T614 PolarHBondContact O-N 3.38Å
615	D	36.1	Very low	35.3	Very low	60 Å²	60	71.5 Å²	71.5	32%	0.321	38%	0.384	S	S	.	.	S	Bend	trans	-107.3	140.7	-177.8	-77.8	-57.4	0	0	0	113.9	A613 K617 D618 R619	A613-D615 PolarHBondContact O-N 2.93Å; D615-K617 PolarHBondContact O-N 3.11Å; D615-D618 PolarHBondContact O-N 3.05Å; D615-R619 PolarHBondContact O-N 3Å
616	D	39.2	Very low	35.2	Very low	111 Å²	111	71 Å²	71	59%	0.594	38%	0.382	S	S	*	.	H	α-helix	trans	-58.7	-17.4	170.8	-85.4	-32.3	0	0	0	112.4	S620	D616-S620 PolarHBondContact O-OG 3.41Å
617	K	34.1	Very low	35.1	Very low	160 Å²	160	71.4 Å²	71.4	70%	0.696	39%	0.385	S	S	*	.	H	α-helix	trans	-77.7	-47.7	174	-73.4	-176	174.5	-178.5	0	112.9	D615 R619 S620 D621	D615-K617 PolarHBondContact O-N 3.11Å; K617-R619 PolarHBondContact O-N 2.9Å; K617-S620 PolarHBondContact O-N 3.12Å; K617-S620 PolarHBondContact O-OG 3.43Å; K617-D621 PolarHBondContact O-N 3.03Å
618	D	36.8	Very low	35.4	Very low	78 Å²	78	76.8 Å²	76.8	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-34.1	179.8	-66.4	-9.8	0	0	0	110.9	A613 D615 S620 D621 F622	A613-D618 HydrophobicContact CB-CB 4.01Å; D615-D618 PolarHBondContact O-N 3.05Å; D618-S620 PolarHBondContact O-N 2.68Å; D618-D621 PolarHBondContact O-N 3.14Å; D618-F622 WeakPolarHBondContact O-CB 3.39Å; D618-F622 PolarHBondContact O-N 3.09Å
619	R	33.6	Very low	36.4	Very low	120 Å²	120	80.6 Å²	80.6	45%	0.453	42%	0.421	S	S	.	.	H	α-helix	trans	-57.5	-44.8	170.9	-81.7	-176.9	168.6	-176.2	-6.5	112.6	A613 D615 K617 A623	A613-R619 HydrophobicContact CB-CG 4.23Å; D615-R619 PolarHBondContact O-N 3Å; K617-R619 PolarHBondContact O-N 2.9Å; R619-A623 WeakPolarHBondContact O-CB 3.4Å; R619-A623 PolarHBondContact O-N 3.22Å
620	S	33.5	Very low	37.8	Very low	38 Å²	38	76.8 Å²	76.8	27%	0.266	40%	0.4	S	S	.	.	H	α-helix	trans	-66.7	-37.3	177.9	37.5	0	0	0	0	113.2	D616 K617 D618 F624	D616-S620 PolarHBondContact O-OG 3.41Å; K617-S620 PolarHBondContact O-N 3.12Å; K617-S620 PolarHBondContact O-OG 3.43Å; D618-S620 PolarHBondContact O-N 2.68Å; S620-F624 VanDerWaalsContact O-CB 3.28Å; S620-F624 WeakPolarHBondContact O-CB 3.26Å; S620-F624 PolarHBondContact O-N 3.49Å
621	D	32.2	Very low	39.5	Very low	106 Å²	106	74.5 Å²	74.5	57%	0.567	39%	0.386	S	S	*	.	H	α-helix	trans	-72.8	-44.3	-179	-72.3	-16.8	0	0	0	111.7	K617 D618 A623 F624 V625	K617-D621 PolarHBondContact O-N 3.03Å; D618-D621 PolarHBondContact O-N 3.14Å; D621-A623 PolarHBondContact O-N 2.92Å; D621-F624 PolarHBondContact O-N 3.4Å; D621-V625 WeakPolarHBondContact O-CG2 3.46Å; D621-V625 PolarHBondContact O-N 2.85Å
622	F	32.1	Very low	41.6	Very low	129 Å²	129	75.5 Å²	75.5	57%	0.566	39%	0.388	S	S	*	.	H	α-helix	trans	-65.7	-39.4	177.1	-137.8	-90.7	0	0	0	111.8	L603 D618 L626	L603-F622 HydrophobicContact CD1-CB 4.27Å; L603-F622 HydrophobicContact CD1-CD1 3.83Å; L603-F622 WeakPolarHBondContact CD1-O 3.38Å; D618-F622 WeakPolarHBondContact O-CB 3.39Å; D618-F622 PolarHBondContact O-N 3.09Å; F622-L626 HydrophobicContact CD1-CD1 4.23Å; F622-L626 HydrophobicContact CE1-CD1 4.25Å; F622-L626 PolarHBondContact O-N 3.21Å
623	A	31.4	Very low	44.2	Very low	3 Å²	3	71.9 Å²	71.9	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-46.3	173.3	0	0	0	0	0	112.6	L600 N601 L603 R619 D621 L626 Q627	L600-A623 VanDerWaalsContact O-CA 3.28Å; L600-A623 WeakPolarHBondContact O-CA 3.46Å; L600-A623 WeakPolarHBondContact O-CB 3.34Å; N601-A623 WeakPolarHBondContact O-CB 3.37Å; L603-A623 HydrophobicContact CD1-CB 4.37Å; R619-A623 WeakPolarHBondContact O-CB 3.4Å; R619-A623 PolarHBondContact O-N 3.22Å; D621-A623 PolarHBondContact O-N 2.92Å; A623-L626 PolarHBondContact O-N 3.49Å; A623-Q627 WeakPolarHBondContact O-CB 3.5Å; A623-Q627 PolarHBondContact O-N 3.13Å
624	F	34.6	Very low	46.9	Very low	74 Å²	74	71.6 Å²	71.6	33%	0.325	36%	0.357	S	S	.	.	H	α-helix	trans	-68.8	-39.9	-178.9	-176.8	-100.7	0	0	0	112.9	P386 S620 D621 L626 Q627 K628	P386-F624 HydrophobicContact CB-CD1 3.94Å; P386-F624 HydrophobicContact CB-CE1 3.58Å; P386-F624 HydrophobicContact CB-CZ 3.97Å; P386-F624 HydrophobicContact CG-CD1 3.76Å; P386-F624 HydrophobicContact CG-CD2 3.95Å; P386-F624 HydrophobicContact CG-CE1 3.32Å; P386-F624 HydrophobicContact CG-CE2 3.53Å; P386-F624 HydrophobicContact CG-CG 4.06Å; P386-F624 HydrophobicContact CG-CZ 3.2Å; S620-F624 VanDerWaalsContact O-CB 3.28Å; S620-F624 WeakPolarHBondContact O-CB 3.26Å; S620-F624 PolarHBondContact O-N 3.49Å; D621-F624 PolarHBondContact O-N 3.4Å; F624-L626 VanDerWaalsContact C-N 3.34Å; F624-L626 PolarHBondContact O-N 2.93Å; F624-Q627 PolarHBondContact O-N 2.83Å; F624-K628 PolarHBondContact O-N 3.16Å
625	V	39	Very low	49.3	Very low	78 Å²	78	67.9 Å²	67.9	47%	0.473	33%	0.334	S	S	.	.	H	α-helix	trans	-55.7	-51.3	174.1	168.3	0	0	0	0	110	D621 Q627 K628 F629	D621-V625 WeakPolarHBondContact O-CG2 3.46Å; D621-V625 PolarHBondContact O-N 2.85Å; V625-Q627 VanDerWaalsContact C-N 3.34Å; V625-Q627 PolarHBondContact O-N 3.38Å; V625-K628 PolarHBondContact O-N 2.83Å; V625-F629 HydrophobicContact CG1-CD2 4.02Å; V625-F629 HydrophobicContact CG1-CE2 3.78Å; V625-F629 VanDerWaalsContact O-CD2 3.3Å; V625-F629 WeakPolarHBondContact O-CD2 3.48Å; V625-F629 PolarHBondContact O-N 3Å
626	L	45.1	Very low	51.9	Low	16 Å²	16	65.7 Å²	65.7	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-71.4	-26.5	-177.5	-65.6	-175.7	0	0	0	113.4	L600 L603 F622 A623 F624 K628 F629 Y630 F641	L600-L626 HydrophobicContact CB-CB 4.25Å; L600-L626 HydrophobicContact CD1-CB 4.08Å; L600-L626 WeakPolarHBondContact CD1-O 2.95Å; L600-L626 HydrophobicContact CD2-CB 4.01Å; L600-L626 HydrophobicContact CG-CB 4.33Å; L603-L626 HydrophobicContact CD1-CB 4.34Å; L603-L626 HydrophobicContact CD1-CD1 3.72Å; L603-L626 HydrophobicContact CD1-CG 4.32Å; L603-L626 HydrophobicContact CD2-CD1 3.71Å; L603-L626 HydrophobicContact CG-CD1 4.29Å; F622-L626 HydrophobicContact CD1-CD1 4.23Å; F622-L626 HydrophobicContact CE1-CD1 4.25Å; F622-L626 PolarHBondContact O-N 3.21Å; A623-L626 PolarHBondContact O-N 3.49Å; F624-L626 VanDerWaalsContact C-N 3.34Å; F624-L626 PolarHBondContact O-N 2.93Å; L626-K628 VanDerWaalsContact C-N 3.28Å; L626-K628 PolarHBondContact O-N 2.9Å; L626-F629 HydrophobicContact CD2-CB 4.35Å; L626-F629 HydrophobicContact CD2-CD2 3.89Å; L626-F629 HydrophobicContact CD2-CG 4.37Å; L626-F629 WeakPolarHBondContact O-CB 3.48Å; L626-F629 PolarHBondContact O-N 3.09Å; L626-Y630 PolarHBondContact O-N 3.23Å; L626-Y630 VanDerWaalsContact O-N 3.1Å; L626-F641 HydrophobicContact CD1-CE1 4.23Å; L626-F641 HydrophobicContact CD1-CZ 3.91Å; L626-F641 HydrophobicContact CD2-CE1 4.06Å; L626-F641 HydrophobicContact CD2-CE2 4.36Å; L626-F641 HydrophobicContact CD2-CZ 3.49Å; L626-F641 VanDerWaalsContact CD2-CZ 3.49Å; L626-F641 HydrophobicContact CG-CZ 4.36Å
627	Q	43.2	Very low	54.3	Low	44 Å²	44	64.9 Å²	64.9	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-59.5	-35.8	174	-177.2	176.7	58.4	0	0	113.2	L599 L600 N601 A623 F624 V625	L599-Q627 HydrophobicContact CD2-CG 4.31Å; L600-Q627 HydrophobicContact CB-CB 4.1Å; N601-Q627 VanDerWaalsContact OD1-CD 3.28Å; N601-Q627 PolarHBondContact OD1-NE2 3.17Å; N601-Q627 PolarHBondContact OD1-OE1 3.27Å; A623-Q627 WeakPolarHBondContact O-CB 3.5Å; A623-Q627 PolarHBondContact O-N 3.13Å; F624-Q627 PolarHBondContact O-N 2.83Å; V625-Q627 VanDerWaalsContact C-N 3.34Å; V625-Q627 PolarHBondContact O-N 3.38Å
628	K	48.8	Very low	56.9	Low	130 Å²	130	57.3 Å²	57.3	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-72.3	-37	171.1	-90.5	-172.1	170.7	-174.9	0	112.6	F624 V625 L626 Y630 A631 I632	F624-K628 PolarHBondContact O-N 3.16Å; V625-K628 PolarHBondContact O-N 2.83Å; L626-K628 VanDerWaalsContact C-N 3.28Å; L626-K628 PolarHBondContact O-N 2.9Å; K628-Y630 VanDerWaalsContact C-N 3.34Å; K628-Y630 PolarHBondContact O-N 3.23Å; K628-A631 PolarHBondContact O-N 3.12Å; K628-I632 WeakPolarHBondContact O-CG1 3.35Å; K628-I632 PolarHBondContact O-N 3.35Å
629	F	58.6	Low	59.4	Low	90 Å²	90	53.6 Å²	53.6	40%	0.395	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-41.2	178.2	-83.7	-75.5	0	0	0	112.6	V625 L626 A631 I632 L633	V625-F629 HydrophobicContact CG1-CD2 4.02Å; V625-F629 HydrophobicContact CG1-CE2 3.78Å; V625-F629 VanDerWaalsContact O-CD2 3.3Å; V625-F629 WeakPolarHBondContact O-CD2 3.48Å; V625-F629 PolarHBondContact O-N 3Å; L626-F629 HydrophobicContact CD2-CB 4.35Å; L626-F629 HydrophobicContact CD2-CD2 3.89Å; L626-F629 HydrophobicContact CD2-CG 4.37Å; L626-F629 WeakPolarHBondContact O-CB 3.48Å; L626-F629 PolarHBondContact O-N 3.09Å; F629-A631 VanDerWaalsContact C-N 3.27Å; F629-A631 PolarHBondContact O-N 3.01Å; F629-I632 HydrophobicContact CD1-CD1 3.98Å; F629-I632 HydrophobicContact CD1-CG1 4.4Å; F629-I632 HydrophobicContact CE1-CD1 4.27Å; F629-I632 WeakPolarHBondContact O-CG1 3.46Å; F629-I632 PolarHBondContact O-N 3.03Å; F629-L633 HydrophobicContact CB-CD1 4.2Å; F629-L633 HydrophobicContact CD1-CD1 4.49Å; F629-L633 WeakPolarHBondContact O-CB 3.44Å; F629-L633 WeakPolarHBondContact O-CG 3.44Å; F629-L633 PolarHBondContact O-N 3.3Å; F629-L633 VanDerWaalsContact O-N 3.08Å
630	Y	64.4	Low	62.1	Low	14 Å²	14	51.2 Å²	51.2	6%	0.055	26%	0.261	C	S	.	.	H	α-helix	trans	-55.2	-40.6	-178.5	-171.2	-107	0	0	0	113.9	V598 L600 L626 K628 N638 F642 V674 L685 I689	V598-Y630 HydrophobicContact CB-CD1 3.9Å; V598-Y630 HydrophobicContact CB-CD2 3.79Å; V598-Y630 HydrophobicContact CB-CE1 3.65Å; V598-Y630 HydrophobicContact CB-CE2 3.57Å; V598-Y630 HydrophobicContact CB-CG 3.96Å; V598-Y630 VanDerWaalsContact CB-CZ 3.49Å; V598-Y630 HydrophobicContact CG1-CD2 3.82Å; V598-Y630 HydrophobicContact CG1-CE2 3.96Å; V598-Y630 HydrophobicContact CG1-CG 4.15Å; V598-Y630 HydrophobicContact CG2-CD2 4.24Å; V598-Y630 HydrophobicContact CG2-CE1 4.02Å; V598-Y630 HydrophobicContact CG2-CE2 3.53Å; V598-Y630 WeakPolarHBondContact CG2-OH 3.33Å; V598-Y630 WeakPolarHBondContact O-CD1 3.38Å; L600-Y630 HydrophobicContact CD1-CG 4.46Å; L626-Y630 PolarHBondContact O-N 3.23Å; L626-Y630 VanDerWaalsContact O-N 3.1Å; K628-Y630 VanDerWaalsContact C-N 3.34Å; K628-Y630 PolarHBondContact O-N 3.23Å; Y630-N638 WeakPolarHBondContact CD2-OD1 3.5Å; Y630-N638 HydrophobicContact CE2-CB 4.42Å; Y630-N638 PolarHBondContact O-ND2 3.49Å; Y630-F642 AromaticContact CD2-CE2 3.98Å; Y630-F642 HydrophobicContact CD2-CE2 3.98Å; Y630-F642 HydrophobicContact CE2-CE2 4.22Å; Y630-V674 HydrophobicContact CD1-CG1 4.01Å; Y630-V674 HydrophobicContact CE1-CG1 3.53Å; Y630-V674 WeakPolarHBondContact O-CB 3.3Å; Y630-L685 HydrophobicContact CE2-CD2 4.18Å; Y630-L685 HydrophobicContact CE2-CG 4.48Å; Y630-L685 WeakPolarHBondContact OH-CD2 3.3Å; Y630-L685 WeakPolarHBondContact OH-CG 3.47Å; Y630-I689 HydrophobicContact CE2-CD1 3.79Å
631	A	63.6	Low	64.7	Low	30 Å²	30	52.2 Å²	52.2	25%	0.248	26%	0.26	C	S	.	.	H	α-helix	trans	-75.3	-39.8	-177.3	0	0	0	0	0	113.3	K628 F629 E675	K628-A631 PolarHBondContact O-N 3.12Å; F629-A631 VanDerWaalsContact C-N 3.27Å; F629-A631 PolarHBondContact O-N 3.01Å; A631-E675 HydrophobicContact CB-CB 4.16Å; A631-E675 WeakPolarHBondContact O-CB 3.27Å; A631-E675 PolarHBondContact O-N 3.2Å
632	I	73.1	Confident	67.1	Low	94 Å²	94	47.6 Å²	47.6	48%	0.482	24%	0.235	S	C	.	.	H	α-helix	trans	-84.3	-8.9	-176.7	68.7	-178.9	0	0	0	114	K628 F629 L673	K628-I632 WeakPolarHBondContact O-CG1 3.35Å; K628-I632 PolarHBondContact O-N 3.35Å; F629-I632 HydrophobicContact CD1-CD1 3.98Å; F629-I632 HydrophobicContact CD1-CG1 4.4Å; F629-I632 HydrophobicContact CE1-CD1 4.27Å; F629-I632 WeakPolarHBondContact O-CG1 3.46Å; F629-I632 PolarHBondContact O-N 3.03Å; I632-L673 VanDerWaalsContact O-CD2 3.25Å; I632-L673 WeakPolarHBondContact O-CD2 3.11Å
633	L	81.8	Confident	69.6	Low	31 Å²	31	41.5 Å²	41.5	16%	0.162	21%	0.208	C	C	.	.	S	Bend	trans	-91	149.1	173.9	-68.1	174	0	0	0	110.5	F629 E637 N638 F641 V674	F629-L633 HydrophobicContact CB-CD1 4.2Å; F629-L633 HydrophobicContact CD1-CD1 4.49Å; F629-L633 WeakPolarHBondContact O-CB 3.44Å; F629-L633 WeakPolarHBondContact O-CG 3.44Å; F629-L633 PolarHBondContact O-N 3.3Å; F629-L633 VanDerWaalsContact O-N 3.08Å; L633-E637 HydrophobicContact CB-CB 4.06Å; L633-E637 HydrophobicContact CD2-CB 4.01Å; L633-E637 HydrophobicContact CG-CB 4.48Å; L633-N638 WeakPolarHBondContact CB-ND2 3.36Å; L633-N638 PolarHBondContact O-ND2 3.36Å; L633-F641 HydrophobicContact CD1-CB 4.47Å; L633-V674 WeakPolarHBondContact O-CG2 3.3Å; L633-V674 PolarHBondContact O-N 3.47Å
634	T	87.1	Confident	72.1	Confident	19 Å²	19	44.5 Å²	44.5	12%	0.117	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-70.5	166.8	170.6	60.3	0	0	0	0	111.9	A636 E637 N638 H671 V672 L673	T634-A636 VanDerWaalsContact C-N 3.29Å; T634-A636 PolarHBondContact O-N 3.42Å; T634-E637 VanDerWaalsContact CB-OE2 3.31Å; T634-E637 WeakPolarHBondContact CB-OE2 3.41Å; T634-E637 VanDerWaalsContact CG2-OE2 3.32Å; T634-E637 WeakPolarHBondContact CG2-OE2 3.21Å; T634-E637 PolarHBondContact N-OE2 3.49Å; T634-E637 PolarHBondContact O-N 2.99Å; T634-E637 WeakPolarHBondContact OG1-CB 3.48Å; T634-E637 VanDerWaalsContact OG1-CG 3.24Å; T634-E637 WeakPolarHBondContact OG1-CG 3.34Å; T634-E637 PolarHBondContact OG1-N 3.49Å; T634-E637 PolarHBondContact OG1-OE2 3.12Å; T634-N638 WeakPolarHBondContact O-CB 3.43Å; T634-N638 PolarHBondContact O-N 3.27Å; T634-N638 PolarHBondContact O-ND2 3.27Å; T634-H671 WeakPolarHBondContact CG2-O 3.43Å; T634-V672 VanDerWaalsContact CA-O 3.32Å; T634-V672 WeakPolarHBondContact CA-O 3.47Å; T634-L673 HydrophobicContact CG2-CD2 3.96Å
635	V	87.4	Confident	74.3	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-53.8	-44.2	174.5	179.1	0	0	0	0	111.6	L639 L661 L666 M669 V672 V674 L685	V635-L639 WeakPolarHBondContact O-CG 3.49Å; V635-L639 PolarHBondContact O-N 3.45Å; V635-L661 HydrophobicContact CG1-CD2 3.86Å; V635-L666 HydrophobicContact CG1-CB 4.42Å; V635-L666 HydrophobicContact CG1-CD1 4.15Å; V635-M669 VanDerWaalsContact CG2-O 3.23Å; V635-M669 WeakPolarHBondContact CG2-O 3.41Å; V635-V672 PolarHBondContact N-O 3.17Å; V635-V674 HydrophobicContact CG2-CG2 4.27Å; V635-L685 HydrophobicContact CG1-CD1 4Å; V635-L685 HydrophobicContact CG1-CD2 4.4Å; V635-L685 HydrophobicContact CG2-CD2 4.43Å
636	A	90.4	Very high	76	Confident	14 Å²	14	42.4 Å²	42.4	12%	0.116	22%	0.216	C	C	.	.	H	α-helix	trans	-69.8	-39.8	177.2	0	0	0	0	0	114.1	T634 N638 L639 N640 R670	T634-A636 VanDerWaalsContact C-N 3.29Å; T634-A636 PolarHBondContact O-N 3.42Å; A636-N638 VanDerWaalsContact C-N 3.34Å; A636-L639 PolarHBondContact O-N 3.06Å; A636-N640 WeakPolarHBondContact O-CB 3.5Å; A636-N640 PolarHBondContact O-N 3.16Å; A636-R670 HydrophobicContact CB-CG 3.54Å; A636-R670 PolarHBondContact N-O 3.24Å
637	E	90.2	Very high	77.5	Confident	94 Å²	94	44.5 Å²	44.5	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-67.9	-36.7	179.8	-71.7	161.2	148.6	0	0	111.4	L633 T634 N640 F641	L633-E637 HydrophobicContact CB-CB 4.06Å; L633-E637 HydrophobicContact CD2-CB 4.01Å; L633-E637 HydrophobicContact CG-CB 4.48Å; T634-E637 VanDerWaalsContact CB-OE2 3.31Å; T634-E637 WeakPolarHBondContact CB-OE2 3.41Å; T634-E637 VanDerWaalsContact CG2-OE2 3.32Å; T634-E637 WeakPolarHBondContact CG2-OE2 3.21Å; T634-E637 PolarHBondContact N-OE2 3.49Å; T634-E637 PolarHBondContact O-N 2.99Å; T634-E637 WeakPolarHBondContact OG1-CB 3.48Å; T634-E637 VanDerWaalsContact OG1-CG 3.24Å; T634-E637 WeakPolarHBondContact OG1-CG 3.34Å; T634-E637 PolarHBondContact OG1-N 3.49Å; T634-E637 PolarHBondContact OG1-OE2 3.12Å; E637-N640 PolarHBondContact O-N 3.21Å; E637-F641 WeakPolarHBondContact O-CB 3.48Å; E637-F641 PolarHBondContact O-N 3.41Å
638	N	88.3	Confident	79.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-50.2	171.2	-85.6	-65.7	0	0	0	111.8	Y630 L633 T634 A636 N640 F641 F642 V674 L685	Y630-N638 WeakPolarHBondContact CD2-OD1 3.5Å; Y630-N638 HydrophobicContact CE2-CB 4.42Å; Y630-N638 PolarHBondContact O-ND2 3.49Å; L633-N638 WeakPolarHBondContact CB-ND2 3.36Å; L633-N638 PolarHBondContact O-ND2 3.36Å; T634-N638 WeakPolarHBondContact O-CB 3.43Å; T634-N638 PolarHBondContact O-N 3.27Å; T634-N638 PolarHBondContact O-ND2 3.27Å; A636-N638 VanDerWaalsContact C-N 3.34Å; N638-N640 VanDerWaalsContact C-N 3.32Å; N638-N640 PolarHBondContact O-N 3.3Å; N638-F641 PolarHBondContact O-N 2.69Å; N638-F642 VanDerWaalsContact O-CD2 3.27Å; N638-F642 WeakPolarHBondContact O-CD2 3.48Å; N638-F642 PolarHBondContact O-N 3.1Å; N638-V674 VanDerWaalsContact ND2-CG2 3.32Å; N638-V674 WeakPolarHBondContact ND2-CG2 3.34Å; N638-L685 HydrophobicContact CB-CD2 4.23Å
639	L	89.2	Confident	81.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-39.5	176.8	-66.8	171	0	0	0	112.2	V635 A636 G643 I657 V660 L661 L685 A688 I689 L692	V635-L639 WeakPolarHBondContact O-CG 3.49Å; V635-L639 PolarHBondContact O-N 3.45Å; A636-L639 PolarHBondContact O-N 3.06Å; L639-G643 PolarHBondContact O-N 2.72Å; L639-I657 HydrophobicContact CB-CD1 4.48Å; L639-I657 HydrophobicContact CB-CG1 4.02Å; L639-I657 HydrophobicContact CB-CG2 4.32Å; L639-I657 HydrophobicContact CD1-CG2 4.21Å; L639-V660 HydrophobicContact CD1-CG1 4.39Å; L639-V660 HydrophobicContact CD2-CG1 4.14Å; L639-L661 HydrophobicContact CD1-CD1 4.45Å; L639-L661 HydrophobicContact CD1-CD2 3.61Å; L639-L661 HydrophobicContact CD1-CG 3.72Å; L639-L685 HydrophobicContact CD1-CD1 4.42Å; L639-L685 HydrophobicContact CD2-CD1 3.83Å; L639-L685 HydrophobicContact CG-CD1 3.84Å; L639-A688 HydrophobicContact CD2-CB 4Å; L639-I689 HydrophobicContact CD2-CG1 3.86Å; L639-L692 HydrophobicContact CB-CD1 4.41Å; L639-L692 HydrophobicContact CD2-CD1 3.98Å; L639-L692 HydrophobicContact CD2-CD2 4.39Å; L639-L692 HydrophobicContact CD2-CG 4.35Å; L639-L692 WeakPolarHBondContact O-CD1 3.37Å
640	N	90.1	Very high	82.5	Confident	71 Å²	71	40.4 Å²	40.4	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-66.4	-38.1	175.6	-172.2	81	0	0	0	112.6	A636 E637 N638 S644 I657	A636-N640 WeakPolarHBondContact O-CB 3.5Å; A636-N640 PolarHBondContact O-N 3.16Å; E637-N640 PolarHBondContact O-N 3.21Å; N638-N640 VanDerWaalsContact C-N 3.32Å; N638-N640 PolarHBondContact O-N 3.3Å; N640-S644 VanDerWaalsContact O-CB 3.3Å; N640-S644 WeakPolarHBondContact O-CB 3.3Å; N640-S644 PolarHBondContact O-N 2.94Å; N640-S644 PolarHBondContact O-OG 3.45Å; N640-I657 HydrophobicContact CB-CD1 3.88Å
641	F	87.3	Confident	83.7	Confident	59 Å²	59	44.3 Å²	44.3	26%	0.259	27%	0.267	S	S	.	.	H	α-helix	trans	-65.8	-54.7	177.3	177.8	-103.9	0	0	0	111.3	L626 L633 E637 N638 G643 S644 L645	L626-F641 HydrophobicContact CD1-CE1 4.23Å; L626-F641 HydrophobicContact CD1-CZ 3.91Å; L626-F641 HydrophobicContact CD2-CE1 4.06Å; L626-F641 HydrophobicContact CD2-CE2 4.36Å; L626-F641 HydrophobicContact CD2-CZ 3.49Å; L626-F641 VanDerWaalsContact CD2-CZ 3.49Å; L626-F641 HydrophobicContact CG-CZ 4.36Å; L633-F641 HydrophobicContact CD1-CB 4.47Å; E637-F641 WeakPolarHBondContact O-CB 3.48Å; E637-F641 PolarHBondContact O-N 3.41Å; N638-F641 PolarHBondContact O-N 2.69Å; F641-G643 PolarHBondContact O-N 3.14Å; F641-S644 WeakPolarHBondContact O-CB 3.5Å; F641-S644 PolarHBondContact O-N 3.45Å; F641-L645 HydrophobicContact CD1-CD1 4.03Å; F641-L645 HydrophobicContact CE1-CD1 3.4Å; F641-L645 HydrophobicContact CE1-CG 4.23Å; F641-L645 HydrophobicContact CE2-CD1 4.41Å; F641-L645 HydrophobicContact CE2-CG 4.48Å; F641-L645 HydrophobicContact CZ-CD1 3.62Å; F641-L645 HydrophobicContact CZ-CD2 4.43Å; F641-L645 HydrophobicContact CZ-CG 4.13Å; F641-L645 PolarHBondContact O-N 2.8Å
642	F	83.2	Confident	84.9	Confident	9 Å²	9	48.2 Å²	48.2	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-37.2	179.6	-76.5	-72.8	0	0	0	113.1	V598 L600 Y630 N638 S644 L645 K646 I689 L692	V598-F642 HydrophobicContact CG1-CE2 4.47Å; V598-F642 HydrophobicContact CG1-CZ 3.97Å; L600-F642 HydrophobicContact CD1-CZ 4.07Å; L600-F642 HydrophobicContact CD2-CE1 4.09Å; L600-F642 HydrophobicContact CD2-CZ 3.98Å; L600-F642 HydrophobicContact CG-CZ 4.42Å; Y630-F642 AromaticContact CD2-CE2 3.98Å; Y630-F642 HydrophobicContact CD2-CE2 3.98Å; Y630-F642 HydrophobicContact CE2-CE2 4.22Å; N638-F642 VanDerWaalsContact O-CD2 3.27Å; N638-F642 WeakPolarHBondContact O-CD2 3.48Å; N638-F642 PolarHBondContact O-N 3.1Å; F642-S644 VanDerWaalsContact C-N 3.32Å; F642-S644 PolarHBondContact O-N 3.4Å; F642-L645 HydrophobicContact CD1-CD1 4.24Å; F642-L645 PolarHBondContact O-N 3.27Å; F642-K646 WeakPolarHBondContact O-CB 3.07Å; F642-K646 PolarHBondContact O-N 3.16Å; F642-I689 HydrophobicContact CB-CG1 4.47Å; F642-I689 HydrophobicContact CB-CG2 3.74Å; F642-I689 HydrophobicContact CD1-CG2 4.09Å; F642-I689 HydrophobicContact CD2-CD1 3.54Å; F642-I689 HydrophobicContact CD2-CG1 3.87Å; F642-I689 HydrophobicContact CD2-CG2 3.96Å; F642-I689 HydrophobicContact CE2-CD1 3.71Å; F642-I689 HydrophobicContact CG-CD1 4.38Å; F642-I689 HydrophobicContact CG-CG1 4.35Å; F642-I689 HydrophobicContact CG-CG2 3.66Å; F642-L692 HydrophobicContact CB-CD1 4.2Å
643	G	84.9	Confident	85.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-32.5	175.1	0	0	0	0	0	113.3	L639 F641 K646 G647 I648	L639-G643 PolarHBondContact O-N 2.72Å; F641-G643 PolarHBondContact O-N 3.14Å; G643-K646 PolarHBondContact O-N 2.54Å; G643-G647 PolarHBondContact O-N 3.48Å; G643-I648 WeakPolarHBondContact O-CB 3.44Å; G643-I648 WeakPolarHBondContact O-CG1 3.46Å; G643-I648 PolarHBondContact O-N 2.87Å
644	S	84.8	Confident	86.1	Confident	67 Å²	67	50.9 Å²	50.9	47%	0.469	28%	0.282	S	S	.	.	H	α-helix	trans	-69	-40.7	170.7	-57.9	0	0	0	0	111.7	N640 F641 F642 K646 G647	N640-S644 VanDerWaalsContact O-CB 3.3Å; N640-S644 WeakPolarHBondContact O-CB 3.3Å; N640-S644 PolarHBondContact O-N 2.94Å; N640-S644 PolarHBondContact O-OG 3.45Å; F641-S644 WeakPolarHBondContact O-CB 3.5Å; F641-S644 PolarHBondContact O-N 3.45Å; F642-S644 VanDerWaalsContact C-N 3.32Å; F642-S644 PolarHBondContact O-N 3.4Å; S644-K646 VanDerWaalsContact C-N 3.27Å; S644-K646 PolarHBondContact O-N 3.07Å; S644-G647 PolarHBondContact O-N 3.06Å
645	L	79.9	Confident	86.3	Confident	62 Å²	62	57.7 Å²	57.7	33%	0.325	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-32.4	174	-73.8	179.5	0	0	0	113	T607 F641 F642 G647	T607-L645 HydrophobicContact CG2-CB 4.04Å; T607-L645 HydrophobicContact CG2-CD1 4.15Å; F641-L645 HydrophobicContact CD1-CD1 4.03Å; F641-L645 HydrophobicContact CE1-CD1 3.4Å; F641-L645 HydrophobicContact CE1-CG 4.23Å; F641-L645 HydrophobicContact CE2-CD1 4.41Å; F641-L645 HydrophobicContact CE2-CG 4.48Å; F641-L645 HydrophobicContact CZ-CD1 3.62Å; F641-L645 HydrophobicContact CZ-CD2 4.43Å; F641-L645 HydrophobicContact CZ-CG 4.13Å; F641-L645 PolarHBondContact O-N 2.8Å; F642-L645 HydrophobicContact CD1-CD1 4.24Å; F642-L645 PolarHBondContact O-N 3.27Å; L645-G647 PolarHBondContact O-N 3.33Å
646	K	73.9	Confident	86.5	Confident	45 Å²	45	58.6 Å²	58.6	20%	0.196	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-2.9	174.5	-168.6	161.6	-179.6	177	0	113.3	S588 L590 F642 G643 S644 I648 L692	S588-K646 WeakPolarHBondContact O-CE 3.17Å; S588-K646 PolarHBondContact O-NZ 2.78Å; L590-K646 PolarHBondContact O-NZ 3Å; F642-K646 WeakPolarHBondContact O-CB 3.07Å; F642-K646 PolarHBondContact O-N 3.16Å; G643-K646 PolarHBondContact O-N 2.54Å; S644-K646 VanDerWaalsContact C-N 3.27Å; S644-K646 PolarHBondContact O-N 3.07Å; K646-I648 HydrophobicContact CB-CD1 4.31Å; K646-I648 HydrophobicContact CB-CG1 4.26Å; K646-I648 HydrophobicContact CG-CG1 4.39Å; K646-L692 WeakPolarHBondContact CD-O 3.38Å; K646-L692 WeakPolarHBondContact CE-O 3.24Å; K646-L692 PolarHBondContact NZ-O 3.04Å
647	G	77.5	Confident	86.5	Confident	61 Å²	61	58.2 Å²	58.2	63%	0.629	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	15.6	177.1	0	0	0	0	0	114.8	G643 S644 L645	G643-G647 PolarHBondContact O-N 3.48Å; S644-G647 PolarHBondContact O-N 3.06Å; L645-G647 PolarHBondContact O-N 3.33Å
648	I	82.3	Confident	86.6	Confident	23 Å²	23	56.7 Å²	56.7	12%	0.118	30%	0.302	C	S	.	.			trans	-70.4	129.6	-178.5	-54	165.3	0	0	0	109.4	G643 K646 S650 E652 L653 L692	G643-I648 WeakPolarHBondContact O-CB 3.44Å; G643-I648 WeakPolarHBondContact O-CG1 3.46Å; G643-I648 PolarHBondContact O-N 2.87Å; K646-I648 HydrophobicContact CB-CD1 4.31Å; K646-I648 HydrophobicContact CB-CG1 4.26Å; K646-I648 HydrophobicContact CG-CG1 4.39Å; I648-S650 PolarHBondContact O-N 2.84Å; I648-E652 HydrophobicContact CG2-CB 4.2Å; I648-L653 HydrophobicContact CB-CB 4.26Å; I648-L653 HydrophobicContact CB-CD1 4.5Å; I648-L653 HydrophobicContact CD1-CD1 4.16Å; I648-L653 HydrophobicContact CG2-CB 3.86Å; I648-L692 HydrophobicContact CD1-CB 4.09Å
649	P	87	Confident	86.7	Confident	70 Å²	70	62.3 Å²	62.3	46%	0.455	33%	0.328	S	S	.	.			trans	-54.9	133.1	176	-26.1	34.8	0	0	0	111.8	V651 E652 L653	P649-V651 PolarHBondContact O-N 3.32Å; P649-E652 HydrophobicContact CB-CG 4.43Å; P649-E652 PolarHBondContact O-N 3Å; P649-L653 WeakPolarHBondContact O-CB 3.39Å; P649-L653 PolarHBondContact O-N 2.97Å
650	S	87.2	Confident	86.8	Confident	85 Å²	85	62.3 Å²	62.3	59%	0.594	33%	0.328	S	S	*	.	H	α-helix	trans	-57.6	-25.4	-171.4	61.6	0	0	0	0	114.9	I648 R654	I648-S650 PolarHBondContact O-N 2.84Å; S650-R654 WeakPolarHBondContact O-CG 3.4Å; S650-R654 PolarHBondContact O-N 3.45Å
651	V	88.6	Confident	87	Confident	96 Å²	96	59 Å²	59	58%	0.582	31%	0.31	S	S	*	.	H	α-helix	trans	-71.9	-40.8	175	-179	0	0	0	0	111.8	P649	P649-V651 PolarHBondContact O-N 3.32Å
652	E	88.8	Confident	87.2	Confident	112 Å²	112	63.4 Å²	63.4	52%	0.523	33%	0.329	S	S	.	.	H	α-helix	trans	-77.2	-43.2	178.8	-64.8	178.9	175.4	0	0	110.5	I648 P649 R654 R655 D656	I648-E652 HydrophobicContact CG2-CB 4.2Å; P649-E652 HydrophobicContact CB-CG 4.43Å; P649-E652 PolarHBondContact O-N 3Å; E652-R654 VanDerWaalsContact C-N 3.26Å; E652-R654 PolarHBondContact O-N 3.34Å; E652-R655 WeakPolarHBondContact O-CA 3.3Å; E652-R655 WeakPolarHBondContact O-CB 3.44Å; E652-R655 PolarHBondContact O-N 3.03Å; E652-D656 PolarHBondContact O-N 2.95Å
653	L	89.9	Confident	87.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-52.4	-41.9	177.3	178	56.2	0	0	0	112.3	I648 P649 R655 D656 I657 L692	I648-L653 HydrophobicContact CB-CB 4.26Å; I648-L653 HydrophobicContact CB-CD1 4.5Å; I648-L653 HydrophobicContact CD1-CD1 4.16Å; I648-L653 HydrophobicContact CG2-CB 3.86Å; P649-L653 WeakPolarHBondContact O-CB 3.39Å; P649-L653 PolarHBondContact O-N 2.97Å; L653-R655 VanDerWaalsContact C-N 3.28Å; L653-R655 PolarHBondContact O-N 2.99Å; L653-D656 PolarHBondContact O-N 3.3Å; L653-I657 HydrophobicContact CD1-CD1 3.74Å; L653-I657 HydrophobicContact CD1-CG1 3.81Å; L653-I657 HydrophobicContact CG-CD1 3.72Å; L653-I657 HydrophobicContact CG-CG1 4.28Å; L653-I657 WeakPolarHBondContact O-CB 3.48Å; L653-I657 WeakPolarHBondContact O-CD1 3.05Å; L653-I657 WeakPolarHBondContact O-CG1 3.45Å; L653-I657 PolarHBondContact O-N 2.82Å; L653-L692 HydrophobicContact CD1-CD2 4.46Å
654	R	90.3	Very high	87.8	Confident	180 Å²	180	65.3 Å²	65.3	68%	0.679	34%	0.339	S	S	*	.	H	α-helix	trans	-63.3	-30.9	176.6	-75.7	178	-178.5	-167.2	2.4	113.6	S650 E652 N658	S650-R654 WeakPolarHBondContact O-CG 3.4Å; S650-R654 PolarHBondContact O-N 3.45Å; E652-R654 VanDerWaalsContact C-N 3.26Å; E652-R654 PolarHBondContact O-N 3.34Å; R654-N658 VanDerWaalsContact O-CG 3.31Å; R654-N658 PolarHBondContact O-ND2 3.3Å
655	R	91.3	Very high	88	Confident	162 Å²	162	67.8 Å²	67.8	61%	0.611	35%	0.347	S	S	*	.	H	α-helix	trans	-75.6	-50.1	175.2	-62.4	177.8	179.6	150.6	-0.5	109.7	E652 L653 I657 N658 E659	E652-R655 WeakPolarHBondContact O-CA 3.3Å; E652-R655 WeakPolarHBondContact O-CB 3.44Å; E652-R655 PolarHBondContact O-N 3.03Å; L653-R655 VanDerWaalsContact C-N 3.28Å; L653-R655 PolarHBondContact O-N 2.99Å; R655-I657 PolarHBondContact O-N 3.42Å; R655-N658 WeakPolarHBondContact O-CB 3.25Å; R655-N658 PolarHBondContact O-N 3.09Å; R655-E659 PolarHBondContact O-N 3.34Å
656	D	90.7	Very high	88.5	Confident	20 Å²	20	64.9 Å²	64.9	11%	0.107	33%	0.332	C	S	.	.	H	α-helix	trans	-57	-46.2	179.8	-167.9	34.9	0	0	0	111.9	E652 L653 N658 E659 V660 L692 G693	E652-D656 PolarHBondContact O-N 2.95Å; L653-D656 PolarHBondContact O-N 3.3Å; D656-N658 VanDerWaalsContact C-N 3.29Å; D656-N658 PolarHBondContact O-N 2.94Å; D656-E659 PolarHBondContact O-N 2.8Å; D656-E659 VanDerWaalsContact O-N 3.08Å; D656-V660 WeakPolarHBondContact O-CB 3.46Å; D656-V660 WeakPolarHBondContact O-CG2 3.47Å; D656-V660 PolarHBondContact O-N 3.26Å; D656-L692 WeakPolarHBondContact OD2-CA 3.16Å; D656-G693 PolarHBondContact OD2-N 2.71Å
657	I	92	Very high	89.3	Confident	5 Å²	5	66 Å²	66	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-55	-42.9	173.1	-70	166.7	0	0	0	111.9	L639 N640 L653 R655 E659 L661 L692	L639-I657 HydrophobicContact CB-CD1 4.48Å; L639-I657 HydrophobicContact CB-CG1 4.02Å; L639-I657 HydrophobicContact CB-CG2 4.32Å; L639-I657 HydrophobicContact CD1-CG2 4.21Å; N640-I657 HydrophobicContact CB-CD1 3.88Å; L653-I657 HydrophobicContact CD1-CD1 3.74Å; L653-I657 HydrophobicContact CD1-CG1 3.81Å; L653-I657 HydrophobicContact CG-CD1 3.72Å; L653-I657 HydrophobicContact CG-CG1 4.28Å; L653-I657 WeakPolarHBondContact O-CB 3.48Å; L653-I657 WeakPolarHBondContact O-CD1 3.05Å; L653-I657 WeakPolarHBondContact O-CG1 3.45Å; L653-I657 PolarHBondContact O-N 2.82Å; R655-I657 PolarHBondContact O-N 3.42Å; I657-E659 VanDerWaalsContact C-N 3.34Å; I657-L661 HydrophobicContact CG2-CD1 3.78Å; I657-L661 HydrophobicContact CG2-CG 4.3Å; I657-L661 VanDerWaalsContact O-CB 3.29Å; I657-L661 WeakPolarHBondContact O-CB 3.43Å; I657-L661 WeakPolarHBondContact O-CG 3.14Å; I657-L661 PolarHBondContact O-N 2.86Å; I657-L692 HydrophobicContact CG1-CD2 4.28Å
658	N	92	Very high	89.8	Confident	63 Å²	63	72.2 Å²	72.2	34%	0.337	36%	0.357	S	S	.	.	H	α-helix	trans	-73.2	-26.2	-178.9	-70.9	-29.6	0	0	0	112.5	R654 R655 D656 K662 R670	R654-N658 VanDerWaalsContact O-CG 3.31Å; R654-N658 PolarHBondContact O-ND2 3.3Å; R655-N658 WeakPolarHBondContact O-CB 3.25Å; R655-N658 PolarHBondContact O-N 3.09Å; D656-N658 VanDerWaalsContact C-N 3.29Å; D656-N658 PolarHBondContact O-N 2.94Å; N658-K662 WeakPolarHBondContact O-CD 3.36Å; N658-K662 VanDerWaalsContact O-CG 3.27Å; N658-K662 WeakPolarHBondContact O-CG 3.46Å; N658-R670 PolarHBondContact OD1-NH1 2.88Å; N658-R670 PolarHBondContact OD1-NH2 3.02Å
659	E	90.8	Very high	89.9	Confident	118 Å²	118	74.2 Å²	74.2	55%	0.551	37%	0.367	S	S	*	.	H	α-helix	trans	-77.4	-46.8	172.2	-68.9	-176.1	-164.8	0	0	111	R655 D656 I657 L661 K662 I663	R655-E659 PolarHBondContact O-N 3.34Å; D656-E659 PolarHBondContact O-N 2.8Å; D656-E659 VanDerWaalsContact O-N 3.08Å; I657-E659 VanDerWaalsContact C-N 3.34Å; E659-L661 PolarHBondContact O-N 3.31Å; E659-K662 WeakPolarHBondContact O-CB 3.12Å; E659-K662 PolarHBondContact O-N 3.14Å; E659-K662 VanDerWaalsContact O-N 3.08Å; E659-I663 WeakPolarHBondContact O-CG1 3.49Å; E659-I663 PolarHBondContact O-N 3.42Å
660	V	91	Very high	90	Very high	1 Å²	1	74.6 Å²	74.6	1%	0.006	36%	0.359	C	S	.	.	H	α-helix	trans	-60.2	-42	176.7	166.8	0	0	0	0	112	L639 D656 K662 I663 A664 A688 L691 L692	L639-V660 HydrophobicContact CD1-CG1 4.39Å; L639-V660 HydrophobicContact CD2-CG1 4.14Å; D656-V660 WeakPolarHBondContact O-CB 3.46Å; D656-V660 WeakPolarHBondContact O-CG2 3.47Å; D656-V660 PolarHBondContact O-N 3.26Å; V660-K662 VanDerWaalsContact C-N 3.27Å; V660-K662 PolarHBondContact O-N 2.96Å; V660-I663 PolarHBondContact O-N 3.12Å; V660-A664 VanDerWaalsContact O-CB 3.31Å; V660-A664 WeakPolarHBondContact O-CB 3.33Å; V660-A664 PolarHBondContact O-N 3.5Å; V660-A688 HydrophobicContact CG1-CB 3.57Å; V660-A688 VanDerWaalsContact CG1-O 3.32Å; V660-A688 WeakPolarHBondContact CG1-O 3.48Å; V660-L691 HydrophobicContact CG1-CB 4.41Å; V660-L691 HydrophobicContact CG2-CB 3.82Å; V660-L692 HydrophobicContact CG2-CD2 4.21Å
661	L	92.7	Very high	90.1	Very high	1 Å²	1	77.6 Å²	77.6	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-30.6	174.8	-77.6	171.1	0	0	0	113.2	V635 L639 I657 E659 D665 L666 C667 R670	V635-L661 HydrophobicContact CG1-CD2 3.86Å; L639-L661 HydrophobicContact CD1-CD1 4.45Å; L639-L661 HydrophobicContact CD1-CD2 3.61Å; L639-L661 HydrophobicContact CD1-CG 3.72Å; I657-L661 HydrophobicContact CG2-CD1 3.78Å; I657-L661 HydrophobicContact CG2-CG 4.3Å; I657-L661 VanDerWaalsContact O-CB 3.29Å; I657-L661 WeakPolarHBondContact O-CB 3.43Å; I657-L661 WeakPolarHBondContact O-CG 3.14Å; I657-L661 PolarHBondContact O-N 2.86Å; E659-L661 PolarHBondContact O-N 3.31Å; L661-D665 PolarHBondContact O-N 3.43Å; L661-L666 HydrophobicContact CD2-CB 3.94Å; L661-L666 PolarHBondContact O-N 2.64Å; L661-C667 PolarHBondContact O-SG 3.18Å; L661-R670 HydrophobicContact CD1-CG 4Å
662	K	92.2	Very high	89.9	Confident	151 Å²	151	75.6 Å²	75.6	66%	0.657	35%	0.351	S	S	*	.	H	α-helix	trans	-74.8	-43.9	174.2	-70.1	169	-176.6	-179.9	0	111.3	N658 E659 V660 A664 D665	N658-K662 WeakPolarHBondContact O-CD 3.36Å; N658-K662 VanDerWaalsContact O-CG 3.27Å; N658-K662 WeakPolarHBondContact O-CG 3.46Å; E659-K662 WeakPolarHBondContact O-CB 3.12Å; E659-K662 PolarHBondContact O-N 3.14Å; E659-K662 VanDerWaalsContact O-N 3.08Å; V660-K662 VanDerWaalsContact C-N 3.27Å; V660-K662 PolarHBondContact O-N 2.96Å; K662-A664 VanDerWaalsContact C-N 3.31Å; K662-A664 PolarHBondContact O-N 3.45Å; K662-D665 PolarHBondContact O-N 3.28Å
663	I	90.3	Very high	89.8	Confident	49 Å²	49	73.6 Å²	73.6	25%	0.251	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-39.9	177	-65.8	165.1	0	0	0	111	E659 V660 D665 L691 I722	E659-I663 WeakPolarHBondContact O-CG1 3.49Å; E659-I663 PolarHBondContact O-N 3.42Å; V660-I663 PolarHBondContact O-N 3.12Å; I663-D665 VanDerWaalsContact C-N 3.27Å; I663-D665 PolarHBondContact O-N 2.79Å; I663-L691 HydrophobicContact CB-CD1 4.43Å; I663-L691 HydrophobicContact CG2-CD1 3.85Å; I663-I722 HydrophobicContact CG2-CG1 3.86Å
664	A	89.8	Confident	89.4	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.008	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.2	178.3	0	0	0	0	0	113.7	V660 K662 L666 K684 A688 M718	V660-A664 VanDerWaalsContact O-CB 3.31Å; V660-A664 WeakPolarHBondContact O-CB 3.33Å; V660-A664 PolarHBondContact O-N 3.5Å; K662-A664 VanDerWaalsContact C-N 3.31Å; K662-A664 PolarHBondContact O-N 3.45Å; A664-L666 HydrophobicContact CB-CB 4.22Å; A664-L666 HydrophobicContact CB-CD1 3.85Å; A664-L666 HydrophobicContact CB-CG 3.8Å; A664-K684 VanDerWaalsContact O-CD 3.28Å; A664-K684 WeakPolarHBondContact O-CD 3.31Å; A664-K684 VanDerWaalsContact O-CE 3.24Å; A664-K684 WeakPolarHBondContact O-CE 3.42Å; A664-K684 PolarHBondContact O-NZ 3.09Å; A664-A688 HydrophobicContact CB-CB 4.09Å; A664-M718 HydrophobicContact CB-CE 3.55Å; A664-M718 HydrophobicContact CB-SD 4.1Å
665	D	90.9	Very high	88.6	Confident	118 Å²	118	71 Å²	71	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	59	-169.8	174	51	0	0	0	110.4	L661 K662 I663 K684	L661-D665 PolarHBondContact O-N 3.43Å; K662-D665 PolarHBondContact O-N 3.28Å; I663-D665 VanDerWaalsContact C-N 3.27Å; I663-D665 PolarHBondContact O-N 2.79Å; D665-K684 PolarHBondContact O-NZ 2.84Å; D665-K684 VanDerWaalsContact O-NZ 3.08Å; D665-K684 IonicContact OD2-NZ 3.64Å; D665-K684 PolarHBondContact OD2-NZ 3.49Å; D665-K684 VanDerWaalsContact OD2-NZ 3.1Å
666	L	90.3	Very high	87.9	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	34%	0.343	C	S	.	.			trans	-129.2	11	-178.6	-70	-176.4	0	0	0	112.7	V635 L661 A664 E668 M669 R670 V681 K684 L685	V635-L666 HydrophobicContact CG1-CB 4.42Å; V635-L666 HydrophobicContact CG1-CD1 4.15Å; L661-L666 HydrophobicContact CD2-CB 3.94Å; L661-L666 PolarHBondContact O-N 2.64Å; A664-L666 HydrophobicContact CB-CB 4.22Å; A664-L666 HydrophobicContact CB-CD1 3.85Å; A664-L666 HydrophobicContact CB-CG 3.8Å; L666-E668 VanDerWaalsContact C-N 3.31Å; L666-E668 PolarHBondContact O-N 2.59Å; L666-M669 HydrophobicContact CD2-CE 3.78Å; L666-M669 PolarHBondContact O-N 3.43Å; L666-R670 PolarHBondContact O-N 2.96Å; L666-V681 HydrophobicContact CD2-CG1 3.89Å; L666-V681 HydrophobicContact CD2-CG2 4.47Å; L666-K684 HydrophobicContact CD1-CB 3.9Å; L666-K684 HydrophobicContact CD2-CB 4.24Å; L666-K684 HydrophobicContact CD2-CD 3.93Å; L666-K684 HydrophobicContact CG-CB 4.23Å; L666-K684 HydrophobicContact CG-CD 4.33Å; L666-L685 HydrophobicContact CD1-CB 4.28Å
667	C	89.6	Confident	87.3	Confident	67 Å²	67	68.9 Å²	68.9	45%	0.453	34%	0.341	S	S	.	.	S	Bend	trans	-58.4	-38.5	-177.1	-70.1	0	0	0	0	113.4	L661 R670	L661-C667 PolarHBondContact O-SG 3.18Å; C667-R670 VanDerWaalsContact O-CB 3.3Å; C667-R670 WeakPolarHBondContact O-CB 3.47Å
668	E	87.7	Confident	86.9	Confident	192 Å²	192	71.7 Å²	71.7	90%	0.897	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-71.2	-36.1	178.9	-58.7	-173	161.7	0	0	112.3	L666 R670	L666-E668 VanDerWaalsContact C-N 3.31Å; L666-E668 PolarHBondContact O-N 2.59Å; E668-R670 VanDerWaalsContact C-N 3.26Å; E668-R670 PolarHBondContact O-N 2.88Å
669	M	85.4	Confident	86.3	Confident	65 Å²	65	73 Å²	73	32%	0.32	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-86.7	10	-179.8	-70.8	-176.1	-77.7	0	0	113.7	V635 L666 H671 V672 V681	V635-M669 VanDerWaalsContact CG2-O 3.23Å; V635-M669 WeakPolarHBondContact CG2-O 3.41Å; L666-M669 HydrophobicContact CD2-CE 3.78Å; L666-M669 PolarHBondContact O-N 3.43Å; M669-H671 PolarHBondContact O-N 3.4Å; M669-V672 HydrophobicContact CB-CB 4.3Å; M669-V672 HydrophobicContact CB-CG2 4.08Å; M669-V672 HydrophobicContact CG-CG2 4.13Å; M669-V672 WeakPolarHBondContact O-CB 3.3Å; M669-V672 PolarHBondContact O-N 2.99Å; M669-V681 HydrophobicContact CE-CG1 4.29Å; M669-V681 HydrophobicContact CE-CG2 3.48Å; M669-V681 VanDerWaalsContact CE-CG2 3.48Å; M669-V681 HydrophobicContact SD-CG1 4.22Å; M669-V681 HydrophobicContact SD-CG2 3.71Å
670	R	88.3	Confident	86.1	Confident	78 Å²	78	68.5 Å²	68.5	29%	0.294	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-47.7	-39.6	-178.9	-173.2	-175.9	-172.8	130.6	12.6	114	A636 N658 L661 L666 C667 E668	A636-R670 HydrophobicContact CB-CG 3.54Å; A636-R670 PolarHBondContact N-O 3.24Å; N658-R670 PolarHBondContact OD1-NH1 2.88Å; N658-R670 PolarHBondContact OD1-NH2 3.02Å; L661-R670 HydrophobicContact CD1-CG 4Å; L666-R670 PolarHBondContact O-N 2.96Å; C667-R670 VanDerWaalsContact O-CB 3.3Å; C667-R670 WeakPolarHBondContact O-CB 3.47Å; E668-R670 VanDerWaalsContact C-N 3.26Å; E668-R670 PolarHBondContact O-N 2.88Å
671	H	88.6	Confident	85.9	Confident	149 Å²	149	68.8 Å²	68.8	69%	0.69	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-100.9	4.3	-175.6	-58.7	-72	0	0	0	113.6	T634 M669	T634-H671 WeakPolarHBondContact CG2-O 3.43Å; M669-H671 PolarHBondContact O-N 3.4Å
672	V	86	Confident	85.5	Confident	53 Å²	53	70.9 Å²	70.9	32%	0.321	36%	0.359	S	S	.	.	S	Bend	trans	-80.4	135	177.1	178.8	0	0	0	0	109.1	T634 V635 M669	T634-V672 VanDerWaalsContact CA-O 3.32Å; T634-V672 WeakPolarHBondContact CA-O 3.47Å; V635-V672 PolarHBondContact N-O 3.17Å; M669-V672 HydrophobicContact CB-CB 4.3Å; M669-V672 HydrophobicContact CB-CG2 4.08Å; M669-V672 HydrophobicContact CG-CG2 4.13Å; M669-V672 WeakPolarHBondContact O-CB 3.3Å; M669-V672 PolarHBondContact O-N 2.99Å
673	L	85.1	Confident	85.3	Confident	71 Å²	71	63.7 Å²	63.7	37%	0.372	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-66.7	133.4	172	-68.1	174.9	0	0	0	110.3	I632 T634 E675 N676	I632-L673 VanDerWaalsContact O-CD2 3.25Å; I632-L673 WeakPolarHBondContact O-CD2 3.11Å; T634-L673 HydrophobicContact CG2-CD2 3.96Å; L673-E675 VanDerWaalsContact C-N 3.26Å; L673-E675 PolarHBondContact O-N 3.04Å; L673-N676 PolarHBondContact O-N 2.7Å; L673-N676 VanDerWaalsContact O-N 3.12Å
674	V	81.9	Confident	85.3	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.012	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-65.5	-30.3	-173.5	177.1	0	0	0	0	112.1	Y630 L633 V635 N638 N676 S677 K682 L685	Y630-V674 HydrophobicContact CD1-CG1 4.01Å; Y630-V674 HydrophobicContact CE1-CG1 3.53Å; Y630-V674 WeakPolarHBondContact O-CB 3.3Å; L633-V674 WeakPolarHBondContact O-CG2 3.3Å; L633-V674 PolarHBondContact O-N 3.47Å; V635-V674 HydrophobicContact CG2-CG2 4.27Å; N638-V674 VanDerWaalsContact ND2-CG2 3.32Å; N638-V674 WeakPolarHBondContact ND2-CG2 3.34Å; V674-N676 VanDerWaalsContact C-N 3.28Å; V674-N676 PolarHBondContact O-N 2.84Å; V674-S677 WeakPolarHBondContact O-CB 3.42Å; V674-S677 PolarHBondContact O-N 3.48Å; V674-S677 VanDerWaalsContact O-N 3.09Å; V674-S677 PolarHBondContact O-OG 2.9Å; V674-K682 HydrophobicContact CG1-CG 3.95Å; V674-K682 WeakPolarHBondContact O-CE 3.17Å; V674-L685 HydrophobicContact CG1-CD2 4.3Å; V674-L685 HydrophobicContact CG2-CD2 3.44Å; V674-L685 VanDerWaalsContact CG2-CD2 3.44Å
675	E	74.5	Confident	85.3	Confident	122 Å²	122	62.1 Å²	62.1	57%	0.57	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-50.1	-47.9	171.6	-171.9	165.9	-165.1	0	0	112.6	A631 L673 S677 K682	A631-E675 HydrophobicContact CB-CB 4.16Å; A631-E675 WeakPolarHBondContact O-CB 3.27Å; A631-E675 PolarHBondContact O-N 3.2Å; L673-E675 VanDerWaalsContact C-N 3.26Å; L673-E675 PolarHBondContact O-N 3.04Å; E675-S677 VanDerWaalsContact C-N 3.27Å; E675-S677 PolarHBondContact O-N 3.16Å; E675-K682 PolarHBondContact O-NZ 3.24Å
676	N	76.4	Confident	85.1	Confident	127 Å²	127	56.5 Å²	56.5	68%	0.679	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-80.5	-0.5	-177.4	-65.9	-25.4	0	0	0	114.1	L673 V674	L673-N676 PolarHBondContact O-N 2.7Å; L673-N676 VanDerWaalsContact O-N 3.12Å; V674-N676 VanDerWaalsContact C-N 3.28Å; V674-N676 PolarHBondContact O-N 2.84Å
677	S	78.3	Confident	85.1	Confident	11 Å²	11	56.4 Å²	56.4	8%	0.077	29%	0.288	C	S	.	.	S	Bend	trans	-88.9	150.8	-179.2	73	0	0	0	0	112.6	V674 E675 K682	V674-S677 WeakPolarHBondContact O-CB 3.42Å; V674-S677 PolarHBondContact O-N 3.48Å; V674-S677 VanDerWaalsContact O-N 3.09Å; V674-S677 PolarHBondContact O-OG 2.9Å; E675-S677 VanDerWaalsContact C-N 3.27Å; E675-S677 PolarHBondContact O-N 3.16Å; S677-K682 WeakPolarHBondContact O-CE 3.45Å; S677-K682 PolarHBondContact O-NZ 3.32Å; S677-K682 WeakPolarHBondContact OG-CG 3.41Å
678	S	84.3	Confident	85.1	Confident	65 Å²	65	53.2 Å²	53.2	46%	0.455	27%	0.267	S	S	.	.			trans	-71.3	158.3	176.1	58.8	0	0	0	0	111.9	I680 V681 K682	S678-I680 PolarHBondContact O-N 3.29Å; S678-I680 VanDerWaalsContact OG-CG2 3.29Å; S678-I680 WeakPolarHBondContact OG-CG2 3.23Å; S678-V681 WeakPolarHBondContact O-CA 3.41Å; S678-V681 WeakPolarHBondContact O-CB 3.29Å; S678-V681 PolarHBondContact O-N 2.9Å; S678-V681 WeakPolarHBondContact OG-CG2 3.33Å; S678-K682 PolarHBondContact O-N 2.95Å
679	D	78.9	Confident	85.1	Confident	90 Å²	90	44.6 Å²	44.6	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-25.5	-173.3	-63	-45.4	0	0	0	113.9	N597 K682 R683	N597-D679 PolarHBondContact ND2-O 3.39Å; D679-K682 PolarHBondContact O-N 3.48Å; D679-K682 IonicContact OD1-NZ 3.97Å; D679-R683 WeakPolarHBondContact O-CB 3.31Å; D679-R683 PolarHBondContact O-N 3.09Å
680	I	85.8	Confident	85.2	Confident	24 Å²	24	41.8 Å²	41.8	12%	0.123	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-37.7	169.2	179.4	59.9	0	0	0	112.1	S678 R683 K684 V707 L711 A714 V715	S678-I680 PolarHBondContact O-N 3.29Å; S678-I680 VanDerWaalsContact OG-CG2 3.29Å; S678-I680 WeakPolarHBondContact OG-CG2 3.23Å; I680-R683 PolarHBondContact O-N 3.38Å; I680-K684 WeakPolarHBondContact O-CB 3.49Å; I680-K684 WeakPolarHBondContact O-CG 3.42Å; I680-K684 PolarHBondContact O-N 3.3Å; I680-V707 HydrophobicContact CD1-CG1 3.88Å; I680-V707 HydrophobicContact CD1-CG2 4.16Å; I680-L711 HydrophobicContact CG2-CD1 4.27Å; I680-A714 HydrophobicContact CD1-CB 4.31Å; I680-V715 HydrophobicContact CD1-CG2 3.42Å; I680-V715 VanDerWaalsContact CD1-CG2 3.42Å
681	V	87.4	Confident	85.2	Confident	7 Å²	7	38 Å²	38	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-71.5	-41.9	176.4	175.2	0	0	0	0	110.4	L666 M669 S678 R683 K684 L685	L666-V681 HydrophobicContact CD2-CG1 3.89Å; L666-V681 HydrophobicContact CD2-CG2 4.47Å; M669-V681 HydrophobicContact CE-CG1 4.29Å; M669-V681 HydrophobicContact CE-CG2 3.48Å; M669-V681 VanDerWaalsContact CE-CG2 3.48Å; M669-V681 HydrophobicContact SD-CG1 4.22Å; M669-V681 HydrophobicContact SD-CG2 3.71Å; S678-V681 WeakPolarHBondContact O-CA 3.41Å; S678-V681 WeakPolarHBondContact O-CB 3.29Å; S678-V681 PolarHBondContact O-N 2.9Å; S678-V681 WeakPolarHBondContact OG-CG2 3.33Å; V681-R683 VanDerWaalsContact C-N 3.25Å; V681-R683 PolarHBondContact O-N 2.98Å; V681-K684 PolarHBondContact O-N 2.61Å; V681-L685 WeakPolarHBondContact O-CB 3.45Å; V681-L685 PolarHBondContact O-N 2.98Å
682	K	84.8	Confident	85.1	Confident	44 Å²	44	31 Å²	31	19%	0.191	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-37.8	172	-67.7	168.6	175.4	146.7	0	111.6	N597 V674 E675 S677 S678 D679 A686	N597-K682 HydrophobicContact CB-CB 4.18Å; N597-K682 WeakPolarHBondContact ND2-CB 3.44Å; V674-K682 HydrophobicContact CG1-CG 3.95Å; V674-K682 WeakPolarHBondContact O-CE 3.17Å; E675-K682 PolarHBondContact O-NZ 3.24Å; S677-K682 WeakPolarHBondContact O-CE 3.45Å; S677-K682 PolarHBondContact O-NZ 3.32Å; S677-K682 WeakPolarHBondContact OG-CG 3.41Å; S678-K682 PolarHBondContact O-N 2.95Å; D679-K682 PolarHBondContact O-N 3.48Å; D679-K682 IonicContact OD1-NZ 3.97Å; K682-A686 WeakPolarHBondContact O-CB 3.31Å; K682-A686 PolarHBondContact O-N 3.29Å
683	R	87.4	Confident	84.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.7	-47.4	176.7	-166.5	65.7	179.2	158.8	-3.1	112.6	C593 P594 R595 N597 D679 I680 V681 L685 A686 I687 D701 E702 P703 V707	C593-R683 PolarHBondContact SG-NH1 3.01Å; P594-R683 PolarHBondContact O-NH1 3.3Å; R595-R683 PolarHBondContact O-NH1 3.18Å; N597-R683 WeakPolarHBondContact OD1-CA 2.99Å; N597-R683 WeakPolarHBondContact OD1-CD 3.21Å; D679-R683 WeakPolarHBondContact O-CB 3.31Å; D679-R683 PolarHBondContact O-N 3.09Å; I680-R683 PolarHBondContact O-N 3.38Å; V681-R683 VanDerWaalsContact C-N 3.25Å; V681-R683 PolarHBondContact O-N 2.98Å; R683-L685 VanDerWaalsContact C-N 3.26Å; R683-L685 PolarHBondContact O-N 2.98Å; R683-A686 PolarHBondContact O-N 3.1Å; R683-I687 WeakPolarHBondContact O-CG1 3.38Å; R683-I687 PolarHBondContact O-N 3.39Å; R683-D701 PolarHBondContact NH2-O 3.37Å; R683-E702 VanDerWaalsContact NH2-C 3.35Å; R683-E702 PolarHBondContact NH2-O 2.88Å; R683-P703 WeakPolarHBondContact CG-O 3.23Å; R683-P703 PolarHBondContact NE-O 3.39Å; R683-V707 HydrophobicContact CB-CG2 4.16Å; R683-V707 HydrophobicContact CG-CG2 4.12Å
684	K	90.5	Very high	84.6	Confident	18 Å²	18	31.7 Å²	31.7	8%	0.078	18%	0.176	C	C	.	.	H	α-helix	trans	-54.5	-43.1	171.7	-80.4	-179.5	157.1	-153	0	111.1	A664 D665 L666 I680 V681 I687 A688 M718	A664-K684 VanDerWaalsContact O-CD 3.28Å; A664-K684 WeakPolarHBondContact O-CD 3.31Å; A664-K684 VanDerWaalsContact O-CE 3.24Å; A664-K684 WeakPolarHBondContact O-CE 3.42Å; A664-K684 PolarHBondContact O-NZ 3.09Å; D665-K684 PolarHBondContact O-NZ 2.84Å; D665-K684 VanDerWaalsContact O-NZ 3.08Å; D665-K684 IonicContact OD2-NZ 3.64Å; D665-K684 PolarHBondContact OD2-NZ 3.49Å; D665-K684 VanDerWaalsContact OD2-NZ 3.1Å; L666-K684 HydrophobicContact CD1-CB 3.9Å; L666-K684 HydrophobicContact CD2-CB 4.24Å; L666-K684 HydrophobicContact CD2-CD 3.93Å; L666-K684 HydrophobicContact CG-CB 4.23Å; L666-K684 HydrophobicContact CG-CD 4.33Å; I680-K684 WeakPolarHBondContact O-CB 3.49Å; I680-K684 WeakPolarHBondContact O-CG 3.42Å; I680-K684 PolarHBondContact O-N 3.3Å; V681-K684 PolarHBondContact O-N 2.61Å; K684-I687 PolarHBondContact O-N 2.99Å; K684-A688 VanDerWaalsContact O-CB 3.23Å; K684-A688 WeakPolarHBondContact O-CB 3.4Å; K684-A688 PolarHBondContact O-N 3.34Å; K684-M718 HydrophobicContact CB-SD 4.25Å; K684-M718 HydrophobicContact CG-SD 4.16Å
685	L	89.5	Confident	84.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.1	-40.3	177.4	179.8	55.2	0	0	0	112.8	Y630 V635 N638 L639 L666 V674 V681 R683 I687 A688 I689	Y630-L685 HydrophobicContact CE2-CD2 4.18Å; Y630-L685 HydrophobicContact CE2-CG 4.48Å; Y630-L685 WeakPolarHBondContact OH-CD2 3.3Å; Y630-L685 WeakPolarHBondContact OH-CG 3.47Å; V635-L685 HydrophobicContact CG1-CD1 4Å; V635-L685 HydrophobicContact CG1-CD2 4.4Å; V635-L685 HydrophobicContact CG2-CD2 4.43Å; N638-L685 HydrophobicContact CB-CD2 4.23Å; L639-L685 HydrophobicContact CD1-CD1 4.42Å; L639-L685 HydrophobicContact CD2-CD1 3.83Å; L639-L685 HydrophobicContact CG-CD1 3.84Å; L666-L685 HydrophobicContact CD1-CB 4.28Å; V674-L685 HydrophobicContact CG1-CD2 4.3Å; V674-L685 HydrophobicContact CG2-CD2 3.44Å; V674-L685 VanDerWaalsContact CG2-CD2 3.44Å; V681-L685 WeakPolarHBondContact O-CB 3.45Å; V681-L685 PolarHBondContact O-N 2.98Å; R683-L685 VanDerWaalsContact C-N 3.26Å; R683-L685 PolarHBondContact O-N 2.98Å; L685-I687 PolarHBondContact O-N 3.49Å; L685-A688 WeakPolarHBondContact O-CB 3.3Å; L685-A688 PolarHBondContact O-N 3.32Å; L685-I689 HydrophobicContact CD1-CD1 4.17Å; L685-I689 HydrophobicContact CD1-CG1 4.22Å; L685-I689 HydrophobicContact CG-CD1 4.08Å; L685-I689 WeakPolarHBondContact O-CG1 3.4Å; L685-I689 PolarHBondContact O-N 2.98Å
686	A	87.5	Confident	85.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175.3	0	0	0	0	0	112	V598 K682 R683 I689 A690	V598-A686 HydrophobicContact CG2-CB 3.87Å; K682-A686 WeakPolarHBondContact O-CB 3.31Å; K682-A686 PolarHBondContact O-N 3.29Å; R683-A686 PolarHBondContact O-N 3.1Å; A686-I689 PolarHBondContact O-N 3.33Å; A686-A690 PolarHBondContact O-N 3.18Å
687	I	88.7	Confident	85.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-43.1	173.7	-60	170.6	0	0	0	110	R683 K684 L685 I689 A690 L691 I700 V715 M718 I722	R683-I687 WeakPolarHBondContact O-CG1 3.38Å; R683-I687 PolarHBondContact O-N 3.39Å; K684-I687 PolarHBondContact O-N 2.99Å; L685-I687 PolarHBondContact O-N 3.49Å; I687-I689 VanDerWaalsContact C-N 3.32Å; I687-I689 PolarHBondContact O-N 3.48Å; I687-A690 WeakPolarHBondContact O-CA 3.31Å; I687-A690 WeakPolarHBondContact O-CB 3.13Å; I687-A690 PolarHBondContact O-N 2.7Å; I687-L691 WeakPolarHBondContact O-CG 3.45Å; I687-L691 PolarHBondContact O-N 3.45Å; I687-I700 HydrophobicContact CG2-CD1 4.15Å; I687-V715 HydrophobicContact CD1-CG1 3.73Å; I687-M718 HydrophobicContact CB-CE 3.91Å; I687-M718 HydrophobicContact CB-SD 4.16Å; I687-M718 HydrophobicContact CG2-CE 3.69Å; I687-M718 HydrophobicContact CG2-SD 4.1Å; I687-I722 HydrophobicContact CG2-CD1 3.83Å
688	A	90	Very high	86.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-40.1	178.2	0	0	0	0	0	112.9	L639 V660 A664 K684 L685 A690 L691 M718	L639-A688 HydrophobicContact CD2-CB 4Å; V660-A688 HydrophobicContact CG1-CB 3.57Å; V660-A688 VanDerWaalsContact CG1-O 3.32Å; V660-A688 WeakPolarHBondContact CG1-O 3.48Å; A664-A688 HydrophobicContact CB-CB 4.09Å; K684-A688 VanDerWaalsContact O-CB 3.23Å; K684-A688 WeakPolarHBondContact O-CB 3.4Å; K684-A688 PolarHBondContact O-N 3.34Å; L685-A688 WeakPolarHBondContact O-CB 3.3Å; L685-A688 PolarHBondContact O-N 3.32Å; A688-A690 VanDerWaalsContact C-N 3.31Å; A688-A690 PolarHBondContact O-N 3.33Å; A688-L691 WeakPolarHBondContact O-CB 3.17Å; A688-L691 PolarHBondContact O-N 2.75Å; A688-L691 VanDerWaalsContact O-N 3.09Å; A688-M718 HydrophobicContact CB-CE 4.08Å
689	I	88.4	Confident	86.8	Confident	11 Å²	11	20.6 Å²	20.6	6%	0.056	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-41.2	174	-72.2	159.6	0	0	0	110.9	V598 Y606 Y630 L639 F642 L685 A686 I687 L691 L692	V598-I689 HydrophobicContact CG2-CD1 4.21Å; Y606-I689 HydrophobicContact CD1-CG2 4.18Å; Y606-I689 HydrophobicContact CE1-CG2 4.47Å; Y630-I689 HydrophobicContact CE2-CD1 3.79Å; L639-I689 HydrophobicContact CD2-CG1 3.86Å; F642-I689 HydrophobicContact CB-CG1 4.47Å; F642-I689 HydrophobicContact CB-CG2 3.74Å; F642-I689 HydrophobicContact CD1-CG2 4.09Å; F642-I689 HydrophobicContact CD2-CD1 3.54Å; F642-I689 HydrophobicContact CD2-CG1 3.87Å; F642-I689 HydrophobicContact CD2-CG2 3.96Å; F642-I689 HydrophobicContact CE2-CD1 3.71Å; F642-I689 HydrophobicContact CG-CD1 4.38Å; F642-I689 HydrophobicContact CG-CG1 4.35Å; F642-I689 HydrophobicContact CG-CG2 3.66Å; L685-I689 HydrophobicContact CD1-CD1 4.17Å; L685-I689 HydrophobicContact CD1-CG1 4.22Å; L685-I689 HydrophobicContact CG-CD1 4.08Å; L685-I689 WeakPolarHBondContact O-CG1 3.4Å; L685-I689 PolarHBondContact O-N 2.98Å; A686-I689 PolarHBondContact O-N 3.33Å; I687-I689 VanDerWaalsContact C-N 3.32Å; I687-I689 PolarHBondContact O-N 3.48Å; I689-L691 PolarHBondContact O-N 3.26Å; I689-L692 WeakPolarHBondContact O-CB 3.28Å; I689-L692 PolarHBondContact O-N 3.33Å
690	A	87.8	Confident	87.4	Confident	5 Å²	5	16.3 Å²	16.3	4%	0.041	9%	0.088	C	C	.	.	H	α-helix	trans	-67	-15.7	176.1	0	0	0	0	0	113.8	G591 C593 A686 I687 A688 T695 I698	G591-A690 WeakPolarHBondContact CA-O 3.32Å; C593-A690 HydrophobicContact CB-CB 4.18Å; A686-A690 PolarHBondContact O-N 3.18Å; I687-A690 WeakPolarHBondContact O-CA 3.31Å; I687-A690 WeakPolarHBondContact O-CB 3.13Å; I687-A690 PolarHBondContact O-N 2.7Å; A688-A690 VanDerWaalsContact C-N 3.31Å; A688-A690 PolarHBondContact O-N 3.33Å; A690-T695 WeakPolarHBondContact O-CG2 3.38Å; A690-T695 PolarHBondContact O-OG1 2.73Å; A690-I698 HydrophobicContact CB-CG2 4.47Å
691	L	88.3	Confident	87.6	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.4	176.4	-55.3	-170.5	0	0	0	114	V660 I663 I687 A688 I689 I698 M718 I722	V660-L691 HydrophobicContact CG1-CB 4.41Å; V660-L691 HydrophobicContact CG2-CB 3.82Å; I663-L691 HydrophobicContact CB-CD1 4.43Å; I663-L691 HydrophobicContact CG2-CD1 3.85Å; I687-L691 WeakPolarHBondContact O-CG 3.45Å; I687-L691 PolarHBondContact O-N 3.45Å; A688-L691 WeakPolarHBondContact O-CB 3.17Å; A688-L691 PolarHBondContact O-N 2.75Å; A688-L691 VanDerWaalsContact O-N 3.09Å; I689-L691 PolarHBondContact O-N 3.26Å; L691-I698 HydrophobicContact CD2-CD1 3.36Å; L691-I698 HydrophobicContact CD2-CG1 4.3Å; L691-M718 HydrophobicContact CD1-CE 4.06Å; L691-I722 HydrophobicContact CD1-CD1 3.99Å; L691-I722 HydrophobicContact CD1-CG1 3.85Å; L691-I722 HydrophobicContact CD2-CD1 3.7Å; L691-I722 HydrophobicContact CD2-CG1 3.84Å; L691-I722 HydrophobicContact CD2-CG2 4.07Å; L691-I722 HydrophobicContact CG-CD1 4.4Å
692	L	86.7	Confident	87.7	Confident	1 Å²	1	15 Å²	15	1%	0.005	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	142.9	-172.7	-66.7	169.6	0	0	0	112	L639 F642 K646 I648 L653 D656 I657 V660 I689	L639-L692 HydrophobicContact CB-CD1 4.41Å; L639-L692 HydrophobicContact CD2-CD1 3.98Å; L639-L692 HydrophobicContact CD2-CD2 4.39Å; L639-L692 HydrophobicContact CD2-CG 4.35Å; L639-L692 WeakPolarHBondContact O-CD1 3.37Å; F642-L692 HydrophobicContact CB-CD1 4.2Å; K646-L692 WeakPolarHBondContact CD-O 3.38Å; K646-L692 WeakPolarHBondContact CE-O 3.24Å; K646-L692 PolarHBondContact NZ-O 3.04Å; I648-L692 HydrophobicContact CD1-CB 4.09Å; L653-L692 HydrophobicContact CD1-CD2 4.46Å; D656-L692 WeakPolarHBondContact OD2-CA 3.16Å; I657-L692 HydrophobicContact CG1-CD2 4.28Å; V660-L692 HydrophobicContact CG2-CD2 4.21Å; I689-L692 WeakPolarHBondContact O-CB 3.28Å; I689-L692 PolarHBondContact O-N 3.33Å
693	G	79.2	Confident	87.9	Confident	30 Å²	30	13 Å²	13	31%	0.309	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	21.5	-178.5	0	0	0	0	0	113.3	D656 T695	D656-G693 PolarHBondContact OD2-N 2.71Å; G693-T695 VanDerWaalsContact C-N 3.35Å; G693-T695 PolarHBondContact O-N 3.22Å
694	N	79.6	Confident	88	Confident	108 Å²	108	13 Å²	13	58%	0.578	7%	0.072	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	51	-177.1	-166.5	33.7	0	0	0	114.1	K696 R726	N694-K696 PolarHBondContact O-N 2.65Å; N694-R726 PolarHBondContact OD1-NH2 3.4Å
695	T	85.1	Confident	87.7	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.			trans	-51	134	177.3	50.3	0	0	0	0	112.6	F589 L590 A690 G693 I698 R726	F589-T695 CarbonylContact O-C 3.48Å; F589-T695 VanDerWaalsContact O-CA 3.28Å; F589-T695 WeakPolarHBondContact O-CA 3.08Å; F589-T695 WeakPolarHBondContact O-CB 3.16Å; L590-T695 VanDerWaalsContact C-CG2 3.49Å; L590-T695 WeakPolarHBondContact O-CG2 3.13Å; A690-T695 WeakPolarHBondContact O-CG2 3.38Å; A690-T695 PolarHBondContact O-OG1 2.73Å; G693-T695 VanDerWaalsContact C-N 3.35Å; G693-T695 PolarHBondContact O-N 3.22Å; T695-I698 WeakPolarHBondContact OG1-CG1 3.34Å; T695-R726 WeakPolarHBondContact O-CD 3.49Å; T695-R726 WeakPolarHBondContact O-CG 3.33Å; T695-R726 PolarHBondContact O-NE 3.29Å; T695-R726 VanDerWaalsContact O-NE 3.11Å
696	K	86.6	Confident	86.9	Confident	95 Å²	95	19 Å²	19	41%	0.413	12%	0.115	S	C	.	.	S	Bend	trans	-79.9	-43.5	172.7	-69.9	175.7	173.6	179.2	0	111.3	L575 F589 N694 R726 T727	L575-K696 HydrophobicContact CD1-CD 3.64Å; L575-K696 HydrophobicContact CD2-CD 4.02Å; F589-K696 HydrophobicContact CD1-CD 3.99Å; F589-K696 HydrophobicContact CD1-CG 4.34Å; F589-K696 HydrophobicContact CG-CD 4.49Å; F589-K696 PolarHBondContact O-N 3.21Å; N694-K696 PolarHBondContact O-N 2.65Å; K696-R726 WeakPolarHBondContact O-CA 3.32Å; K696-T727 PolarHBondContact O-N 3.18Å
697	V	89.6	Confident	86.8	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.4	-178.5	-173.1	0	0	0	0	109.6	D511 L512 L574 F589 L590 G591 T727 I729	D511-V697 HydrophobicContact CB-CG2 3.83Å; L512-V697 HydrophobicContact CD1-CG1 4.15Å; L574-V697 HydrophobicContact CD1-CB 4.21Å; L574-V697 HydrophobicContact CD1-CG1 4.5Å; L574-V697 HydrophobicContact CD1-CG2 3.86Å; F589-V697 PolarHBondContact O-N 3.36Å; L590-V697 CarbonylContact C-O 3.5Å; L590-V697 WeakPolarHBondContact CA-O 3.32Å; L590-V697 HydrophobicContact CD1-CB 3.99Å; L590-V697 HydrophobicContact CD1-CG1 3.98Å; G591-V697 PolarHBondContact N-O 2.87Å; V697-T727 WeakPolarHBondContact CA-O 3.45Å; V697-T727 HydrophobicContact CG1-CG2 4.45Å; V697-I729 HydrophobicContact CG1-CD1 4Å
698	I	90.9	Very high	86.5	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.4	-179.8	-62.7	156.5	0	0	0	109.1	G591 A690 L691 T695 I700 I722 R726 T727 I729	G591-I698 CarbonylContact O-C 3.59Å; G591-I698 WeakPolarHBondContact O-CA 3.08Å; A690-I698 HydrophobicContact CB-CG2 4.47Å; L691-I698 HydrophobicContact CD2-CD1 3.36Å; L691-I698 HydrophobicContact CD2-CG1 4.3Å; T695-I698 WeakPolarHBondContact OG1-CG1 3.34Å; I698-I700 HydrophobicContact CG2-CD1 4.17Å; I698-I700 HydrophobicContact CG2-CG1 3.9Å; I698-I722 HydrophobicContact CD1-CG2 3.47Å; I698-I722 VanDerWaalsContact CD1-CG2 3.47Å; I698-R726 HydrophobicContact CD1-CB 4.25Å; I698-T727 PolarHBondContact N-O 2.89Å; I698-I729 PolarHBondContact O-N 3.03Å
699	V	90.7	Very high	86.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.7	-179	179.2	0	0	0	0	110.2	L558 L590 G591 Y592 C593 I729	L558-V699 HydrophobicContact CB-CG1 3.86Å; L558-V699 HydrophobicContact CD1-CG1 3.86Å; L558-V699 HydrophobicContact CD2-CG1 3.81Å; L558-V699 HydrophobicContact CG-CG1 4.04Å; L590-V699 HydrophobicContact CD1-CG2 4.08Å; G591-V699 PolarHBondContact O-N 3.03Å; Y592-V699 CarbonylContact C-O 3.54Å; Y592-V699 WeakPolarHBondContact CA-O 3.32Å; Y592-V699 HydrophobicContact CD2-CB 4.06Å; Y592-V699 HydrophobicContact CD2-CG1 3.89Å; Y592-V699 HydrophobicContact CE2-CG1 4.17Å; C593-V699 PolarHBondContact N-O 3.22Å; V699-I729 CarbonylContact C-O 3.6Å; V699-I729 VanDerWaalsContact CA-O 3.26Å; V699-I729 WeakPolarHBondContact CA-O 3.32Å; V699-I729 HydrophobicContact CG2-CB 4.31Å; V699-I729 HydrophobicContact CG2-CD1 4.41Å
700	I	91.3	Very high	85.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	113	-175.2	-48.6	177.5	0	0	0	110.7	C593 I687 I698 E702 P703 V728 I729 F730 S731	C593-I700 HydrophobicContact CB-CB 4.43Å; C593-I700 HydrophobicContact CB-CG1 4.29Å; C593-I700 HydrophobicContact CB-CG2 4.09Å; C593-I700 CarbonylContact O-C 3.54Å; C593-I700 WeakPolarHBondContact O-CA 3.48Å; I687-I700 HydrophobicContact CG2-CD1 4.15Å; I698-I700 HydrophobicContact CG2-CD1 4.17Å; I698-I700 HydrophobicContact CG2-CG1 3.9Å; I700-E702 PolarHBondContact O-N 3.42Å; I700-P703 HydrophobicContact CG2-CB 3.88Å; I700-V728 HydrophobicContact CD1-CG1 4.28Å; I700-I729 PolarHBondContact N-O 3.02Å; I700-F730 HydrophobicContact CB-CB 4.07Å; I700-F730 CarbonylContact O-C 3.56Å; I700-F730 WeakPolarHBondContact O-CA 3.38Å; I700-F730 WeakPolarHBondContact O-CB 3.46Å; I700-S731 PolarHBondContact O-N 3.39Å
701	D	90.4	Very high	85.7	Confident	3 Å²	3	42 Å²	42	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	114.5	175.4	-167.5	44.6	0	0	0	110.3	T555 L558 C593 R595 R683 S731	T555-D701 WeakPolarHBondContact CG2-OD2 3.4Å; T555-D701 PolarHBondContact OG1-OD1 2.87Å; T555-D701 VanDerWaalsContact OG1-OD1 3.11Å; T555-D701 PolarHBondContact OG1-OD2 2.98Å; L558-D701 HydrophobicContact CD1-CB 4.01Å; C593-D701 PolarHBondContact O-N 2.83Å; R595-D701 WeakPolarHBondContact CA-O 3.33Å; R595-D701 WeakPolarHBondContact CB-OD2 3.22Å; R595-D701 IonicContact CZ-OD2 2.71Å; R595-D701 IonicContact NE-OD2 2.67Å; R595-D701 IonicContact NH2-OD1 2.64Å; R595-D701 IonicContact NH2-OD2 3.36Å; R595-D701 PolarHBondContact NH2-OD2 2.87Å; R683-D701 PolarHBondContact NH2-O 3.37Å; D701-S731 VanDerWaalsContact CA-OG 3.3Å; D701-S731 WeakPolarHBondContact CA-OG 3.4Å; D701-S731 PolarHBondContact OD1-OG 3.07Å
702	E	88.9	Confident	85.8	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.229	C	C	.	.	S	Bend	trans	50.2	74.2	180	-58.8	-80.7	168.7	0	0	113.8	K554 R595 R683 I700 T704 F705 S731 T732 Q733	K554-E702 WeakPolarHBondContact CE-OE1 3.39Å; K554-E702 IonicContact NZ-OE1 2.82Å; K554-E702 PolarHBondContact NZ-OE1 2.95Å; R595-E702 HydrophobicContact CG-CB 4.38Å; R683-E702 VanDerWaalsContact NH2-C 3.35Å; R683-E702 PolarHBondContact NH2-O 2.88Å; I700-E702 PolarHBondContact O-N 3.42Å; E702-T704 VanDerWaalsContact C-N 3.29Å; E702-T704 PolarHBondContact O-N 3.41Å; E702-T704 VanDerWaalsContact O-N 3.11Å; E702-F705 HydrophobicContact CB-CB 3.83Å; E702-F705 WeakPolarHBondContact O-CB 3.34Å; E702-F705 PolarHBondContact O-N 2.92Å; E702-S731 WeakPolarHBondContact CA-O 3.46Å; E702-S731 PolarHBondContact N-O 3.2Å; E702-S731 VanDerWaalsContact N-O 3.12Å; E702-S731 PolarHBondContact N-OG 3.49Å; E702-T732 WeakPolarHBondContact OE2-CA 3.35Å; E702-Q733 PolarHBondContact OE1-N 3.42Å; E702-Q733 PolarHBondContact OE2-N 3.33Å; E702-Q733 VanDerWaalsContact OE2-N 3.13Å
703	P	89.9	Confident	85.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.4	-168.8	19.2	-30.3	0	0	0	114.7	R683 I700 V715 I719 F730 S731	R683-P703 WeakPolarHBondContact CG-O 3.23Å; R683-P703 PolarHBondContact NE-O 3.39Å; I700-P703 HydrophobicContact CG2-CB 3.88Å; P703-V715 HydrophobicContact CB-CG1 4.21Å; P703-I719 HydrophobicContact CB-CD1 3.82Å; P703-I719 HydrophobicContact CG-CD1 4.29Å; P703-F730 HydrophobicContact CG-CB 4.31Å; P703-F730 HydrophobicContact CG-CD2 3.63Å; P703-F730 HydrophobicContact CG-CE2 4.22Å; P703-F730 HydrophobicContact CG-CG 4.2Å; P703-S731 WeakPolarHBondContact CD-O 3.47Å
704	T	88.6	Confident	86.3	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	16.3	178.2	54.7	0	0	0	0	114.9	E702 G706 V707 R712 V715 E737	E702-T704 VanDerWaalsContact C-N 3.29Å; E702-T704 PolarHBondContact O-N 3.41Å; E702-T704 VanDerWaalsContact O-N 3.11Å; T704-G706 PolarHBondContact O-N 2.95Å; T704-V707 PolarHBondContact O-N 2.93Å; T704-V707 VanDerWaalsContact O-N 3.12Å; T704-R712 HydrophobicContact CG2-CB 3.77Å; T704-R712 HydrophobicContact CG2-CG 3.63Å; T704-V715 HydrophobicContact CG2-CB 4.09Å; T704-V715 HydrophobicContact CG2-CG1 4.37Å; T704-V715 HydrophobicContact CG2-CG2 4.28Å; T704-E737 VanDerWaalsContact CB-OE1 3.3Å; T704-E737 WeakPolarHBondContact CB-OE1 3.21Å; T704-E737 WeakPolarHBondContact CG2-OE1 3.41Å; T704-E737 VanDerWaalsContact OG1-CD 3.27Å; T704-E737 PolarHBondContact OG1-OE1 3.36Å; T704-E737 PolarHBondContact OG1-OE2 2.94Å
705	F	84.1	Confident	86.8	Confident	81 Å²	81	43.3 Å²	43.3	36%	0.355	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	130.7	173.4	-169.1	-98.4	0	0	0	111.6	R595 E702 V707	R595-F705 HydrophobicContact CG-CB 3.99Å; R595-F705 HydrophobicContact CG-CD1 3.44Å; R595-F705 VanDerWaalsContact CG-CD1 3.44Å; R595-F705 HydrophobicContact CG-CD2 4.03Å; R595-F705 HydrophobicContact CG-CE1 3.85Å; R595-F705 HydrophobicContact CG-CE2 4.4Å; R595-F705 HydrophobicContact CG-CG 3.54Å; R595-F705 HydrophobicContact CG-CZ 4.32Å; E702-F705 HydrophobicContact CB-CB 3.83Å; E702-F705 WeakPolarHBondContact O-CB 3.34Å; E702-F705 PolarHBondContact O-N 2.92Å; F705-V707 PolarHBondContact O-N 3.42Å
706	G	73.4	Confident	87.1	Confident	61 Å²	61	44 Å²	44	63%	0.629	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	-2.3	-176.2	0	0	0	0	0	115.4	T704	T704-G706 PolarHBondContact O-N 2.95Å
707	V	84.3	Confident	87.3	Confident	12 Å²	12	43 Å²	43	7%	0.073	23%	0.234	C	C	.	.	S	Bend	trans	-94	131.9	176.4	179.7	0	0	0	0	109.7	I680 R683 T704 F705 L711 R712 V715	I680-V707 HydrophobicContact CD1-CG1 3.88Å; I680-V707 HydrophobicContact CD1-CG2 4.16Å; R683-V707 HydrophobicContact CB-CG2 4.16Å; R683-V707 HydrophobicContact CG-CG2 4.12Å; T704-V707 PolarHBondContact O-N 2.93Å; T704-V707 VanDerWaalsContact O-N 3.12Å; F705-V707 PolarHBondContact O-N 3.42Å; V707-L711 HydrophobicContact CG1-CB 3.76Å; V707-R712 HydrophobicContact CG1-CG 4.45Å; V707-V715 HydrophobicContact CG1-CG2 4.5Å; V707-V715 HydrophobicContact CG2-CG2 4.28Å
708	D	82.8	Confident	87.3	Confident	97 Å²	97	43.2 Å²	43.2	52%	0.519	24%	0.235	S	C	.	.			trans	-59.3	147.5	174.8	178.8	44.7	0	0	0	111.6	V710 L711 R712	D708-V710 PolarHBondContact O-N 3.4Å; D708-V710 VanDerWaalsContact O-N 3.13Å; D708-L711 HydrophobicContact CB-CD1 4.44Å; D708-L711 PolarHBondContact O-N 3.06Å; D708-R712 PolarHBondContact O-N 3.12Å
709	R	82.5	Confident	87.3	Confident	196 Å²	196	43.2 Å²	43.2	74%	0.74	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-54.3	-38.7	-173.6	-66.9	-171.7	-176.8	-150.9	1.5	112.6	L711 R712	R709-L711 VanDerWaalsContact C-N 3.33Å; R709-R712 WeakPolarHBondContact O-CG 3.49Å
710	V	82.4	Confident	87.2	Confident	111 Å²	111	47.5 Å²	47.5	67%	0.673	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-69.2	-32.4	-180	-175	0	0	0	0	111.8	D708	D708-V710 PolarHBondContact O-N 3.4Å; D708-V710 VanDerWaalsContact O-N 3.13Å
711	L	85.5	Confident	87.1	Confident	83 Å²	83	50.6 Å²	50.6	44%	0.435	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-86.6	-6.2	-175.3	-62.1	179.7	0	0	0	113.8	I680 V707 D708 R709 H713 A714	I680-L711 HydrophobicContact CG2-CD1 4.27Å; V707-L711 HydrophobicContact CG1-CB 3.76Å; D708-L711 HydrophobicContact CB-CD1 4.44Å; D708-L711 PolarHBondContact O-N 3.06Å; R709-L711 VanDerWaalsContact C-N 3.33Å; L711-H713 VanDerWaalsContact C-N 3.26Å; L711-H713 PolarHBondContact O-N 2.71Å; L711-A714 WeakPolarHBondContact O-CB 3.5Å; L711-A714 PolarHBondContact O-N 3.43Å; L711-A714 VanDerWaalsContact O-N 3.11Å
712	R	88.5	Confident	87	Confident	15 Å²	15	50.7 Å²	50.7	6%	0.057	28%	0.276	C	S	.	.	H	α-helix	trans	-56.4	-38.9	178.8	-66.9	-171.7	174.7	-170.1	-11.7	113.3	T704 V707 D708 R709 A714 V715 W716 Y734 D736	T704-R712 HydrophobicContact CG2-CB 3.77Å; T704-R712 HydrophobicContact CG2-CG 3.63Å; V707-R712 HydrophobicContact CG1-CG 4.45Å; D708-R712 PolarHBondContact O-N 3.12Å; R709-R712 WeakPolarHBondContact O-CG 3.49Å; R712-A714 PolarHBondContact O-N 2.89Å; R712-A714 VanDerWaalsContact O-N 3.08Å; R712-V715 WeakPolarHBondContact O-CB 3.2Å; R712-V715 PolarHBondContact O-N 3.19Å; R712-W716 HydrophobicContact CB-CD2 4.35Å; R712-W716 HydrophobicContact CB-CH2 4.44Å; R712-W716 HydrophobicContact CB-CZ2 3.92Å; R712-W716 PolarHBondContact O-N 3.37Å; R712-Y734 PolarHBondContact NH2-OH 3.22Å; R712-D736 IonicContact NH1-OD2 3.62Å
713	H	88.6	Confident	86.7	Confident	116 Å²	116	53.1 Å²	53.1	54%	0.537	29%	0.287	S	S	.	.	H	α-helix	trans	-52.7	-33.1	177.8	-64.1	-68.5	0	0	0	112.8	L711 W716 S717	L711-H713 VanDerWaalsContact C-N 3.26Å; L711-H713 PolarHBondContact O-N 2.71Å; H713-W716 AromaticContact CE1-CE3 3.98Å; H713-W716 AromaticContact CE1-CZ3 3.56Å; H713-W716 AromaticContact ND1-CE3 3.44Å; H713-W716 AromaticContact ND1-CZ3 3.53Å; H713-W716 PolarHBondContact O-N 3.02Å; H713-S717 WeakPolarHBondContact O-CB 3.31Å; H713-S717 PolarHBondContact O-N 3.49Å; H713-S717 PolarHBondContact O-OG 2.82Å
714	A	88.5	Confident	86.1	Confident	36 Å²	36	61.9 Å²	61.9	30%	0.298	33%	0.325	S	S	.	.	H	α-helix	trans	-70.3	-31.2	177.4	0	0	0	0	0	113.4	I680 L711 R712	I680-A714 HydrophobicContact CD1-CB 4.31Å; L711-A714 WeakPolarHBondContact O-CB 3.5Å; L711-A714 PolarHBondContact O-N 3.43Å; L711-A714 VanDerWaalsContact O-N 3.11Å; R712-A714 PolarHBondContact O-N 2.89Å; R712-A714 VanDerWaalsContact O-N 3.08Å
715	V	91	Very high	85.6	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-73.8	-41.9	171.1	-175.3	0	0	0	0	109.9	I680 I687 P703 T704 V707 R712 S717 M718 I719	I680-V715 HydrophobicContact CD1-CG2 3.42Å; I680-V715 VanDerWaalsContact CD1-CG2 3.42Å; I687-V715 HydrophobicContact CD1-CG1 3.73Å; P703-V715 HydrophobicContact CB-CG1 4.21Å; T704-V715 HydrophobicContact CG2-CB 4.09Å; T704-V715 HydrophobicContact CG2-CG1 4.37Å; T704-V715 HydrophobicContact CG2-CG2 4.28Å; V707-V715 HydrophobicContact CG1-CG2 4.5Å; V707-V715 HydrophobicContact CG2-CG2 4.28Å; R712-V715 WeakPolarHBondContact O-CB 3.2Å; R712-V715 PolarHBondContact O-N 3.19Å; V715-S717 PolarHBondContact O-N 3.18Å; V715-M718 WeakPolarHBondContact O-CB 3.31Å; V715-M718 PolarHBondContact O-N 3.48Å; V715-M718 VanDerWaalsContact O-N 3.13Å; V715-I719 HydrophobicContact CG1-CD1 4.09Å; V715-I719 PolarHBondContact O-N 3.07Å
716	W	91.4	Very high	85.8	Confident	15 Å²	15	68 Å²	68	6%	0.057	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-44.6	179.6	-61.7	-9.1	0	0	0	112.1	R712 H713 M718 I719 F720 E737 I740 L741	R712-W716 HydrophobicContact CB-CD2 4.35Å; R712-W716 HydrophobicContact CB-CH2 4.44Å; R712-W716 HydrophobicContact CB-CZ2 3.92Å; R712-W716 PolarHBondContact O-N 3.37Å; H713-W716 AromaticContact CE1-CE3 3.98Å; H713-W716 AromaticContact CE1-CZ3 3.56Å; H713-W716 AromaticContact ND1-CE3 3.44Å; H713-W716 AromaticContact ND1-CZ3 3.53Å; H713-W716 PolarHBondContact O-N 3.02Å; W716-M718 VanDerWaalsContact C-N 3.26Å; W716-M718 PolarHBondContact O-N 3.25Å; W716-I719 PolarHBondContact O-N 3.46Å; W716-I719 VanDerWaalsContact O-N 3.13Å; W716-F720 HydrophobicContact CB-CE2 4.49Å; W716-F720 WeakPolarHBondContact O-CD2 3.26Å; W716-F720 PolarHBondContact O-N 3.15Å; W716-E737 HydrophobicContact CZ2-CB 4.04Å; W716-E737 HydrophobicContact CZ2-CG 4.25Å; W716-E737 PolarHBondContact NE1-OE1 3.32Å; W716-I740 HydrophobicContact CE3-CD1 4.32Å; W716-I740 HydrophobicContact CE3-CG2 4.1Å; W716-I740 HydrophobicContact CH2-CD1 3.79Å; W716-I740 HydrophobicContact CZ3-CD1 3.52Å; W716-I740 HydrophobicContact CZ3-CG2 4.36Å; W716-L741 HydrophobicContact CB-CD2 3.75Å; W716-L741 HydrophobicContact CG-CD1 4.32Å; W716-L741 HydrophobicContact CG-CD2 3.94Å; W716-L741 HydrophobicContact CG-CG 4.31Å
717	S	89.6	Confident	86.6	Confident	73 Å²	73	65.1 Å²	65.1	51%	0.51	32%	0.321	S	S	.	.	H	α-helix	trans	-58.8	-34.8	173.2	-61.4	0	0	0	0	113.3	H713 V715 S721	H713-S717 WeakPolarHBondContact O-CB 3.31Å; H713-S717 PolarHBondContact O-N 3.49Å; H713-S717 PolarHBondContact O-OG 2.82Å; V715-S717 PolarHBondContact O-N 3.18Å; S717-S721 PolarHBondContact O-N 3.38Å; S717-S721 PolarHBondContact O-OG 3.26Å
718	M	90.5	Very high	87	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.02	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-44.7	173.9	-173.4	179.1	179.4	0	0	111.2	A664 K684 I687 A688 L691 V715 W716 S721 I722	A664-M718 HydrophobicContact CB-CE 3.55Å; A664-M718 HydrophobicContact CB-SD 4.1Å; K684-M718 HydrophobicContact CB-SD 4.25Å; K684-M718 HydrophobicContact CG-SD 4.16Å; I687-M718 HydrophobicContact CB-CE 3.91Å; I687-M718 HydrophobicContact CB-SD 4.16Å; I687-M718 HydrophobicContact CG2-CE 3.69Å; I687-M718 HydrophobicContact CG2-SD 4.1Å; A688-M718 HydrophobicContact CB-CE 4.08Å; L691-M718 HydrophobicContact CD1-CE 4.06Å; V715-M718 WeakPolarHBondContact O-CB 3.31Å; V715-M718 PolarHBondContact O-N 3.48Å; V715-M718 VanDerWaalsContact O-N 3.13Å; W716-M718 VanDerWaalsContact C-N 3.26Å; W716-M718 PolarHBondContact O-N 3.25Å; M718-S721 WeakPolarHBondContact O-CB 3.47Å; M718-S721 PolarHBondContact O-N 3Å; M718-S721 VanDerWaalsContact O-N 3.1Å; M718-I722 HydrophobicContact CE-CD1 4.44Å; M718-I722 HydrophobicContact CG-CD1 4.05Å; M718-I722 WeakPolarHBondContact O-CD1 3.44Å; M718-I722 VanDerWaalsContact O-CG1 3.3Å; M718-I722 WeakPolarHBondContact O-CG1 3.41Å; M718-I722 PolarHBondContact O-N 3.45Å
719	I	91.6	Very high	87.5	Confident	1 Å²	1	60 Å²	60	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-44.9	177.4	-67	170.4	0	0	0	111.5	P703 V715 W716 S721 I722 K723 V728 L741	P703-I719 HydrophobicContact CB-CD1 3.82Å; P703-I719 HydrophobicContact CG-CD1 4.29Å; V715-I719 HydrophobicContact CG1-CD1 4.09Å; V715-I719 PolarHBondContact O-N 3.07Å; W716-I719 PolarHBondContact O-N 3.46Å; W716-I719 VanDerWaalsContact O-N 3.13Å; I719-S721 PolarHBondContact O-N 3.33Å; I719-I722 WeakPolarHBondContact O-CB 3.28Å; I719-I722 PolarHBondContact O-N 3.16Å; I719-I722 VanDerWaalsContact O-N 3.1Å; I719-K723 PolarHBondContact O-N 2.89Å; I719-V728 HydrophobicContact CG2-CG1 4.41Å; I719-L741 HydrophobicContact CB-CD2 4.28Å; I719-L741 HydrophobicContact CD1-CD1 3.83Å; I719-L741 HydrophobicContact CG2-CD2 4.18Å
720	F	88.5	Confident	88.1	Confident	89 Å²	89	50.6 Å²	50.6	39%	0.39	26%	0.257	S	S	.	.	H	α-helix	trans	-60.1	-31.4	173.6	-73.7	-57.8	0	0	0	113.4	W716 I740 L741	W716-F720 HydrophobicContact CB-CE2 4.49Å; W716-F720 WeakPolarHBondContact O-CD2 3.26Å; W716-F720 PolarHBondContact O-N 3.15Å; F720-I740 HydrophobicContact CE2-CG2 4.36Å; F720-I740 HydrophobicContact CZ-CG2 4.12Å; F720-I740 VanDerWaalsContact CZ-O 3.3Å; F720-I740 WeakPolarHBondContact CZ-O 3.38Å; F720-L741 HydrophobicContact CD2-CD2 4.31Å; F720-L741 HydrophobicContact CE1-CD2 4.39Å; F720-L741 HydrophobicContact CE2-CD2 3.88Å; F720-L741 HydrophobicContact CZ-CD2 3.93Å
721	S	87.5	Confident	88.7	Confident	65 Å²	65	45.3 Å²	45.3	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-73.3	-32.2	176.6	-59.5	0	0	0	0	112.2	S717 M718 I719	S717-S721 PolarHBondContact O-N 3.38Å; S717-S721 PolarHBondContact O-OG 3.26Å; M718-S721 WeakPolarHBondContact O-CB 3.47Å; M718-S721 PolarHBondContact O-N 3Å; M718-S721 VanDerWaalsContact O-N 3.1Å; I719-S721 PolarHBondContact O-N 3.33Å
722	I	88.1	Confident	89	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-72.9	-41.3	177.3	-66.3	157.8	0	0	0	111.6	I663 I687 L691 I698 M718 I719 K724 R726 V728	I663-I722 HydrophobicContact CG2-CG1 3.86Å; I687-I722 HydrophobicContact CG2-CD1 3.83Å; L691-I722 HydrophobicContact CD1-CD1 3.99Å; L691-I722 HydrophobicContact CD1-CG1 3.85Å; L691-I722 HydrophobicContact CD2-CD1 3.7Å; L691-I722 HydrophobicContact CD2-CG1 3.84Å; L691-I722 HydrophobicContact CD2-CG2 4.07Å; L691-I722 HydrophobicContact CG-CD1 4.4Å; I698-I722 HydrophobicContact CD1-CG2 3.47Å; I698-I722 VanDerWaalsContact CD1-CG2 3.47Å; M718-I722 HydrophobicContact CE-CD1 4.44Å; M718-I722 HydrophobicContact CG-CD1 4.05Å; M718-I722 WeakPolarHBondContact O-CD1 3.44Å; M718-I722 VanDerWaalsContact O-CG1 3.3Å; M718-I722 WeakPolarHBondContact O-CG1 3.41Å; M718-I722 PolarHBondContact O-N 3.45Å; I719-I722 WeakPolarHBondContact O-CB 3.28Å; I719-I722 PolarHBondContact O-N 3.16Å; I719-I722 VanDerWaalsContact O-N 3.1Å; I722-K724 VanDerWaalsContact C-N 3.25Å; I722-K724 PolarHBondContact O-N 3.23Å; I722-R726 HydrophobicContact CG2-CB 4.35Å; I722-V728 HydrophobicContact CG2-CG2 3.69Å
723	K	84.4	Confident	89	Confident	53 Å²	53	43.8 Å²	43.8	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-46.1	-40.1	-174.9	175	176.8	-179.5	160.9	0	115	V543 I719 K725 R726 D743	V543-K723 HydrophobicContact CG2-CB 3.96Å; V543-K723 HydrophobicContact CG2-CD 3.62Å; V543-K723 HydrophobicContact CG2-CG 3.69Å; I719-K723 PolarHBondContact O-N 2.89Å; K723-K725 PolarHBondContact O-N 3.36Å; K723-R726 PolarHBondContact O-N 2.77Å; K723-D743 WeakPolarHBondContact CE-OD2 3.5Å; K723-D743 IonicContact NZ-OD1 3.61Å; K723-D743 PolarHBondContact NZ-OD1 2.84Å; K723-D743 IonicContact NZ-OD2 2.76Å; K723-D743 PolarHBondContact NZ-OD2 3.02Å
724	K	75.9	Confident	88.9	Confident	184 Å²	184	41.4 Å²	41.4	80%	0.8	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.2	-167.1	-68.1	-174	178.4	179.8	0	116.7	I722	I722-K724 VanDerWaalsContact C-N 3.25Å; I722-K724 PolarHBondContact O-N 3.23Å
725	K	78.3	Confident	88.9	Confident	191 Å²	191	41 Å²	41	83%	0.83	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.9	4.3	-179.1	-64.8	-173	177.9	-178.9	0	114.2	K723	K723-K725 PolarHBondContact O-N 3.36Å
726	R	87.9	Confident	88.7	Confident	21 Å²	21	44.5 Å²	44.5	8%	0.079	22%	0.215	C	C	.	.	S	Bend	trans	-146.1	146.3	-162.7	-62.2	-177.9	177.7	162.6	-0.7	111.2	N694 T695 K696 I698 I722 K723	N694-R726 PolarHBondContact OD1-NH2 3.4Å; T695-R726 WeakPolarHBondContact O-CD 3.49Å; T695-R726 WeakPolarHBondContact O-CG 3.33Å; T695-R726 PolarHBondContact O-NE 3.29Å; T695-R726 VanDerWaalsContact O-NE 3.11Å; K696-R726 WeakPolarHBondContact O-CA 3.32Å; I698-R726 HydrophobicContact CD1-CB 4.25Å; I722-R726 HydrophobicContact CG2-CB 4.35Å; K723-R726 PolarHBondContact O-N 2.77Å
727	T	91.3	Very high	88.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120	176.3	-56.6	0	0	0	0	108.5	D511 Y539 A540 G541 K696 V697 I698	D511-T727 HydrophobicContact CB-CG2 4.32Å; D511-T727 WeakPolarHBondContact OD2-CB 3.46Å; D511-T727 PolarHBondContact OD2-OG1 3.35Å; Y539-T727 WeakPolarHBondContact O-CG2 3.5Å; Y539-T727 PolarHBondContact O-OG1 2.73Å; A540-T727 VanDerWaalsContact CA-OG1 3.29Å; A540-T727 WeakPolarHBondContact CA-OG1 3.16Å; G541-T727 PolarHBondContact N-OG1 2.82Å; K696-T727 PolarHBondContact O-N 3.18Å; V697-T727 WeakPolarHBondContact CA-O 3.45Å; V697-T727 HydrophobicContact CG1-CG2 4.45Å; I698-T727 PolarHBondContact N-O 2.89Å
728	V	93	Very high	88.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.4	-174.4	-176.1	0	0	0	0	109.6	E542 V543 T544 I700 I719 I722	E542-V728 PolarHBondContact O-N 3.24Å; V543-V728 CarbonylContact C-O 3.52Å; V543-V728 VanDerWaalsContact CA-O 3.28Å; V543-V728 WeakPolarHBondContact CA-O 3.33Å; V543-V728 HydrophobicContact CG1-CB 4.23Å; V543-V728 HydrophobicContact CG1-CG1 4.38Å; V543-V728 HydrophobicContact CG2-CB 4.21Å; T544-V728 PolarHBondContact N-O 2.93Å; I700-V728 HydrophobicContact CD1-CG1 4.28Å; I719-V728 HydrophobicContact CG2-CG1 4.41Å; I722-V728 HydrophobicContact CG2-CG2 3.69Å
729	I	93.6	Very high	88.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.6	178.9	-52.8	173.7	0	0	0	106.8	L512 F538 T544 L558 M561 V697 I698 V699 I700	L512-I729 HydrophobicContact CD1-CD1 4.04Å; F538-I729 HydrophobicContact CB-CD1 3.92Å; F538-I729 HydrophobicContact CB-CG1 4.47Å; F538-I729 HydrophobicContact CD1-CB 4.47Å; F538-I729 HydrophobicContact CD1-CD1 3.47Å; F538-I729 VanDerWaalsContact CD1-CD1 3.47Å; F538-I729 HydrophobicContact CD1-CG1 3.62Å; F538-I729 HydrophobicContact CD1-CG2 4.1Å; F538-I729 HydrophobicContact CD2-CD1 4.08Å; F538-I729 HydrophobicContact CE1-CB 4.48Å; F538-I729 HydrophobicContact CE1-CD1 3.95Å; F538-I729 HydrophobicContact CE1-CG1 4.08Å; F538-I729 HydrophobicContact CE1-CG2 3.63Å; F538-I729 HydrophobicContact CE2-CD1 4.49Å; F538-I729 HydrophobicContact CG-CD1 3.55Å; F538-I729 HydrophobicContact CG-CG1 4.16Å; F538-I729 HydrophobicContact CZ-CD1 4.43Å; F538-I729 HydrophobicContact CZ-CG2 4.28Å; T544-I729 WeakPolarHBondContact O-CA 3.38Å; L558-I729 HydrophobicContact CD2-CG2 4.06Å; M561-I729 HydrophobicContact CE-CD1 3.6Å; M561-I729 HydrophobicContact CE-CG2 4.11Å; V697-I729 HydrophobicContact CG1-CD1 4Å; I698-I729 PolarHBondContact O-N 3.03Å; V699-I729 CarbonylContact C-O 3.6Å; V699-I729 VanDerWaalsContact CA-O 3.26Å; V699-I729 WeakPolarHBondContact CA-O 3.32Å; V699-I729 HydrophobicContact CG2-CB 4.31Å; V699-I729 HydrophobicContact CG2-CD1 4.41Å; I700-I729 PolarHBondContact N-O 3.02Å
730	F	94.5	Very high	88.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.3	176.7	75.9	-88	0	0	0	112.6	V543 T544 A545 L546 I700 P703 T732 E737 L741 A742	V543-F730 HydrophobicContact CG1-CD1 3.83Å; V543-F730 HydrophobicContact CG1-CE1 3.65Å; T544-F730 PolarHBondContact O-N 3.11Å; A545-F730 CarbonylContact C-O 3.24Å; A545-F730 WeakPolarHBondContact CA-O 3.48Å; A545-F730 HydrophobicContact CB-CD1 4.45Å; A545-F730 HydrophobicContact CB-CE1 3.81Å; A545-F730 HydrophobicContact CB-CE2 3.99Å; A545-F730 HydrophobicContact CB-CZ 3.56Å; L546-F730 PolarHBondContact N-O 3.44Å; I700-F730 HydrophobicContact CB-CB 4.07Å; I700-F730 CarbonylContact O-C 3.56Å; I700-F730 WeakPolarHBondContact O-CA 3.38Å; I700-F730 WeakPolarHBondContact O-CB 3.46Å; P703-F730 HydrophobicContact CG-CB 4.31Å; P703-F730 HydrophobicContact CG-CD2 3.63Å; P703-F730 HydrophobicContact CG-CE2 4.22Å; P703-F730 HydrophobicContact CG-CG 4.2Å; F730-T732 HydrophobicContact CD2-CG2 4.36Å; F730-T732 HydrophobicContact CE2-CG2 3.75Å; F730-E737 HydrophobicContact CE2-CG 4.07Å; F730-L741 HydrophobicContact CE1-CB 3.81Å; F730-L741 HydrophobicContact CE1-CD1 4.2Å; F730-L741 HydrophobicContact CE2-CD1 4.23Å; F730-L741 HydrophobicContact CZ-CB 3.72Å; F730-L741 HydrophobicContact CZ-CD1 3.82Å; F730-L741 HydrophobicContact CZ-CG 4.4Å; F730-A742 HydrophobicContact CE1-CB 4.2Å; F730-A742 HydrophobicContact CZ-CB 4.44Å
731	S	93.9	Very high	88.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	146.2	168.5	70.2	0	0	0	0	110.2	L546 I700 D701 E702 P703	L546-S731 WeakPolarHBondContact O-CA 3.49Å; I700-S731 PolarHBondContact O-N 3.39Å; D701-S731 VanDerWaalsContact CA-OG 3.3Å; D701-S731 WeakPolarHBondContact CA-OG 3.4Å; D701-S731 PolarHBondContact OD1-OG 3.07Å; E702-S731 WeakPolarHBondContact CA-O 3.46Å; E702-S731 PolarHBondContact N-O 3.2Å; E702-S731 VanDerWaalsContact N-O 3.12Å; E702-S731 PolarHBondContact N-OG 3.49Å; P703-S731 WeakPolarHBondContact CD-O 3.47Å
732	T	92.1	Very high	88.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	156.3	167.1	-171.2	0	0	0	0	111.9	L546 I547 K554 E702 F730 Y734 E737 A738	L546-T732 PolarHBondContact O-N 2.91Å; I547-T732 HydrophobicContact CG1-CG2 4.4Å; K554-T732 PolarHBondContact NZ-O 3.36Å; E702-T732 WeakPolarHBondContact OE2-CA 3.35Å; F730-T732 HydrophobicContact CD2-CG2 4.36Å; F730-T732 HydrophobicContact CE2-CG2 3.75Å; T732-Y734 VanDerWaalsContact CG2-O 3.26Å; T732-Y734 WeakPolarHBondContact CG2-O 3.28Å; T732-Y734 WeakPolarHBondContact OG1-CB 3.38Å; T732-Y734 PolarHBondContact OG1-N 3.12Å; T732-E737 WeakPolarHBondContact CB-OE2 3.4Å; T732-E737 PolarHBondContact OG1-OE2 3.34Å; T732-A738 HydrophobicContact CG2-CB 3.96Å
733	Q	88.8	Confident	88.4	Confident	66 Å²	66	44.5 Å²	44.5	31%	0.308	21%	0.207	S	C	.	.	S	Bend	trans	-99.4	-1	163.4	66.7	-177.5	-13.8	0	0	112.7	N550 E702	N550-Q733 PolarHBondContact ND2-OE1 3.25Å; E702-Q733 PolarHBondContact OE1-N 3.42Å; E702-Q733 PolarHBondContact OE2-N 3.33Å; E702-Q733 VanDerWaalsContact OE2-N 3.13Å
734	Y	87.5	Confident	88.7	Confident	65 Å²	65	42.2 Å²	42.2	26%	0.255	20%	0.197	S	C	.	.			trans	-104.5	114.4	-175.1	-62	-61.1	0	0	0	110.1	R712 T732 D736 E737 A738	R712-Y734 PolarHBondContact NH2-OH 3.22Å; T732-Y734 VanDerWaalsContact CG2-O 3.26Å; T732-Y734 WeakPolarHBondContact CG2-O 3.28Å; T732-Y734 WeakPolarHBondContact OG1-CB 3.38Å; T732-Y734 PolarHBondContact OG1-N 3.12Å; Y734-D736 WeakPolarHBondContact CB-OD1 3.46Å; Y734-E737 PolarHBondContact O-N 3.32Å; Y734-A738 PolarHBondContact O-N 3.05Å
735	L	87.2	Confident	89.4	Confident	28 Å²	28	33.5 Å²	33.5	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-70.1	-37.1	-177	-61.9	177.7	0	0	0	111.6	I547 E737 A738 E739 L851 E852 Y855	I547-L735 HydrophobicContact CD1-CD2 3.95Å; I547-L735 HydrophobicContact CG2-CD2 3.44Å; I547-L735 VanDerWaalsContact CG2-CD2 3.44Å; L735-E737 VanDerWaalsContact C-N 3.3Å; L735-E737 PolarHBondContact O-N 3.41Å; L735-A738 PolarHBondContact O-N 3Å; L735-E739 WeakPolarHBondContact O-CB 3.33Å; L735-E739 PolarHBondContact O-N 2.95Å; L735-L851 HydrophobicContact CB-CD2 4.25Å; L735-L851 HydrophobicContact CD2-CD2 4.24Å; L735-L851 HydrophobicContact CD2-CG 4.36Å; L735-E852 HydrophobicContact CD1-CB 4.15Å; L735-E852 HydrophobicContact CD1-CG 3.8Å; L735-Y855 HydrophobicContact CD1-CD1 4.46Å; L735-Y855 HydrophobicContact CD1-CG 4.43Å; L735-Y855 HydrophobicContact CD2-CD2 4.31Å; L735-Y855 HydrophobicContact CD2-CG 4.22Å
736	D	86.8	Confident	90	Very high	75 Å²	75	24.5 Å²	24.5	40%	0.401	12%	0.12	S	C	.	.	H	α-helix	trans	-58.2	-39.2	172.5	56.6	-49	0	0	0	112.5	R712 Y734 I740	R712-D736 IonicContact NH1-OD2 3.62Å; Y734-D736 WeakPolarHBondContact CB-OD1 3.46Å; D736-I740 WeakPolarHBondContact O-CB 3.28Å; D736-I740 WeakPolarHBondContact O-CD1 3.27Å; D736-I740 WeakPolarHBondContact O-CG1 3.38Å; D736-I740 PolarHBondContact O-N 3.21Å; D736-I740 VanDerWaalsContact O-N 3.16Å
737	E	88.2	Confident	90.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70	-39.2	176.9	178.3	167.2	-115.6	0	0	112.4	T704 W716 F730 T732 Y734 L735 L741	T704-E737 VanDerWaalsContact CB-OE1 3.3Å; T704-E737 WeakPolarHBondContact CB-OE1 3.21Å; T704-E737 WeakPolarHBondContact CG2-OE1 3.41Å; T704-E737 VanDerWaalsContact OG1-CD 3.27Å; T704-E737 PolarHBondContact OG1-OE1 3.36Å; T704-E737 PolarHBondContact OG1-OE2 2.94Å; W716-E737 HydrophobicContact CZ2-CB 4.04Å; W716-E737 HydrophobicContact CZ2-CG 4.25Å; W716-E737 PolarHBondContact NE1-OE1 3.32Å; F730-E737 HydrophobicContact CE2-CG 4.07Å; T732-E737 WeakPolarHBondContact CB-OE2 3.4Å; T732-E737 PolarHBondContact OG1-OE2 3.34Å; Y734-E737 PolarHBondContact O-N 3.32Å; L735-E737 VanDerWaalsContact C-N 3.3Å; L735-E737 PolarHBondContact O-N 3.41Å; E737-L741 HydrophobicContact CG-CD1 3.78Å; E737-L741 WeakPolarHBondContact O-CB 3.43Å; E737-L741 WeakPolarHBondContact O-CG 3.44Å; E737-L741 PolarHBondContact O-N 2.97Å; E737-L741 VanDerWaalsContact O-N 3.11Å
738	A	90.1	Very high	90.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.7	-44.7	176.4	0	0	0	0	0	112.1	A545 I547 T732 Y734 L735 I740 L741 A742 I745 L851	A545-A738 HydrophobicContact CB-CB 3.71Å; I547-A738 HydrophobicContact CD1-CB 3.34Å; I547-A738 HydrophobicContact CG1-CB 3.83Å; T732-A738 HydrophobicContact CG2-CB 3.96Å; Y734-A738 PolarHBondContact O-N 3.05Å; L735-A738 PolarHBondContact O-N 3Å; A738-I740 VanDerWaalsContact C-N 3.31Å; A738-I740 PolarHBondContact O-N 3.41Å; A738-L741 PolarHBondContact O-N 3.05Å; A738-A742 WeakPolarHBondContact O-CB 3.44Å; A738-A742 PolarHBondContact O-N 3.04Å; A738-I745 HydrophobicContact CB-CD1 4.31Å; A738-L851 HydrophobicContact CB-CD2 4.19Å
739	E	87	Confident	89.9	Confident	100 Å²	100	24.9 Å²	24.9	47%	0.467	13%	0.126	S	C	.	.	H	α-helix	trans	-63.2	-34.4	179.3	-174	173.1	-167.6	0	0	112.8	L735 L851	L735-E739 WeakPolarHBondContact O-CB 3.33Å; L735-E739 PolarHBondContact O-N 2.95Å; E739-L851 HydrophobicContact CB-CD2 4.25Å
740	I	88.1	Confident	89.4	Confident	83 Å²	83	27.4 Å²	27.4	43%	0.426	15%	0.151	S	C	.	.	H	α-helix	trans	-79.2	-41.2	178.6	-69.4	168.9	0	0	0	112.3	W716 F720 D736 A738	W716-I740 HydrophobicContact CE3-CD1 4.32Å; W716-I740 HydrophobicContact CE3-CG2 4.1Å; W716-I740 HydrophobicContact CH2-CD1 3.79Å; W716-I740 HydrophobicContact CZ3-CD1 3.52Å; W716-I740 HydrophobicContact CZ3-CG2 4.36Å; F720-I740 HydrophobicContact CE2-CG2 4.36Å; F720-I740 HydrophobicContact CZ-CG2 4.12Å; F720-I740 VanDerWaalsContact CZ-O 3.3Å; F720-I740 WeakPolarHBondContact CZ-O 3.38Å; D736-I740 WeakPolarHBondContact O-CB 3.28Å; D736-I740 WeakPolarHBondContact O-CD1 3.27Å; D736-I740 WeakPolarHBondContact O-CG1 3.38Å; D736-I740 PolarHBondContact O-N 3.21Å; D736-I740 VanDerWaalsContact O-N 3.16Å; A738-I740 VanDerWaalsContact C-N 3.31Å; A738-I740 PolarHBondContact O-N 3.41Å
741	L	88.6	Confident	88.9	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-93.4	-31.1	-169.7	-68.8	178.4	0	0	0	115.1	V543 W716 I719 F720 F730 E737 A738	V543-L741 WeakPolarHBondContact CG1-O 3.47Å; W716-L741 HydrophobicContact CB-CD2 3.75Å; W716-L741 HydrophobicContact CG-CD1 4.32Å; W716-L741 HydrophobicContact CG-CD2 3.94Å; W716-L741 HydrophobicContact CG-CG 4.31Å; I719-L741 HydrophobicContact CB-CD2 4.28Å; I719-L741 HydrophobicContact CD1-CD1 3.83Å; I719-L741 HydrophobicContact CG2-CD2 4.18Å; F720-L741 HydrophobicContact CD2-CD2 4.31Å; F720-L741 HydrophobicContact CE1-CD2 4.39Å; F720-L741 HydrophobicContact CE2-CD2 3.88Å; F720-L741 HydrophobicContact CZ-CD2 3.93Å; F730-L741 HydrophobicContact CE1-CB 3.81Å; F730-L741 HydrophobicContact CE1-CD1 4.2Å; F730-L741 HydrophobicContact CE2-CD1 4.23Å; F730-L741 HydrophobicContact CZ-CB 3.72Å; F730-L741 HydrophobicContact CZ-CD1 3.82Å; F730-L741 HydrophobicContact CZ-CG 4.4Å; E737-L741 HydrophobicContact CG-CD1 3.78Å; E737-L741 WeakPolarHBondContact O-CB 3.43Å; E737-L741 WeakPolarHBondContact O-CG 3.44Å; E737-L741 PolarHBondContact O-N 2.97Å; E737-L741 VanDerWaalsContact O-N 3.11Å; A738-L741 PolarHBondContact O-N 3.05Å
742	A	89.1	Confident	88.5	Confident	10 Å²	10	30.1 Å²	30.1	8%	0.083	17%	0.165	C	C	.	.			trans	-98.7	138.3	-162.1	0	0	0	0	0	113.2	V543 A545 F730 A738 R744 I745	V543-A742 CarbonylContact O-C 3.58Å; V543-A742 WeakPolarHBondContact O-CA 3.35Å; A545-A742 HydrophobicContact CB-CB 3.57Å; F730-A742 HydrophobicContact CE1-CB 4.2Å; F730-A742 HydrophobicContact CZ-CB 4.44Å; A738-A742 WeakPolarHBondContact O-CB 3.44Å; A738-A742 PolarHBondContact O-N 3.04Å; A742-R744 WeakPolarHBondContact CB-O 3.29Å; A742-I745 HydrophobicContact CB-CG1 4.18Å
743	D	89.7	Confident	88.3	Confident	55 Å²	55	30.4 Å²	30.4	29%	0.294	17%	0.166	S	C	.	.	S	Bend	trans	-78.2	-38	166.7	-57.7	-72.1	0	0	0	110.6	E542 V543 K723 S758	E542-D743 HydrophobicContact CB-CB 4.38Å; V543-D743 PolarHBondContact N-OD2 3.4Å; V543-D743 PolarHBondContact O-N 3.3Å; K723-D743 WeakPolarHBondContact CE-OD2 3.5Å; K723-D743 IonicContact NZ-OD1 3.61Å; K723-D743 PolarHBondContact NZ-OD1 2.84Å; K723-D743 IonicContact NZ-OD2 2.76Å; K723-D743 PolarHBondContact NZ-OD2 3.02Å; D743-S758 WeakPolarHBondContact O-CA 3.33Å
744	R	90.7	Very high	88.2	Confident	6 Å²	6	30.4 Å²	30.4	2%	0.023	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.1	178.3	-65.8	-172	70.9	136.5	-4	111.9	E504 Y539 E542 V543 T544 A545 A742 G757	E504-R744 PolarHBondContact O-NH1 3.45Å; E504-R744 PolarHBondContact O-NH2 3.44Å; Y539-R744 VanDerWaalsContact CE2-CZ 3.45Å; E542-R744 WeakPolarHBondContact OE2-CD 3.44Å; V543-R744 PolarHBondContact O-N 3.43Å; V543-R744 VanDerWaalsContact O-N 3.14Å; T544-R744 CarbonylContact C-O 3.51Å; T544-R744 VanDerWaalsContact CA-O 3.29Å; T544-R744 WeakPolarHBondContact CA-O 3.46Å; T544-R744 HydrophobicContact CG2-CB 4.3Å; A545-R744 PolarHBondContact N-O 2.98Å; A742-R744 WeakPolarHBondContact CB-O 3.29Å; R744-G757 CarbonylContact C-O 3.6Å; R744-G757 WeakPolarHBondContact CA-O 3.24Å
745	I	91.2	Very high	88.1	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.2	-179	-65.4	179.4	0	0	0	108.9	A545 I547 A738 A742 I747 S756 G757 T759 L762 L851	A545-I745 HydrophobicContact CB-CG1 4.42Å; I547-I745 HydrophobicContact CD1-CD1 4.31Å; I547-I745 HydrophobicContact CD1-CG2 3.35Å; I547-I745 HydrophobicContact CG1-CG2 3.96Å; A738-I745 HydrophobicContact CB-CD1 4.31Å; A742-I745 HydrophobicContact CB-CG1 4.18Å; I745-I747 HydrophobicContact CG2-CG1 4.06Å; I745-S756 VanDerWaalsContact O-CA 3.3Å; I745-S756 WeakPolarHBondContact O-CA 3.4Å; I745-G757 PolarHBondContact N-O 3.02Å; I745-G757 PolarHBondContact O-N 2.81Å; I745-G757 VanDerWaalsContact O-N 3.11Å; I745-T759 HydrophobicContact CD1-CG2 3.54Å; I745-T759 HydrophobicContact CG1-CG2 4.3Å; I745-L762 HydrophobicContact CB-CD1 3.77Å; I745-L762 HydrophobicContact CG2-CD1 3.99Å; I745-L851 HydrophobicContact CD1-CD1 3.67Å; I745-L851 HydrophobicContact CD1-CD2 3.55Å; I745-L851 HydrophobicContact CD1-CG 4.26Å; I745-L851 HydrophobicContact CG2-CD1 4.23Å
746	A	91.6	Very high	88.1	Confident	2 Å²	2	27 Å²	27	2%	0.017	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.2	178.8	0	0	0	0	0	108.8	T544 A545 L546 I547 L753 C755	T544-A746 HydrophobicContact CG2-CB 4.43Å; A545-A746 PolarHBondContact O-N 3.17Å; L546-A746 CarbonylContact C-O 3.59Å; L546-A746 WeakPolarHBondContact CA-O 3.23Å; L546-A746 HydrophobicContact CD1-CB 4.07Å; I547-A746 PolarHBondContact N-O 3.39Å; A746-L753 HydrophobicContact CB-CD1 3.85Å; A746-C755 WeakPolarHBondContact CA-O 3.44Å
747	I	91.1	Very high	88	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.4	-176.7	-59	-176	0	0	0	109.9	I547 I745 K754 C755 V854 Y855 T859	I547-I747 HydrophobicContact CB-CG1 4.44Å; I547-I747 CarbonylContact O-C 3.51Å; I547-I747 WeakPolarHBondContact O-CA 3.11Å; I745-I747 HydrophobicContact CG2-CG1 4.06Å; I747-K754 PolarHBondContact O-N 3.07Å; I747-C755 PolarHBondContact N-O 3.4Å; I747-V854 HydrophobicContact CD1-CG1 3.78Å; I747-Y855 HydrophobicContact CD1-CD2 4.35Å; I747-Y855 HydrophobicContact CG2-CD2 3.85Å; I747-Y855 HydrophobicContact CG2-CE2 4.16Å; I747-T859 HydrophobicContact CG2-CG2 4.29Å
748	I	90.3	Very high	87.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.3	178.1	-171.4	175.3	0	0	0	111.7	L531 L546 I547 G548 S552 K554 L557 E752	L531-I748 HydrophobicContact CD2-CD1 3.75Å; L546-I748 HydrophobicContact CD1-CB 4.15Å; L546-I748 HydrophobicContact CD1-CG2 3.89Å; L546-I748 HydrophobicContact CG-CG2 4.09Å; I547-I748 WeakPolarHBondContact O-CG2 3.45Å; I547-I748 PolarHBondContact O-N 3.39Å; G548-I748 WeakPolarHBondContact CA-O 3.5Å; S552-I748 WeakPolarHBondContact CB-O 3.36Å; K554-I748 HydrophobicContact CG-CG2 3.63Å; L557-I748 HydrophobicContact CD2-CD1 4.41Å; I748-E752 WeakPolarHBondContact CA-O 3.37Å; I748-E752 WeakPolarHBondContact CG1-O 3.5Å
749	S	87.9	Confident	87.4	Confident	30 Å²	30	27.3 Å²	27.3	21%	0.21	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	135.5	178.4	-171	0	0	0	0	111.6	G751 E752	S749-G751 PolarHBondContact O-N 3.1Å; S749-E752 PolarHBondContact N-O 3.17Å; S749-E752 PolarHBondContact O-N 3.27Å; S749-E752 VanDerWaalsContact O-O 3.1Å
750	G	83.2	Confident	86.8	Confident	52 Å²	52	24.6 Å²	24.6	54%	0.536	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	15.6	179.2	0	0	0	0	0	115.7	K532	K532-G750 WeakPolarHBondContact CE-O 3.49Å
751	G	83.8	Confident	86.4	Confident	2 Å²	2	23.6 Å²	23.6	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	1.8	-172.4	0	0	0	0	0	114.6	A530 L531 K532 V534 S552 S749	A530-G751 WeakPolarHBondContact O-CA 3.48Å; L531-G751 CarbonylContact C-O 3.54Å; L531-G751 WeakPolarHBondContact CA-O 3.38Å; K532-G751 PolarHBondContact N-O 3.18Å; V534-G751 VanDerWaalsContact CG2-O 3.3Å; V534-G751 WeakPolarHBondContact CG2-O 3.3Å; S552-G751 VanDerWaalsContact O-CA 3.3Å; S552-G751 WeakPolarHBondContact O-CA 3.26Å; S552-G751 PolarHBondContact O-N 3.15Å; S749-G751 PolarHBondContact O-N 3.1Å
752	E	85.7	Confident	86	Confident	56 Å²	56	23.6 Å²	23.6	26%	0.262	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.2	-179.4	-65.9	154.5	-152.4	0	0	109.7	K532 I748 S749 K754	K532-E752 HydrophobicContact CB-CG 3.96Å; K532-E752 HydrophobicContact CD-CG 4.07Å; K532-E752 WeakPolarHBondContact CD-OE1 3.36Å; K532-E752 WeakPolarHBondContact CE-OE1 3.42Å; K532-E752 HydrophobicContact CG-CG 4.21Å; K532-E752 IonicContact NZ-OE1 3.75Å; K532-E752 PolarHBondContact NZ-OE1 2.86Å; I748-E752 WeakPolarHBondContact CA-O 3.37Å; I748-E752 WeakPolarHBondContact CG1-O 3.5Å; S749-E752 PolarHBondContact N-O 3.17Å; S749-E752 PolarHBondContact O-N 3.27Å; S749-E752 VanDerWaalsContact O-O 3.1Å; E752-K754 IonicContact OE2-NZ 2.64Å; E752-K754 PolarHBondContact OE2-NZ 3.31Å
753	L	88.3	Confident	85.3	Confident	6 Å²	6	25.6 Å²	25.6	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.6	166.6	-174.4	70.9	0	0	0	108.5	L501 V534 S535 A536 A746	L501-L753 WeakPolarHBondContact CD1-O 3.41Å; L501-L753 WeakPolarHBondContact CD2-O 3.2Å; V534-L753 HydrophobicContact CG1-CB 4.24Å; S535-L753 WeakPolarHBondContact O-CD2 3.38Å; A536-L753 HydrophobicContact CB-CD2 4.22Å; A746-L753 HydrophobicContact CB-CD1 3.85Å
754	K	86.5	Confident	84.2	Confident	66 Å²	66	26 Å²	26	29%	0.287	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-47.5	-177.6	-63.2	-58.9	178.8	-172.8	0	112.2	I747 E752 E858	I747-K754 PolarHBondContact O-N 3.07Å; E752-K754 IonicContact OE2-NZ 2.64Å; E752-K754 PolarHBondContact OE2-NZ 3.31Å; K754-E858 HydrophobicContact CB-CB 4.16Å
755	C	85.2	Confident	83.2	Confident	15 Å²	15	30.2 Å²	30.2	10%	0.101	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	156.2	175.2	61.1	0	0	0	0	110.8	A746 I747 L762	A746-C755 WeakPolarHBondContact CA-O 3.44Å; I747-C755 PolarHBondContact N-O 3.4Å; C755-L762 HydrophobicContact CB-CD2 3.85Å
756	S	86.4	Confident	81.8	Confident	7 Å²	7	31.3 Å²	31.3	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	132.2	171.8	179.4	0	0	0	0	110.3	I745	I745-S756 VanDerWaalsContact O-CA 3.3Å; I745-S756 WeakPolarHBondContact O-CA 3.4Å
757	G	85.2	Confident	80.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-179	-179.7	0	0	0	0	0	112.4	E504 R744 I745	E504-G757 WeakPolarHBondContact OE2-CA 3.47Å; R744-G757 CarbonylContact C-O 3.6Å; R744-G757 WeakPolarHBondContact CA-O 3.24Å; I745-G757 PolarHBondContact N-O 3.02Å; I745-G757 PolarHBondContact O-N 2.81Å; I745-G757 VanDerWaalsContact O-N 3.11Å
758	S	85.3	Confident	78.3	Confident	37 Å²	37	40.4 Å²	40.4	26%	0.259	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	158.2	171	63.8	0	0	0	0	112.2	E504 D743 G760 F761 L762	E504-S758 PolarHBondContact OE2-N 2.86Å; D743-S758 WeakPolarHBondContact O-CA 3.33Å; S758-G760 VanDerWaalsContact C-N 3.31Å; S758-G760 PolarHBondContact O-N 3.15Å; S758-F761 PolarHBondContact O-N 2.94Å; S758-F761 WeakPolarHBondContact OG-CB 3.37Å; S758-F761 PolarHBondContact OG-N 2.95Å; S758-L762 WeakPolarHBondContact O-CG 3.25Å; S758-L762 PolarHBondContact O-N 3.21Å
759	T	80.2	Confident	76.9	Confident	43 Å²	43	40.5 Å²	40.5	26%	0.264	25%	0.245	S	C	.	.	H	α-helix	trans	-52.3	-49.1	175.4	43.6	0	0	0	0	111.8	I745 L762 M763	I745-T759 HydrophobicContact CD1-CG2 3.54Å; I745-T759 HydrophobicContact CG1-CG2 4.3Å; T759-L762 PolarHBondContact O-N 3.14Å; T759-M763 WeakPolarHBondContact O-CB 3.31Å; T759-M763 VanDerWaalsContact O-CG 3.29Å; T759-M763 WeakPolarHBondContact O-CG 3.01Å; T759-M763 PolarHBondContact O-N 3.09Å
760	G	74.8	Confident	76	Confident	43 Å²	43	40.2 Å²	40.2	44%	0.443	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-42.4	176.9	0	0	0	0	0	113.5	S758 A764	S758-G760 VanDerWaalsContact C-N 3.31Å; S758-G760 PolarHBondContact O-N 3.15Å; G760-A764 VanDerWaalsContact O-CB 3.23Å; G760-A764 WeakPolarHBondContact O-CB 3.49Å; G760-A764 PolarHBondContact O-N 2.8Å
761	F	80.3	Confident	75.7	Confident	63 Å²	63	38.1 Å²	38.1	28%	0.276	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-43.8	176.1	174.9	-92.7	0	0	0	112.2	E504 S758 N765	E504-F761 HydrophobicContact CB-CD1 4.17Å; E504-F761 HydrophobicContact CB-CD2 4.24Å; E504-F761 HydrophobicContact CB-CE1 3.81Å; E504-F761 HydrophobicContact CB-CE2 3.89Å; E504-F761 HydrophobicContact CB-CG 4.36Å; E504-F761 HydrophobicContact CB-CZ 3.65Å; E504-F761 VanDerWaalsContact CD-CD2 3.4Å; E504-F761 VanDerWaalsContact CD-CG 3.48Å; E504-F761 HydrophobicContact CG-CD2 3.94Å; E504-F761 HydrophobicContact CG-CE2 3.87Å; E504-F761 HydrophobicContact CG-CG 4.3Å; E504-F761 HydrophobicContact CG-CZ 4.18Å; E504-F761 VanDerWaalsContact OE1-CD2 3.25Å; E504-F761 WeakPolarHBondContact OE1-CD2 3.29Å; E504-F761 WeakPolarHBondContact OE2-CB 3.22Å; E504-F761 WeakPolarHBondContact OE2-CG 3.4Å; S758-F761 PolarHBondContact O-N 2.94Å; S758-F761 WeakPolarHBondContact OG-CB 3.37Å; S758-F761 PolarHBondContact OG-N 2.95Å; F761-N765 WeakPolarHBondContact CD1-ND2 3.46Å; F761-N765 WeakPolarHBondContact CD2-ND2 3.41Å; F761-N765 WeakPolarHBondContact CE1-ND2 3.28Å; F761-N765 WeakPolarHBondContact CE2-ND2 3.43Å; F761-N765 WeakPolarHBondContact CZ-ND2 3.3Å; F761-N765 VanDerWaalsContact O-CB 3.28Å; F761-N765 WeakPolarHBondContact O-CB 3.4Å; F761-N765 PolarHBondContact O-N 2.87Å; F761-N765 PolarHBondContact O-ND2 2.99Å
762	L	79.3	Confident	75.7	Confident	3 Å²	3	38 Å²	38	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-44.4	178.7	-67.8	178.1	0	0	0	111.8	I745 C755 S758 T759 N765 N766 V854	I745-L762 HydrophobicContact CB-CD1 3.77Å; I745-L762 HydrophobicContact CG2-CD1 3.99Å; C755-L762 HydrophobicContact CB-CD2 3.85Å; S758-L762 WeakPolarHBondContact O-CG 3.25Å; S758-L762 PolarHBondContact O-N 3.21Å; T759-L762 PolarHBondContact O-N 3.14Å; L762-N765 PolarHBondContact O-N 2.97Å; L762-N766 VanDerWaalsContact O-CB 3.28Å; L762-N766 WeakPolarHBondContact O-CB 3.44Å; L762-N766 PolarHBondContact O-N 3.49Å; L762-N766 PolarHBondContact O-OD1 3.39Å; L762-V854 HydrophobicContact CB-CG1 4.06Å
763	M	74	Confident	75.7	Confident	51 Å²	51	36.7 Å²	36.7	25%	0.251	21%	0.214	S	C	.	.	H	α-helix	trans	-62.4	-43.1	176.3	-71.1	168.9	177.1	0	0	111.8	T759 L851 V854	T759-M763 WeakPolarHBondContact O-CB 3.31Å; T759-M763 VanDerWaalsContact O-CG 3.29Å; T759-M763 WeakPolarHBondContact O-CG 3.01Å; T759-M763 PolarHBondContact O-N 3.09Å; M763-L851 HydrophobicContact CE-CB 4.47Å; M763-V854 HydrophobicContact CG-CG2 4.32Å
764	A	68.2	Low	75.7	Confident	64 Å²	64	36.5 Å²	36.5	53%	0.529	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-44.6	177.5	0	0	0	0	0	112.7	G760	G760-A764 VanDerWaalsContact O-CB 3.23Å; G760-A764 WeakPolarHBondContact O-CB 3.49Å; G760-A764 PolarHBondContact O-N 2.8Å
765	N	68.6	Low	75.6	Confident	94 Å²	94	35.2 Å²	35.2	50%	0.503	21%	0.21	S	C	.	.	H	α-helix	trans	-75	-29.9	-176.5	-78.5	-31.6	0	0	0	114.1	F761 L762 K767	F761-N765 WeakPolarHBondContact CD1-ND2 3.46Å; F761-N765 WeakPolarHBondContact CD2-ND2 3.41Å; F761-N765 WeakPolarHBondContact CE1-ND2 3.28Å; F761-N765 WeakPolarHBondContact CE2-ND2 3.43Å; F761-N765 WeakPolarHBondContact CZ-ND2 3.3Å; F761-N765 VanDerWaalsContact O-CB 3.28Å; F761-N765 WeakPolarHBondContact O-CB 3.4Å; F761-N765 PolarHBondContact O-N 2.87Å; F761-N765 PolarHBondContact O-ND2 2.99Å; L762-N765 PolarHBondContact O-N 2.97Å; N765-K767 PolarHBondContact O-N 3.2Å
766	N	62.7	Low	75.5	Confident	23 Å²	23	36.3 Å²	36.3	12%	0.123	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	35.7	-174.9	-83.3	43.1	0	0	0	113.9	L762 G768 V854 E858	L762-N766 VanDerWaalsContact O-CB 3.28Å; L762-N766 WeakPolarHBondContact O-CB 3.44Å; L762-N766 PolarHBondContact O-N 3.49Å; L762-N766 PolarHBondContact O-OD1 3.39Å; N766-G768 PolarHBondContact O-N 3.21Å; N766-G768 VanDerWaalsContact O-N 3.11Å; N766-V854 HydrophobicContact CB-CG2 4.2Å; N766-E858 WeakPolarHBondContact ND2-CG 3.44Å; N766-E858 PolarHBondContact ND2-OE1 3.11Å
767	K	54.3	Low	75.1	Confident	172 Å²	172	39.6 Å²	39.6	75%	0.748	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	40.1	48.9	-173.5	-65.3	-171.8	176.1	-170.6	0	110.2	N765 G769	N765-K767 PolarHBondContact O-N 3.2Å; K767-G769 PolarHBondContact O-N 2.93Å
768	G	53.3	Low	74.3	Confident	22 Å²	22	45.2 Å²	45.2	23%	0.227	26%	0.263	C	S	.	.			trans	-68.5	69.6	-162	0	0	0	0	0	112.8	N766 I819	N766-G768 PolarHBondContact O-N 3.21Å; N766-G768 VanDerWaalsContact O-N 3.11Å; G768-I819 WeakPolarHBondContact O-CD1 3.28Å; G768-I819 WeakPolarHBondContact O-CG1 3.42Å
769	G	61.2	Low	73	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.01	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-58.8	142.7	-173.1	0	0	0	0	0	111.8	K767 F771 L817	K767-G769 PolarHBondContact O-N 2.93Å; G769-F771 VanDerWaalsContact O-CD2 3.29Å; G769-F771 WeakPolarHBondContact O-CD2 3.43Å; G769-F771 WeakPolarHBondContact O-CE2 3.24Å; G769-F771 PolarHBondContact O-N 3.38Å; G769-L817 CarbonylContact C-O 3.54Å; G769-L817 VanDerWaalsContact C-O 3.24Å; G769-L817 WeakPolarHBondContact CA-O 3.46Å
770	C	69.4	Low	71.5	Confident	24 Å²	24	58.2 Å²	58.2	16%	0.162	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.5	170.4	-164.5	0	0	0	0	108.4	L817 F846 S847	C770-L817 PolarHBondContact N-O 3.47Å; C770-L817 WeakPolarHBondContact O-CB 3.38Å; C770-L817 PolarHBondContact O-N 3.45Å; C770-F846 VanDerWaalsContact SG-CD1 3.6Å; C770-S847 PolarHBondContact SG-O 3.4Å
771	F	78.1	Confident	69.9	Low	8 Å²	8	60.8 Å²	60.8	4%	0.035	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.9	177.3	-67.2	-97.5	0	0	0	108.8	G769 V806 E814 F815 K816 F846 S847 D853	G769-F771 VanDerWaalsContact O-CD2 3.29Å; G769-F771 WeakPolarHBondContact O-CD2 3.43Å; G769-F771 WeakPolarHBondContact O-CE2 3.24Å; G769-F771 PolarHBondContact O-N 3.38Å; F771-V806 HydrophobicContact CD1-CG2 3.94Å; F771-V806 HydrophobicContact CE1-CB 4.5Å; F771-V806 HydrophobicContact CE1-CG1 4.19Å; F771-V806 HydrophobicContact CE1-CG2 3.72Å; F771-E814 HydrophobicContact CB-CG 4.38Å; F771-E814 HydrophobicContact CD1-CG 4.02Å; F771-F815 CarbonylContact C-O 3.51Å; F771-F815 VanDerWaalsContact CA-O 3.28Å; F771-F815 WeakPolarHBondContact CA-O 3.37Å; F771-K816 HydrophobicContact CD1-CB 4.34Å; F771-K816 HydrophobicContact CE1-CB 4.18Å; F771-K816 HydrophobicContact CE1-CD 4.4Å; F771-K816 HydrophobicContact CE1-CG 4.43Å; F771-K816 HydrophobicContact CZ-CD 4.3Å; F771-K816 HydrophobicContact CZ-CG 4.47Å; F771-F846 CarbonylContact O-C 3.58Å; F771-F846 VanDerWaalsContact O-CA 3.3Å; F771-F846 WeakPolarHBondContact O-CA 3.47Å; F771-S847 PolarHBondContact N-O 3.49Å; F771-S847 PolarHBondContact O-N 2.91Å; F771-D853 WeakPolarHBondContact CE2-OD2 3.39Å; F771-D853 HydrophobicContact CZ-CB 4.38Å; F771-D853 VanDerWaalsContact CZ-OD1 3.3Å; F771-D853 WeakPolarHBondContact CZ-OD1 3.27Å
772	L	83.1	Confident	68	Low	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	108	177.1	173.1	56.7	0	0	0	109.1	F774 L796 F815 L817 L828 I832 Y844 F846	L772-F774 HydrophobicContact CD1-CE2 4.1Å; L772-F774 HydrophobicContact CD1-CZ 4.31Å; L772-F774 HydrophobicContact CD2-CE2 3.51Å; L772-F774 HydrophobicContact CD2-CZ 3.83Å; L772-F774 HydrophobicContact CG-CD2 4.1Å; L772-F774 HydrophobicContact CG-CE2 3.52Å; L772-F774 HydrophobicContact CG-CZ 4.11Å; L772-L796 HydrophobicContact CD2-CD2 3.9Å; L772-F815 PolarHBondContact N-O 2.77Å; L772-F815 PolarHBondContact O-N 3.03Å; L772-L817 HydrophobicContact CB-CD1 3.72Å; L772-L817 HydrophobicContact CB-CG 4.31Å; L772-L817 HydrophobicContact CD2-CD1 3.87Å; L772-L817 HydrophobicContact CG-CD1 4.46Å; L772-L828 HydrophobicContact CD2-CD2 4.33Å; L772-I832 HydrophobicContact CD2-CD1 3.69Å; L772-Y844 HydrophobicContact CD1-CD2 3.94Å; L772-Y844 HydrophobicContact CD1-CG 4.39Å; L772-F846 HydrophobicContact CB-CD1 4.2Å; L772-F846 HydrophobicContact CB-CE1 4.03Å; L772-F846 HydrophobicContact CD1-CD1 4.13Å; L772-F846 HydrophobicContact CD1-CD2 4.19Å; L772-F846 HydrophobicContact CD1-CE1 3.85Å; L772-F846 HydrophobicContact CD1-CE2 3.86Å; L772-F846 HydrophobicContact CD1-CG 4.33Å; L772-F846 HydrophobicContact CD1-CZ 3.71Å; L772-F846 HydrophobicContact CD2-CE1 4.17Å; L772-F846 HydrophobicContact CD2-CZ 4.15Å; L772-F846 HydrophobicContact CG-CE1 4.22Å; L772-F846 HydrophobicContact CG-CZ 4.38Å
773	T	86.3	Confident	66.4	Low	28 Å²	28	70.1 Å²	70.1	17%	0.172	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.2	-178.3	-63.9	0	0	0	0	110.7	E812 I813 E814 Y844 G845	T773-E812 HydrophobicContact CG2-CB 4.39Å; T773-I813 CarbonylContact C-O 3.6Å; T773-I813 WeakPolarHBondContact CA-O 3.4Å; T773-E814 WeakPolarHBondContact OG1-CG 3.01Å; T773-Y844 CarbonylContact O-C 3.55Å; T773-Y844 WeakPolarHBondContact O-CA 3.43Å; T773-G845 PolarHBondContact N-O 2.96Å; T773-G845 PolarHBondContact O-N 2.99Å
774	F	86.6	Confident	65.3	Low	2 Å²	2	71.8 Å²	71.8	1%	0.009	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.4	175.1	-74	-87.5	0	0	0	111.4	L772 L792 L796 E812 I813 F815 I832 L836 C841	L772-F774 HydrophobicContact CD1-CE2 4.1Å; L772-F774 HydrophobicContact CD1-CZ 4.31Å; L772-F774 HydrophobicContact CD2-CE2 3.51Å; L772-F774 HydrophobicContact CD2-CZ 3.83Å; L772-F774 HydrophobicContact CG-CD2 4.1Å; L772-F774 HydrophobicContact CG-CE2 3.52Å; L772-F774 HydrophobicContact CG-CZ 4.11Å; F774-L792 HydrophobicContact CD1-CD1 4.02Å; F774-L792 HydrophobicContact CD2-CD1 4.11Å; F774-L792 HydrophobicContact CD2-CD2 4Å; F774-L792 HydrophobicContact CE1-CD1 4.04Å; F774-L792 HydrophobicContact CE2-CD1 4.11Å; F774-L792 HydrophobicContact CE2-CD2 3.83Å; F774-L792 HydrophobicContact CE2-CG 4.4Å; F774-L792 HydrophobicContact CG-CD1 4.05Å; F774-L792 HydrophobicContact CZ-CD1 4.07Å; F774-L792 HydrophobicContact CZ-CD2 4.41Å; F774-L796 HydrophobicContact CE2-CD1 4.25Å; F774-E812 CarbonylContact O-C 3.52Å; F774-E812 VanDerWaalsContact O-CA 3.25Å; F774-E812 WeakPolarHBondContact O-CA 3.44Å; F774-I813 PolarHBondContact N-O 2.95Å; F774-I813 PolarHBondContact O-N 3.49Å; F774-F815 AromaticContact CD2-CD2 3.88Å; F774-F815 HydrophobicContact CD2-CD2 3.88Å; F774-F815 AromaticContact CD2-CE2 3.85Å; F774-F815 HydrophobicContact CD2-CE2 3.85Å; F774-F815 HydrophobicContact CE2-CD2 4.15Å; F774-F815 HydrophobicContact CE2-CE2 4.27Å; F774-I832 HydrophobicContact CE1-CG2 3.86Å; F774-I832 HydrophobicContact CZ-CD1 4Å; F774-I832 HydrophobicContact CZ-CG1 4.26Å; F774-I832 HydrophobicContact CZ-CG2 4.22Å; F774-L836 HydrophobicContact CD1-CD1 4.09Å; F774-L836 HydrophobicContact CE1-CD1 4.09Å; F774-C841 HydrophobicContact CD1-CB 4.1Å
775	V	85.5	Confident	64.7	Low	40 Å²	40	73.2 Å²	73.2	24%	0.242	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114.7	175.2	-173.2	0	0	0	0	109.6	K811 E812 C841 T842 S843	V775-K811 CarbonylContact C-O 3.41Å; V775-E812 HydrophobicContact CB-CG 4.33Å; V775-E812 HydrophobicContact CG1-CG 4.27Å; V775-E812 HydrophobicContact CG2-CG 4.04Å; V775-C841 CarbonylContact O-C 3.5Å; V775-C841 WeakPolarHBondContact O-CA 3.37Å; V775-T842 WeakPolarHBondContact CB-OG1 3.25Å; V775-T842 WeakPolarHBondContact CG1-OG1 3.18Å; V775-T842 PolarHBondContact O-N 2.82Å; V775-T842 PolarHBondContact O-OG1 3.35Å; V775-S843 WeakPolarHBondContact CG2-OG 3.5Å; V775-S843 PolarHBondContact N-O 2.96Å
776	K	83.9	Confident	64.2	Low	38 Å²	38	73 Å²	73	17%	0.165	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	142.1	-179.3	-62	176.8	179.2	174	0	111.6	N808 S809 K811 I813	K776-N808 PolarHBondContact NZ-OD1 3.38Å; K776-S809 VanDerWaalsContact CE-O 3.3Å; K776-S809 WeakPolarHBondContact CE-O 3.26Å; K776-S809 PolarHBondContact NZ-O 3.47Å; K776-K811 WeakPolarHBondContact CB-O 3.12Å; K776-K811 PolarHBondContact N-O 3.1Å; K776-I813 HydrophobicContact CD-CG1 4.35Å; K776-I813 HydrophobicContact CG-CG1 4.28Å
777	K	77.7	Confident	64.2	Low	75 Å²	75	74.3 Å²	74.3	33%	0.326	39%	0.393	S	S	.	.			trans	-62.3	131.5	167.4	-78.4	175.3	173	175.5	0	109.1	Q779 E837 G840 C841 T842	K777-Q779 PolarHBondContact O-N 2.93Å; K777-E837 IonicContact NZ-OE1 3.5Å; K777-E837 PolarHBondContact NZ-OE1 3.26Å; K777-G840 VanDerWaalsContact CB-O 3.27Å; K777-G840 WeakPolarHBondContact CB-O 3.2Å; K777-G840 WeakPolarHBondContact CG-O 3.39Å; K777-G840 PolarHBondContact N-O 3.14Å; K777-C841 WeakPolarHBondContact CE-O 3.38Å; K777-T842 HydrophobicContact CB-CG2 4.15Å; K777-T842 HydrophobicContact CG-CG2 3.43Å; K777-T842 VanDerWaalsContact CG-CG2 3.43Å
778	P	66.6	Low	64.8	Low	119 Å²	119	68.1 Å²	68.1	77%	0.773	37%	0.371	S	S	*	.			trans	-67.7	100.2	179.8	26.7	-33.9	0	0	0	110.3
779	Q	59.7	Low	65.8	Low	104 Å²	104	67.7 Å²	67.7	49%	0.486	36%	0.364	S	S	.	.			trans	-71.2	132.4	-179.3	-63.7	-172.7	1.5	0	0	110.7	K777	K777-Q779 PolarHBondContact O-N 2.93Å
780	R	48.3	Very low	66.6	Low	249 Å²	249	74.3 Å²	74.3	94%	0.94	39%	0.393	S	S	*	.	S	Bend	trans	-98	2	172.9	-74	-174.3	173.5	177.8	-1.3	113.2
781	T	41.7	Very low	67.1	Low	97 Å²	97	79.7 Å²	79.7	60%	0.595	41%	0.413	S	S	*	.	S	Bend	trans	-145.6	149.5	-170.6	46.3	0	0	0	0	111.3	F783	T781-F783 PolarHBondContact O-N 3.07Å
782	S	40.5	Very low	67.3	Low	126 Å²	126	79.4 Å²	79.4	88%	0.881	41%	0.412	S	S	*	.			trans	-73.6	75.6	-170.9	54.3	0	0	0	0	114.1
783	F	44.8	Very low	67.3	Low	136 Å²	136	81.1 Å²	81.1	60%	0.596	42%	0.421	S	S	*	.			trans	-88.6	143.4	161.7	-83.4	-87.6	0	0	0	110.5	T781 E785	T781-F783 PolarHBondContact O-N 3.07Å; F783-E785 PolarHBondContact O-N 3.48Å; F783-E785 VanDerWaalsContact O-N 3.14Å
784	P	50.8	Low	67.1	Low	86 Å²	86	83.2 Å²	83.2	56%	0.558	44%	0.437	S	S	*	.			trans	-69.1	112.8	176.9	27.3	-32.9	0	0	0	110.3	V786 S787	P784-V786 PolarHBondContact O-N 3.19Å; P784-S787 PolarHBondContact O-N 3.22Å; P784-S787 VanDerWaalsContact O-N 3.08Å; P784-S787 PolarHBondContact O-OG 3.17Å
785	E	55.1	Low	67	Low	94 Å²	94	85.7 Å²	85.7	44%	0.439	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-31.7	-177.7	-66.8	-174.5	122.8	0	0	113	F783 S787 H810	F783-E785 PolarHBondContact O-N 3.48Å; F783-E785 VanDerWaalsContact O-N 3.14Å; E785-S787 PolarHBondContact O-N 3.04Å; E785-H810 IonicContact OE1-CE1 3.18Å; E785-H810 IonicContact OE1-CG 2.7Å; E785-H810 IonicContact OE1-ND1 3.59Å; E785-H810 PolarHBondContact OE1-ND1 3.04Å; E785-H810 IonicContact OE2-CE1 2.6Å; E785-H810 IonicContact OE2-ND1 2.74Å
786	V	58.2	Low	66.9	Low	89 Å²	89	83.9 Å²	83.9	54%	0.539	44%	0.435	S	S	.	.	H	α-helix	trans	-56.6	-30.3	-179.1	-172.9	0	0	0	0	113.6	P784 K790	P784-V786 PolarHBondContact O-N 3.19Å; V786-K790 HydrophobicContact CG1-CD 3.97Å; V786-K790 HydrophobicContact CG1-CG 4.42Å; V786-K790 WeakPolarHBondContact O-CB 3.4Å; V786-K790 WeakPolarHBondContact O-CG 3.07Å; V786-K790 PolarHBondContact O-N 3.29Å
787	S	63.1	Low	66.9	Low	51 Å²	51	86.6 Å²	86.6	36%	0.357	45%	0.448	S	S	.	.	H	α-helix	trans	-76.5	-38.1	-173.1	69.5	0	0	0	0	114.2	P784 E785 K791	P784-S787 PolarHBondContact O-N 3.22Å; P784-S787 VanDerWaalsContact O-N 3.08Å; P784-S787 PolarHBondContact O-OG 3.17Å; E785-S787 PolarHBondContact O-N 3.04Å; S787-K791 WeakPolarHBondContact O-CG 3.23Å; S787-K791 PolarHBondContact O-N 3.48Å
788	C	67.5	Low	67.2	Low	42 Å²	42	87.1 Å²	87.1	28%	0.284	46%	0.462	S	S	.	.	H	α-helix	trans	-72.2	-45.1	-179.7	-63.3	0	0	0	0	111.1	K790 K791 L792	C788-K790 PolarHBondContact O-N 3.04Å; C788-K791 PolarHBondContact O-N 2.99Å; C788-L792 PolarHBondContact O-N 3.37Å; C788-L792 VanDerWaalsContact O-N 3.08Å
789	V	73.8	Confident	67.9	Low	13 Å²	13	85.1 Å²	85.1	8%	0.079	44%	0.439	C	S	.	.	H	α-helix	trans	-61.5	-46.3	179.8	-171.1	0	0	0	0	110.5	K791 L792 I793 I813	V789-K791 PolarHBondContact O-N 3.23Å; V789-L792 PolarHBondContact O-N 3.34Å; V789-I793 HydrophobicContact CG1-CD1 3.79Å; V789-I793 HydrophobicContact CG1-CG1 4.32Å; V789-I793 WeakPolarHBondContact O-CD1 3.46Å; V789-I793 VanDerWaalsContact O-CG1 3.24Å; V789-I793 WeakPolarHBondContact O-CG1 3.42Å; V789-I793 PolarHBondContact O-N 2.97Å; V789-I813 HydrophobicContact CG1-CD1 4.49Å; V789-I813 HydrophobicContact CG2-CD1 4Å
790	K	78.3	Confident	68.8	Low	139 Å²	139	80.3 Å²	80.3	60%	0.604	42%	0.417	S	S	*	.	H	α-helix	trans	-60.5	-43.8	178.3	-76.8	-175	177.5	-174.5	0	113.3	V786 C788 L792 I793 S794	V786-K790 HydrophobicContact CG1-CD 3.97Å; V786-K790 HydrophobicContact CG1-CG 4.42Å; V786-K790 WeakPolarHBondContact O-CB 3.4Å; V786-K790 WeakPolarHBondContact O-CG 3.07Å; V786-K790 PolarHBondContact O-N 3.29Å; C788-K790 PolarHBondContact O-N 3.04Å; K790-L792 VanDerWaalsContact C-N 3.35Å; K790-L792 PolarHBondContact O-N 3.43Å; K790-I793 PolarHBondContact O-N 3.05Å; K790-S794 PolarHBondContact O-N 2.71Å; K790-S794 PolarHBondContact O-OG 3.38Å; K790-S794 VanDerWaalsContact O-OG 3.09Å
791	K	79.3	Confident	70	Confident	137 Å²	137	73.1 Å²	73.1	60%	0.596	40%	0.403	S	S	*	.	H	α-helix	trans	-59.9	-45.5	176.1	-76.1	179.9	177.6	-173.6	0	111.7	S787 C788 V789 S794 Y795	S787-K791 WeakPolarHBondContact O-CG 3.23Å; S787-K791 PolarHBondContact O-N 3.48Å; C788-K791 PolarHBondContact O-N 2.99Å; V789-K791 PolarHBondContact O-N 3.23Å; K791-S794 WeakPolarHBondContact CA-OG 3.5Å; K791-S794 PolarHBondContact O-N 3.39Å; K791-S794 PolarHBondContact O-OG 3Å; K791-Y795 WeakPolarHBondContact O-CB 3.34Å; K791-Y795 PolarHBondContact O-N 3.03Å
792	L	82.1	Confident	71.6	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.016	41%	0.405	C	S	.	.	H	α-helix	trans	-70.5	-38.3	-177.8	-170.2	149.2	0	0	0	111.8	F774 C788 V789 K790 Y795 L796 F815 F839	F774-L792 HydrophobicContact CD1-CD1 4.02Å; F774-L792 HydrophobicContact CD2-CD1 4.11Å; F774-L792 HydrophobicContact CD2-CD2 4Å; F774-L792 HydrophobicContact CE1-CD1 4.04Å; F774-L792 HydrophobicContact CE2-CD1 4.11Å; F774-L792 HydrophobicContact CE2-CD2 3.83Å; F774-L792 HydrophobicContact CE2-CG 4.4Å; F774-L792 HydrophobicContact CG-CD1 4.05Å; F774-L792 HydrophobicContact CZ-CD1 4.07Å; F774-L792 HydrophobicContact CZ-CD2 4.41Å; C788-L792 PolarHBondContact O-N 3.37Å; C788-L792 VanDerWaalsContact O-N 3.08Å; V789-L792 PolarHBondContact O-N 3.34Å; K790-L792 VanDerWaalsContact C-N 3.35Å; K790-L792 PolarHBondContact O-N 3.43Å; L792-Y795 PolarHBondContact O-N 3.11Å; L792-L796 HydrophobicContact CD2-CD1 3.68Å; L792-L796 HydrophobicContact CD2-CG 4.17Å; L792-L796 WeakPolarHBondContact O-CG 3.1Å; L792-L796 PolarHBondContact O-N 2.84Å; L792-F815 HydrophobicContact CD2-CD2 4.1Å; L792-F815 HydrophobicContact CD2-CE1 4.14Å; L792-F815 HydrophobicContact CD2-CE2 3.18Å; L792-F815 HydrophobicContact CD2-CZ 3.2Å; L792-F839 HydrophobicContact CB-CD1 4.25Å; L792-F839 HydrophobicContact CD1-CB 3.83Å; L792-F839 HydrophobicContact CD1-CD2 4.26Å; L792-F839 HydrophobicContact CD1-CG 3.97Å; L792-F839 HydrophobicContact CG-CG 4.46Å
793	I	83.4	Confident	73.4	Confident	36 Å²	36	69 Å²	69	19%	0.185	37%	0.368	C	S	.	.	H	α-helix	trans	-56.8	-54	169.3	-66.1	157.2	0	0	0	110.7	V789 K790 Y795 L796 Q797 I805 F815	V789-I793 HydrophobicContact CG1-CD1 3.79Å; V789-I793 HydrophobicContact CG1-CG1 4.32Å; V789-I793 WeakPolarHBondContact O-CD1 3.46Å; V789-I793 VanDerWaalsContact O-CG1 3.24Å; V789-I793 WeakPolarHBondContact O-CG1 3.42Å; V789-I793 PolarHBondContact O-N 2.97Å; K790-I793 PolarHBondContact O-N 3.05Å; I793-Y795 PolarHBondContact O-N 3.03Å; I793-L796 PolarHBondContact O-N 2.9Å; I793-Q797 HydrophobicContact CG2-CG 4.19Å; I793-Q797 WeakPolarHBondContact O-CB 3.32Å; I793-Q797 WeakPolarHBondContact O-CG 3.21Å; I793-Q797 PolarHBondContact O-N 3.46Å; I793-I805 HydrophobicContact CD1-CD1 3.49Å; I793-I805 VanDerWaalsContact CD1-CD1 3.49Å; I793-I805 HydrophobicContact CG1-CD1 3.81Å; I793-I805 HydrophobicContact CG1-CG1 4.47Å; I793-F815 HydrophobicContact CG1-CE1 3.88Å; I793-F815 HydrophobicContact CG1-CZ 4.38Å
794	S	82.8	Confident	74.9	Confident	72 Å²	72	67.6 Å²	67.6	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-26.5	-178.4	55.8	0	0	0	0	113.2	K790 K791	K790-S794 PolarHBondContact O-N 2.71Å; K790-S794 PolarHBondContact O-OG 3.38Å; K790-S794 VanDerWaalsContact O-OG 3.09Å; K791-S794 WeakPolarHBondContact CA-OG 3.5Å; K791-S794 PolarHBondContact O-N 3.39Å; K791-S794 PolarHBondContact O-OG 3Å
795	Y	83.3	Confident	76.3	Confident	54 Å²	54	67.5 Å²	67.5	21%	0.212	36%	0.357	C	S	.	.	H	α-helix	trans	-75.6	-49.4	175.7	-170.3	-101	0	0	0	111.5	K791 L792 I793 Q797 S798 Y799 F839	K791-Y795 WeakPolarHBondContact O-CB 3.34Å; K791-Y795 PolarHBondContact O-N 3.03Å; L792-Y795 PolarHBondContact O-N 3.11Å; I793-Y795 PolarHBondContact O-N 3.03Å; Y795-Q797 VanDerWaalsContact C-N 3.32Å; Y795-Q797 PolarHBondContact O-N 3.08Å; Y795-S798 WeakPolarHBondContact O-CB 3.36Å; Y795-S798 PolarHBondContact O-N 2.92Å; Y795-S798 VanDerWaalsContact O-N 3.12Å; Y795-S798 PolarHBondContact O-OG 3.18Å; Y795-Y799 HydrophobicContact CE1-CE2 4.08Å; Y795-Y799 HydrophobicContact CE2-CE2 4.48Å; Y795-F839 HydrophobicContact CD1-CE1 4.46Å; Y795-F839 AromaticContact CD1-CE2 3.92Å; Y795-F839 HydrophobicContact CD1-CE2 3.92Å; Y795-F839 AromaticContact CD1-CZ 3.5Å; Y795-F839 HydrophobicContact CD1-CZ 3.5Å; Y795-F839 HydrophobicContact CD2-CE1 4.42Å; Y795-F839 AromaticContact CD2-CZ 3.79Å; Y795-F839 HydrophobicContact CD2-CZ 3.79Å; Y795-F839 AromaticContact CE1-CE2 3.98Å; Y795-F839 HydrophobicContact CE1-CE2 3.98Å; Y795-F839 AromaticContact CE1-CZ 3.81Å; Y795-F839 HydrophobicContact CE1-CZ 3.81Å; Y795-F839 HydrophobicContact CE2-CZ 4.08Å; Y795-F839 HydrophobicContact CG-CE1 4.11Å; Y795-F839 HydrophobicContact CG-CE2 4.34Å; Y795-F839 AromaticContact CG-CZ 3.47Å; Y795-F839 HydrophobicContact CG-CZ 3.47Å; Y795-F839 VanDerWaalsContact CG-CZ 3.47Å
796	L	84.4	Confident	77.3	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-60.7	-41.2	176.1	-66.8	178.3	0	0	0	112	L772 F774 L792 I793 S798 Y799 V800 V803 F815 L828	L772-L796 HydrophobicContact CD2-CD2 3.9Å; F774-L796 HydrophobicContact CE2-CD1 4.25Å; L792-L796 HydrophobicContact CD2-CD1 3.68Å; L792-L796 HydrophobicContact CD2-CG 4.17Å; L792-L796 WeakPolarHBondContact O-CG 3.1Å; L792-L796 PolarHBondContact O-N 2.84Å; I793-L796 PolarHBondContact O-N 2.9Å; L796-S798 PolarHBondContact O-N 3.23Å; L796-S798 VanDerWaalsContact O-N 3.15Å; L796-Y799 PolarHBondContact O-N 2.72Å; L796-V800 PolarHBondContact O-N 2.93Å; L796-V803 HydrophobicContact CB-CG1 4.31Å; L796-V803 HydrophobicContact CB-CG2 3.91Å; L796-V803 HydrophobicContact CD1-CG1 4.23Å; L796-F815 HydrophobicContact CD1-CB 4.11Å; L796-F815 HydrophobicContact CD1-CD1 3.68Å; L796-F815 HydrophobicContact CD1-CD2 3.73Å; L796-F815 HydrophobicContact CD1-CE1 3.96Å; L796-F815 HydrophobicContact CD1-CE2 4.03Å; L796-F815 HydrophobicContact CD1-CG 3.54Å; L796-F815 HydrophobicContact CD1-CZ 4.14Å; L796-L828 HydrophobicContact CD2-CD1 4.01Å
797	Q	83.9	Confident	78.2	Confident	95 Å²	95	66.6 Å²	66.6	44%	0.444	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-20.1	176.5	-75.9	179.9	-29.8	0	0	114.1	I793 Y795 Y799 V800 V803	I793-Q797 HydrophobicContact CG2-CG 4.19Å; I793-Q797 WeakPolarHBondContact O-CB 3.32Å; I793-Q797 WeakPolarHBondContact O-CG 3.21Å; I793-Q797 PolarHBondContact O-N 3.46Å; Y795-Q797 VanDerWaalsContact C-N 3.32Å; Y795-Q797 PolarHBondContact O-N 3.08Å; Q797-Y799 VanDerWaalsContact C-N 3.34Å; Q797-V800 WeakPolarHBondContact CA-O 3.49Å; Q797-V803 HydrophobicContact CG-CB 4.45Å
798	S	83.6	Confident	79.1	Confident	87 Å²	87	68.4 Å²	68.4	61%	0.608	36%	0.356	S	S	*	.	H	α-helix	trans	-76	-21.2	175.2	74.4	0	0	0	0	113.7	Y795 L796	Y795-S798 WeakPolarHBondContact O-CB 3.36Å; Y795-S798 PolarHBondContact O-N 2.92Å; Y795-S798 VanDerWaalsContact O-N 3.12Å; Y795-S798 PolarHBondContact O-OG 3.18Å; L796-S798 PolarHBondContact O-N 3.23Å; L796-S798 VanDerWaalsContact O-N 3.15Å
799	Y	80.6	Confident	79.6	Confident	76 Å²	76	68.5 Å²	68.5	30%	0.298	36%	0.358	S	S	.	.	H	α-helix	trans	-103.3	-38.4	177.2	-69.2	-83.9	0	0	0	112.6	Y795 L796 Q797 L828	Y795-Y799 HydrophobicContact CE1-CE2 4.08Å; Y795-Y799 HydrophobicContact CE2-CE2 4.48Å; L796-Y799 PolarHBondContact O-N 2.72Å; Q797-Y799 VanDerWaalsContact C-N 3.34Å; Y799-L828 HydrophobicContact CD2-CD1 3.82Å; Y799-L828 HydrophobicContact CG-CD1 3.78Å
800	V	78.5	Confident	79.5	Confident	3 Å²	3	75.1 Å²	75.1	2%	0.018	39%	0.387	C	S	.	.			trans	-132.1	107	-179.6	-179.1	0	0	0	0	107.7	L796 Q797 D802 V803 L817 P818 T820	L796-V800 PolarHBondContact O-N 2.93Å; Q797-V800 WeakPolarHBondContact CA-O 3.49Å; V800-D802 VanDerWaalsContact C-N 3.3Å; V800-D802 PolarHBondContact O-N 3.36Å; V800-V803 HydrophobicContact CB-CG2 3.88Å; V800-V803 HydrophobicContact CG1-CG2 4.13Å; V800-V803 WeakPolarHBondContact O-CG2 3.39Å; V800-L817 HydrophobicContact CB-CD2 4.38Å; V800-L817 HydrophobicContact CG2-CD2 4.47Å; V800-P818 HydrophobicContact CG1-CG 3.95Å; V800-T820 HydrophobicContact CG1-CG2 4.43Å; V800-T820 HydrophobicContact CG2-CG2 4.42Å
801	P	74.9	Confident	79.6	Confident	99 Å²	99	76 Å²	76	64%	0.643	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.6	-172.9	23.3	-32.7	0	0	0	113	V803	P801-V803 VanDerWaalsContact C-N 3.32Å; P801-V803 PolarHBondContact O-N 3.06Å
802	D	75.1	Confident	79.9	Confident	119 Å²	119	74 Å²	74	64%	0.636	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	44	-174.8	-69.1	-13.5	0	0	0	112.7	V800 E804 P818	V800-D802 VanDerWaalsContact C-N 3.3Å; V800-D802 PolarHBondContact O-N 3.36Å; D802-E804 PolarHBondContact O-N 3.35Å; D802-P818 HydrophobicContact CB-CG 3.81Å; D802-P818 WeakPolarHBondContact O-CD 3.27Å
803	V	77.4	Confident	80.1	Confident	16 Å²	16	74.1 Å²	74.1	10%	0.097	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-76.8	117.1	175.5	178.5	0	0	0	0	110.7	L796 Q797 V800 P801 F815 L817	L796-V803 HydrophobicContact CB-CG1 4.31Å; L796-V803 HydrophobicContact CB-CG2 3.91Å; L796-V803 HydrophobicContact CD1-CG1 4.23Å; Q797-V803 HydrophobicContact CG-CB 4.45Å; V800-V803 HydrophobicContact CB-CG2 3.88Å; V800-V803 HydrophobicContact CG1-CG2 4.13Å; V800-V803 WeakPolarHBondContact O-CG2 3.39Å; P801-V803 VanDerWaalsContact C-N 3.32Å; P801-V803 PolarHBondContact O-N 3.06Å; V803-F815 HydrophobicContact CG1-CB 4.03Å; V803-F815 HydrophobicContact CG1-CD1 3.62Å; V803-F815 HydrophobicContact CG1-CG 4.22Å; V803-L817 HydrophobicContact CG1-CD2 4.25Å; V803-L817 HydrophobicContact CG2-CD2 3.64Å
804	E	77.6	Confident	80.1	Confident	108 Å²	108	74.6 Å²	74.6	51%	0.505	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	143.6	171.7	-64.8	179	153.7	0	0	110.8	D802 F815 K816	D802-E804 PolarHBondContact O-N 3.35Å; E804-F815 CarbonylContact O-C 3.57Å; E804-F815 WeakPolarHBondContact O-CA 3.45Å; E804-K816 HydrophobicContact CB-CB 4.32Å; E804-K816 PolarHBondContact N-O 3.36Å; E804-K816 VanDerWaalsContact N-O 3.16Å; E804-K816 PolarHBondContact O-N 3.37Å; E804-K816 WeakPolarHBondContact OE2-CD 3.39Å; E804-K816 WeakPolarHBondContact OE2-CE 3.39Å; E804-K816 IonicContact OE2-NZ 2.75Å; E804-K816 PolarHBondContact OE2-NZ 3.15Å
805	I	79.4	Confident	80.2	Confident	83 Å²	83	71.1 Å²	71.1	43%	0.426	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.9	171.1	-50.4	175.5	0	0	0	108	I793 I813 F815	I793-I805 HydrophobicContact CD1-CD1 3.49Å; I793-I805 VanDerWaalsContact CD1-CD1 3.49Å; I793-I805 HydrophobicContact CG1-CD1 3.81Å; I793-I805 HydrophobicContact CG1-CG1 4.47Å; I805-I813 HydrophobicContact CG2-CG2 4.44Å; I805-F815 HydrophobicContact CD1-CE1 4.34Å; I805-F815 HydrophobicContact CG1-CD1 4.02Å; I805-F815 HydrophobicContact CG1-CE1 3.81Å
806	V	75.8	Confident	80	Confident	57 Å²	57	70.1 Å²	70.1	35%	0.345	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-49.6	-176.9	-176.3	0	0	0	0	110.1	F771 E814 K816	F771-V806 HydrophobicContact CD1-CG2 3.94Å; F771-V806 HydrophobicContact CE1-CB 4.5Å; F771-V806 HydrophobicContact CE1-CG1 4.19Å; F771-V806 HydrophobicContact CE1-CG2 3.72Å; V806-E814 HydrophobicContact CB-CB 4.34Å; V806-E814 HydrophobicContact CB-CG 4.06Å; V806-E814 HydrophobicContact CG2-CG 4.44Å; V806-E814 PolarHBondContact N-O 3.44Å; V806-K816 HydrophobicContact CG2-CB 3.57Å
807	Q	77.8	Confident	79.7	Confident	107 Å²	107	70.3 Å²	70.3	50%	0.5	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	140	-178.9	-174.6	170.6	-15.8	0	0	110.9	S809 I813 E814	Q807-S809 PolarHBondContact NE2-OG 3.28Å; Q807-I813 CarbonylContact O-C 3.59Å; Q807-I813 WeakPolarHBondContact O-CA 3.37Å; Q807-E814 HydrophobicContact CB-CB 4.3Å; Q807-E814 PolarHBondContact N-O 3.06Å; Q807-E814 PolarHBondContact O-N 3.35Å
808	N	81	Confident	79	Confident	89 Å²	89	67.5 Å²	67.5	48%	0.476	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	99.1	173.5	177.3	19.9	0	0	0	109.2	K776 I813	K776-N808 PolarHBondContact NZ-OD1 3.38Å; N808-I813 HydrophobicContact CB-CG2 4.38Å
809	S	77.8	Confident	78	Confident	45 Å²	45	69 Å²	69	32%	0.315	35%	0.35	S	S	.	.			trans	-106.5	162.1	179.8	-60.8	0	0	0	0	110.8	K776 Q807 K811 E812	K776-S809 VanDerWaalsContact CE-O 3.3Å; K776-S809 WeakPolarHBondContact CE-O 3.26Å; K776-S809 PolarHBondContact NZ-O 3.47Å; Q807-S809 PolarHBondContact NE2-OG 3.28Å; S809-K811 PolarHBondContact O-N 3.48Å; S809-E812 PolarHBondContact N-O 3.03Å; S809-E812 PolarHBondContact O-N 3.14Å
810	H	73.5	Confident	77	Confident	152 Å²	152	67.8 Å²	67.8	70%	0.704	35%	0.35	S	S	*	.	S	Bend	trans	-59.5	-17.5	177.9	-65	-61.9	0	0	0	114.6	E785	E785-H810 IonicContact OE1-CE1 3.18Å; E785-H810 IonicContact OE1-CG 2.7Å; E785-H810 IonicContact OE1-ND1 3.59Å; E785-H810 PolarHBondContact OE1-ND1 3.04Å; E785-H810 IonicContact OE2-CE1 2.6Å; E785-H810 IonicContact OE2-ND1 2.74Å
811	K	80.2	Confident	76.4	Confident	158 Å²	158	73.6 Å²	73.6	69%	0.687	38%	0.381	S	S	*	.	S	Bend	trans	-103.2	-33.4	177.6	-66	177.9	-177.9	171.1	0	114.3	V775 K776 S809	V775-K811 CarbonylContact C-O 3.41Å; K776-K811 WeakPolarHBondContact CB-O 3.12Å; K776-K811 PolarHBondContact N-O 3.1Å; S809-K811 PolarHBondContact O-N 3.48Å
812	E	85.1	Confident	76.2	Confident	94 Å²	94	72.4 Å²	72.4	44%	0.439	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.6	-164	-76.8	161.3	-154.2	0	0	110.5	T773 F774 V775 S809	T773-E812 HydrophobicContact CG2-CB 4.39Å; F774-E812 CarbonylContact O-C 3.52Å; F774-E812 VanDerWaalsContact O-CA 3.25Å; F774-E812 WeakPolarHBondContact O-CA 3.44Å; V775-E812 HydrophobicContact CB-CG 4.33Å; V775-E812 HydrophobicContact CG1-CG 4.27Å; V775-E812 HydrophobicContact CG2-CG 4.04Å; S809-E812 PolarHBondContact N-O 3.03Å; S809-E812 PolarHBondContact O-N 3.14Å
813	I	85.1	Confident	76.3	Confident	6 Å²	6	71.4 Å²	71.4	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.8	171.9	-40.5	170.2	0	0	0	107.9	T773 F774 K776 V789 I805 Q807 N808 F815	T773-I813 CarbonylContact C-O 3.6Å; T773-I813 WeakPolarHBondContact CA-O 3.4Å; F774-I813 PolarHBondContact N-O 2.95Å; F774-I813 PolarHBondContact O-N 3.49Å; K776-I813 HydrophobicContact CD-CG1 4.35Å; K776-I813 HydrophobicContact CG-CG1 4.28Å; V789-I813 HydrophobicContact CG1-CD1 4.49Å; V789-I813 HydrophobicContact CG2-CD1 4Å; I805-I813 HydrophobicContact CG2-CG2 4.44Å; Q807-I813 CarbonylContact O-C 3.59Å; Q807-I813 WeakPolarHBondContact O-CA 3.37Å; N808-I813 HydrophobicContact CB-CG2 4.38Å; I813-F815 HydrophobicContact CB-CE2 3.84Å; I813-F815 HydrophobicContact CB-CZ 4.37Å; I813-F815 HydrophobicContact CG2-CD2 4.2Å; I813-F815 HydrophobicContact CG2-CE1 4.4Å; I813-F815 HydrophobicContact CG2-CE2 3.4Å; I813-F815 HydrophobicContact CG2-CZ 3.52Å
814	E	84.8	Confident	76.4	Confident	45 Å²	45	72.5 Å²	72.5	21%	0.21	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.6	178.7	-177	174.8	-135.5	0	0	110.6	F771 T773 V806 Q807	F771-E814 HydrophobicContact CB-CG 4.38Å; F771-E814 HydrophobicContact CD1-CG 4.02Å; T773-E814 WeakPolarHBondContact OG1-CG 3.01Å; V806-E814 HydrophobicContact CB-CB 4.34Å; V806-E814 HydrophobicContact CB-CG 4.06Å; V806-E814 HydrophobicContact CG2-CG 4.44Å; V806-E814 PolarHBondContact N-O 3.44Å; Q807-E814 HydrophobicContact CB-CB 4.3Å; Q807-E814 PolarHBondContact N-O 3.06Å; Q807-E814 PolarHBondContact O-N 3.35Å
815	F	84.1	Confident	76.4	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.7	178	-63	-88.7	0	0	0	109.9	F771 L772 F774 L792 I793 L796 V803 E804 I805 I813	F771-F815 CarbonylContact C-O 3.51Å; F771-F815 VanDerWaalsContact CA-O 3.28Å; F771-F815 WeakPolarHBondContact CA-O 3.37Å; L772-F815 PolarHBondContact N-O 2.77Å; L772-F815 PolarHBondContact O-N 3.03Å; F774-F815 AromaticContact CD2-CD2 3.88Å; F774-F815 HydrophobicContact CD2-CD2 3.88Å; F774-F815 AromaticContact CD2-CE2 3.85Å; F774-F815 HydrophobicContact CD2-CE2 3.85Å; F774-F815 HydrophobicContact CE2-CD2 4.15Å; F774-F815 HydrophobicContact CE2-CE2 4.27Å; L792-F815 HydrophobicContact CD2-CD2 4.1Å; L792-F815 HydrophobicContact CD2-CE1 4.14Å; L792-F815 HydrophobicContact CD2-CE2 3.18Å; L792-F815 HydrophobicContact CD2-CZ 3.2Å; I793-F815 HydrophobicContact CG1-CE1 3.88Å; I793-F815 HydrophobicContact CG1-CZ 4.38Å; L796-F815 HydrophobicContact CD1-CB 4.11Å; L796-F815 HydrophobicContact CD1-CD1 3.68Å; L796-F815 HydrophobicContact CD1-CD2 3.73Å; L796-F815 HydrophobicContact CD1-CE1 3.96Å; L796-F815 HydrophobicContact CD1-CE2 4.03Å; L796-F815 HydrophobicContact CD1-CG 3.54Å; L796-F815 HydrophobicContact CD1-CZ 4.14Å; V803-F815 HydrophobicContact CG1-CB 4.03Å; V803-F815 HydrophobicContact CG1-CD1 3.62Å; V803-F815 HydrophobicContact CG1-CG 4.22Å; E804-F815 CarbonylContact O-C 3.57Å; E804-F815 WeakPolarHBondContact O-CA 3.45Å; I805-F815 HydrophobicContact CD1-CE1 4.34Å; I805-F815 HydrophobicContact CG1-CD1 4.02Å; I805-F815 HydrophobicContact CG1-CE1 3.81Å; I813-F815 HydrophobicContact CB-CE2 3.84Å; I813-F815 HydrophobicContact CB-CZ 4.37Å; I813-F815 HydrophobicContact CG2-CD2 4.2Å; I813-F815 HydrophobicContact CG2-CE1 4.4Å; I813-F815 HydrophobicContact CG2-CE2 3.4Å; I813-F815 HydrophobicContact CG2-CZ 3.52Å
816	K	79.8	Confident	76.4	Confident	32 Å²	32	71.7 Å²	71.7	14%	0.139	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.3	171.4	173.4	179.2	163.3	-145.6	0	108.7	F771 E804 V806	F771-K816 HydrophobicContact CD1-CB 4.34Å; F771-K816 HydrophobicContact CE1-CB 4.18Å; F771-K816 HydrophobicContact CE1-CD 4.4Å; F771-K816 HydrophobicContact CE1-CG 4.43Å; F771-K816 HydrophobicContact CZ-CD 4.3Å; F771-K816 HydrophobicContact CZ-CG 4.47Å; E804-K816 HydrophobicContact CB-CB 4.32Å; E804-K816 PolarHBondContact N-O 3.36Å; E804-K816 VanDerWaalsContact N-O 3.16Å; E804-K816 PolarHBondContact O-N 3.37Å; E804-K816 WeakPolarHBondContact OE2-CD 3.39Å; E804-K816 WeakPolarHBondContact OE2-CE 3.39Å; E804-K816 IonicContact OE2-NZ 2.75Å; E804-K816 PolarHBondContact OE2-NZ 3.15Å; V806-K816 HydrophobicContact CG2-CB 3.57Å
817	L	78.3	Confident	76.8	Confident	5 Å²	5	73 Å²	73	3%	0.026	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108.6	179.3	-58.2	170.2	0	0	0	108.2	G769 C770 L772 V800 V803 I819 L828 F846	G769-L817 CarbonylContact C-O 3.54Å; G769-L817 VanDerWaalsContact C-O 3.24Å; G769-L817 WeakPolarHBondContact CA-O 3.46Å; C770-L817 PolarHBondContact N-O 3.47Å; C770-L817 WeakPolarHBondContact O-CB 3.38Å; C770-L817 PolarHBondContact O-N 3.45Å; L772-L817 HydrophobicContact CB-CD1 3.72Å; L772-L817 HydrophobicContact CB-CG 4.31Å; L772-L817 HydrophobicContact CD2-CD1 3.87Å; L772-L817 HydrophobicContact CG-CD1 4.46Å; V800-L817 HydrophobicContact CB-CD2 4.38Å; V800-L817 HydrophobicContact CG2-CD2 4.47Å; V803-L817 HydrophobicContact CG1-CD2 4.25Å; V803-L817 HydrophobicContact CG2-CD2 3.64Å; L817-I819 PolarHBondContact O-N 2.9Å; L817-L828 HydrophobicContact CD1-CD2 3.71Å; L817-F846 HydrophobicContact CD1-CE1 3.89Å
818	P	69.5	Low	77.1	Confident	36 Å²	36	68 Å²	68	23%	0.234	37%	0.365	C	S	.	.			trans	-53.2	142.2	175.3	19.7	-30.5	0	0	0	110.8	V800 D802 T820	V800-P818 HydrophobicContact CG1-CG 3.95Å; D802-P818 HydrophobicContact CB-CG 3.81Å; D802-P818 WeakPolarHBondContact O-CD 3.27Å; P818-T820 PolarHBondContact O-N 3.27Å; P818-T820 PolarHBondContact O-OG1 3.02Å; P818-T820 VanDerWaalsContact O-OG1 3.09Å
819	I	61.7	Low	77.3	Confident	120 Å²	120	65.3 Å²	65.3	62%	0.615	35%	0.352	S	S	*	.			trans	-55.1	108.8	-175.2	-52.6	177	0	0	0	108.3	G768 L817	G768-I819 WeakPolarHBondContact O-CD1 3.28Å; G768-I819 WeakPolarHBondContact O-CG1 3.42Å; L817-I819 PolarHBondContact O-N 2.9Å
820	T	58.9	Low	77.6	Confident	49 Å²	49	65.5 Å²	65.5	30%	0.301	35%	0.353	S	S	.	.			trans	-115	152.8	179.8	27.2	0	0	0	0	107.4	V800 P818 A822	V800-T820 HydrophobicContact CG1-CG2 4.43Å; V800-T820 HydrophobicContact CG2-CG2 4.42Å; P818-T820 PolarHBondContact O-N 3.27Å; P818-T820 PolarHBondContact O-OG1 3.02Å; P818-T820 VanDerWaalsContact O-OG1 3.09Å; T820-A822 PolarHBondContact O-N 3.41Å
821	D	67.1	Low	78.1	Confident	125 Å²	125	61 Å²	61	67%	0.668	33%	0.332	S	S	*	.			trans	-46.2	141.1	-173.8	-62.2	-41.7	0	0	0	112.2	V823 T824 L825	D821-V823 PolarHBondContact O-N 3.39Å; D821-T824 WeakPolarHBondContact O-CA 3.28Å; D821-T824 WeakPolarHBondContact O-CB 3.25Å; D821-T824 PolarHBondContact O-N 3Å; D821-L825 PolarHBondContact O-N 3.2Å
822	A	70.4	Confident	78.3	Confident	75 Å²	75	53.5 Å²	53.5	62%	0.62	30%	0.3	S	S	*	.	H	α-helix	trans	-53.4	-28.4	-177	0	0	0	0	0	113.1	T820 L825 L826	T820-A822 PolarHBondContact O-N 3.41Å; A822-L825 PolarHBondContact O-N 3.42Å; A822-L826 WeakPolarHBondContact O-CB 3.45Å; A822-L826 VanDerWaalsContact O-CG 3.23Å; A822-L826 WeakPolarHBondContact O-CG 3.27Å; A822-L826 PolarHBondContact O-N 2.97Å
823	V	77.4	Confident	78.3	Confident	97 Å²	97	53.6 Å²	53.6	59%	0.588	30%	0.304	S	S	*	.	H	α-helix	trans	-63	-45.1	173	-176.5	0	0	0	0	112.1	D821 L826 N827	D821-V823 PolarHBondContact O-N 3.39Å; V823-L826 PolarHBondContact O-N 3.35Å; V823-N827 VanDerWaalsContact O-CG 3.28Å; V823-N827 PolarHBondContact O-N 3.15Å; V823-N827 PolarHBondContact O-ND2 3.18Å
824	T	78.9	Confident	78.3	Confident	40 Å²	40	60.4 Å²	60.4	25%	0.245	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-41.8	177.7	-51.4	0	0	0	0	110.8	D821 N827 L828	D821-T824 WeakPolarHBondContact O-CA 3.28Å; D821-T824 WeakPolarHBondContact O-CB 3.25Å; D821-T824 PolarHBondContact O-N 3Å; T824-N827 PolarHBondContact O-N 3.08Å; T824-L828 WeakPolarHBondContact O-CB 3.37Å; T824-L828 PolarHBondContact O-N 2.92Å
825	L	77.8	Confident	78.1	Confident	55 Å²	55	59.1 Å²	59.1	29%	0.288	33%	0.329	S	S	.	.	H	α-helix	trans	-67.2	-42.5	176.9	-163.5	153.2	0	0	0	111.6	D821 A822 N827 L828 V829	D821-L825 PolarHBondContact O-N 3.2Å; A822-L825 PolarHBondContact O-N 3.42Å; L825-N827 PolarHBondContact O-N 3.24Å; L825-L828 WeakPolarHBondContact O-CB 3.35Å; L825-L828 PolarHBondContact O-N 3.12Å; L825-V829 HydrophobicContact CD2-CG2 3.76Å; L825-V829 VanDerWaalsContact O-CG2 3.23Å; L825-V829 WeakPolarHBondContact O-CG2 3.33Å; L825-V829 PolarHBondContact O-N 3.16Å
826	L	80.4	Confident	78	Confident	118 Å²	118	60.4 Å²	60.4	62%	0.618	34%	0.336	S	S	*	.	H	α-helix	trans	-60.1	-42.9	174.7	-76.9	167.2	0	0	0	112.4	A822 V823 V829 S830	A822-L826 WeakPolarHBondContact O-CB 3.45Å; A822-L826 VanDerWaalsContact O-CG 3.23Å; A822-L826 WeakPolarHBondContact O-CG 3.27Å; A822-L826 PolarHBondContact O-N 2.97Å; V823-L826 PolarHBondContact O-N 3.35Å; L826-V829 PolarHBondContact O-N 3.23Å; L826-S830 WeakPolarHBondContact O-CB 3.32Å; L826-S830 PolarHBondContact O-N 3.26Å
827	N	83	Confident	77.8	Confident	86 Å²	86	65.9 Å²	65.9	46%	0.46	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-48.5	175.1	-71.4	-22	0	0	0	110.9	V823 T824 L825 V829 S830 E831	V823-N827 VanDerWaalsContact O-CG 3.28Å; V823-N827 PolarHBondContact O-N 3.15Å; V823-N827 PolarHBondContact O-ND2 3.18Å; T824-N827 PolarHBondContact O-N 3.08Å; L825-N827 PolarHBondContact O-N 3.24Å; N827-V829 PolarHBondContact O-N 2.85Å; N827-S830 PolarHBondContact O-N 3.42Å; N827-S830 PolarHBondContact O-OG 3.48Å; N827-E831 PolarHBondContact O-N 2.92Å
828	L	84.6	Confident	77.8	Confident	2 Å²	2	70 Å²	70	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-55.5	-49.5	176.9	-174.7	81.4	0	0	0	111.9	L772 L796 Y799 L817 T824 L825 S830 E831 I832 F846	L772-L828 HydrophobicContact CD2-CD2 4.33Å; L796-L828 HydrophobicContact CD2-CD1 4.01Å; Y799-L828 HydrophobicContact CD2-CD1 3.82Å; Y799-L828 HydrophobicContact CG-CD1 3.78Å; L817-L828 HydrophobicContact CD1-CD2 3.71Å; T824-L828 WeakPolarHBondContact O-CB 3.37Å; T824-L828 PolarHBondContact O-N 2.92Å; L825-L828 WeakPolarHBondContact O-CB 3.35Å; L825-L828 PolarHBondContact O-N 3.12Å; L828-S830 PolarHBondContact O-N 2.87Å; L828-E831 PolarHBondContact O-N 3.46Å; L828-I832 HydrophobicContact CD1-CD1 4.41Å; L828-I832 HydrophobicContact CD2-CD1 4.21Å; L828-I832 HydrophobicContact CG-CD1 3.8Å; L828-I832 VanDerWaalsContact O-CG1 3.29Å; L828-I832 WeakPolarHBondContact O-CG1 3.45Å; L828-I832 PolarHBondContact O-N 3.31Å; L828-F846 HydrophobicContact CD2-CE1 4.48Å; L828-F846 HydrophobicContact CD2-CZ 4.32Å
829	V	84.7	Confident	78.1	Confident	32 Å²	32	69.4 Å²	69.4	19%	0.194	38%	0.384	C	S	.	.	H	α-helix	trans	-56.7	-50.3	177.2	171.9	0	0	0	0	110.9	L825 L826 N827 E831 I832 D833 F846	L825-V829 HydrophobicContact CD2-CG2 3.76Å; L825-V829 VanDerWaalsContact O-CG2 3.23Å; L825-V829 WeakPolarHBondContact O-CG2 3.33Å; L825-V829 PolarHBondContact O-N 3.16Å; L826-V829 PolarHBondContact O-N 3.23Å; N827-V829 PolarHBondContact O-N 2.85Å; V829-E831 PolarHBondContact O-N 3.15Å; V829-I832 PolarHBondContact O-N 2.91Å; V829-D833 PolarHBondContact O-N 3.45Å; V829-F846 HydrophobicContact CG2-CD2 4.49Å; V829-F846 HydrophobicContact CG2-CE2 3.57Å; V829-F846 HydrophobicContact CG2-CZ 3.76Å
830	S	84.4	Confident	78.7	Confident	48 Å²	48	64.8 Å²	64.8	34%	0.336	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-25.9	-175.8	78.6	0	0	0	0	113.8	L826 N827 L828 K834	L826-S830 WeakPolarHBondContact O-CB 3.32Å; L826-S830 PolarHBondContact O-N 3.26Å; N827-S830 PolarHBondContact O-N 3.42Å; N827-S830 PolarHBondContact O-OG 3.48Å; L828-S830 PolarHBondContact O-N 2.87Å; S830-K834 WeakPolarHBondContact O-CD 3.36Å; S830-K834 VanDerWaalsContact O-CE 3.28Å; S830-K834 WeakPolarHBondContact O-CE 3.47Å; S830-K834 WeakPolarHBondContact O-CG 3.43Å
831	E	83.4	Confident	79.8	Confident	57 Å²	57	62.7 Å²	62.7	27%	0.266	35%	0.354	S	S	.	.	H	α-helix	trans	-90.3	-35.6	178.7	-74.9	-62.8	137.8	0	0	112	N827 L828 V829 D833 K834 S835	N827-E831 PolarHBondContact O-N 2.92Å; L828-E831 PolarHBondContact O-N 3.46Å; V829-E831 PolarHBondContact O-N 3.15Å; E831-D833 VanDerWaalsContact C-N 3.33Å; E831-D833 PolarHBondContact O-N 3.46Å; E831-K834 PolarHBondContact O-N 3.44Å; E831-K834 IonicContact OE1-NZ 2.62Å; E831-K834 PolarHBondContact OE1-NZ 3.14Å; E831-S835 WeakPolarHBondContact O-CB 3.33Å; E831-S835 PolarHBondContact O-N 3.43Å; E831-S835 VanDerWaalsContact O-N 3.14Å; E831-S835 PolarHBondContact O-OG 3.43Å
832	I	85.2	Confident	80.5	Confident	1 Å²	1	60 Å²	60	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-58.8	-44.6	168.8	-69.9	165.9	0	0	0	110.5	L772 F774 L828 V829 K834 S835 L836 Y844	L772-I832 HydrophobicContact CD2-CD1 3.69Å; F774-I832 HydrophobicContact CE1-CG2 3.86Å; F774-I832 HydrophobicContact CZ-CD1 4Å; F774-I832 HydrophobicContact CZ-CG1 4.26Å; F774-I832 HydrophobicContact CZ-CG2 4.22Å; L828-I832 HydrophobicContact CD1-CD1 4.41Å; L828-I832 HydrophobicContact CD2-CD1 4.21Å; L828-I832 HydrophobicContact CG-CD1 3.8Å; L828-I832 VanDerWaalsContact O-CG1 3.29Å; L828-I832 WeakPolarHBondContact O-CG1 3.45Å; L828-I832 PolarHBondContact O-N 3.31Å; V829-I832 PolarHBondContact O-N 2.91Å; I832-K834 VanDerWaalsContact C-N 3.27Å; I832-K834 PolarHBondContact O-N 2.79Å; I832-S835 PolarHBondContact O-N 3.24Å; I832-S835 VanDerWaalsContact O-N 3.11Å; I832-L836 HydrophobicContact CG2-CD1 4.22Å; I832-L836 WeakPolarHBondContact O-CB 3.26Å; I832-L836 PolarHBondContact O-N 2.95Å; I832-Y844 HydrophobicContact CG2-CD1 3.48Å; I832-Y844 VanDerWaalsContact CG2-CD1 3.48Å; I832-Y844 HydrophobicContact CG2-CD2 4.39Å; I832-Y844 HydrophobicContact CG2-CE1 3.66Å; I832-Y844 HydrophobicContact CG2-CG 3.87Å
833	D	84.4	Confident	81.3	Confident	97 Å²	97	59 Å²	59	52%	0.519	33%	0.33	S	S	.	.	H	α-helix	trans	-57.1	-38.3	178.1	-82.7	-22.6	0	0	0	112.7	V829 E831 Y844	V829-D833 PolarHBondContact O-N 3.45Å; E831-D833 VanDerWaalsContact C-N 3.33Å; E831-D833 PolarHBondContact O-N 3.46Å; D833-Y844 VanDerWaalsContact CG-OH 3.32Å; D833-Y844 WeakPolarHBondContact OD1-CE1 3.47Å; D833-Y844 VanDerWaalsContact OD1-CZ 3.3Å; D833-Y844 PolarHBondContact OD1-OH 2.95Å
834	K	84.8	Confident	81.8	Confident	149 Å²	149	57.1 Å²	57.1	65%	0.648	31%	0.313	S	S	*	.	H	α-helix	trans	-73.8	-30.2	178.1	-65.3	167.5	-164.9	168.9	0	113.1	S830 E831 I832	S830-K834 WeakPolarHBondContact O-CD 3.36Å; S830-K834 VanDerWaalsContact O-CE 3.28Å; S830-K834 WeakPolarHBondContact O-CE 3.47Å; S830-K834 WeakPolarHBondContact O-CG 3.43Å; E831-K834 PolarHBondContact O-N 3.44Å; E831-K834 IonicContact OE1-NZ 2.62Å; E831-K834 PolarHBondContact OE1-NZ 3.14Å; I832-K834 VanDerWaalsContact C-N 3.27Å; I832-K834 PolarHBondContact O-N 2.79Å
835	S	81.4	Confident	82.2	Confident	18 Å²	18	56.8 Å²	56.8	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-114	-5.2	-164.6	60.7	0	0	0	0	114.6	E831 I832 E837 S838 F839	E831-S835 WeakPolarHBondContact O-CB 3.33Å; E831-S835 PolarHBondContact O-N 3.43Å; E831-S835 VanDerWaalsContact O-N 3.14Å; E831-S835 PolarHBondContact O-OG 3.43Å; I832-S835 PolarHBondContact O-N 3.24Å; I832-S835 VanDerWaalsContact O-N 3.11Å; S835-E837 VanDerWaalsContact C-N 3.26Å; S835-E837 PolarHBondContact O-N 2.82Å; S835-E837 VanDerWaalsContact O-N 3.1Å; S835-S838 WeakPolarHBondContact O-CB 3.39Å; S835-S838 PolarHBondContact O-N 3.19Å; S835-S838 PolarHBondContact O-OG 2.85Å; S835-F839 WeakPolarHBondContact O-CD2 3.48Å; S835-F839 VanDerWaalsContact OG-CE2 3.25Å; S835-F839 WeakPolarHBondContact OG-CE2 3.42Å
836	L	81.7	Confident	82.4	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.141	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-43.6	-176.1	-169.8	68.8	0	0	0	114.2	F774 I832 S838 C841 Y844	F774-L836 HydrophobicContact CD1-CD1 4.09Å; F774-L836 HydrophobicContact CE1-CD1 4.09Å; I832-L836 HydrophobicContact CG2-CD1 4.22Å; I832-L836 WeakPolarHBondContact O-CB 3.26Å; I832-L836 PolarHBondContact O-N 2.95Å; L836-S838 VanDerWaalsContact C-N 3.33Å; L836-S838 PolarHBondContact O-N 3.37Å; L836-C841 HydrophobicContact CD1-CB 3.77Å; L836-C841 HydrophobicContact CG-CB 4.27Å; L836-C841 PolarHBondContact O-N 3.4Å; L836-Y844 HydrophobicContact CD1-CD1 3.85Å; L836-Y844 HydrophobicContact CD2-CD1 4.38Å
837	E	75.7	Confident	82.2	Confident	147 Å²	147	54.3 Å²	54.3	69%	0.687	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-34.8	179.8	-64.5	-131	103.6	0	0	112.8	K777 S835 F839 G840	K777-E837 IonicContact NZ-OE1 3.5Å; K777-E837 PolarHBondContact NZ-OE1 3.26Å; S835-E837 VanDerWaalsContact C-N 3.26Å; S835-E837 PolarHBondContact O-N 2.82Å; S835-E837 VanDerWaalsContact O-N 3.1Å; E837-F839 VanDerWaalsContact C-N 3.3Å; E837-F839 PolarHBondContact O-N 3.31Å; E837-G840 PolarHBondContact O-N 3.38Å; E837-G840 VanDerWaalsContact O-N 3.15Å
838	S	78.5	Confident	81.5	Confident	90 Å²	90	58.8 Å²	58.8	63%	0.629	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.8	-176.6	78.4	0	0	0	0	113	S835 L836 G840	S835-S838 WeakPolarHBondContact O-CB 3.39Å; S835-S838 PolarHBondContact O-N 3.19Å; S835-S838 PolarHBondContact O-OG 2.85Å; L836-S838 VanDerWaalsContact C-N 3.33Å; L836-S838 PolarHBondContact O-N 3.37Å; S838-G840 VanDerWaalsContact C-N 3.33Å
839	F	74.9	Confident	80.7	Confident	24 Å²	24	59.2 Å²	59.2	11%	0.105	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.5	174.8	-58.2	-57.7	0	0	0	113.8	L792 Y795 S835 E837	L792-F839 HydrophobicContact CB-CD1 4.25Å; L792-F839 HydrophobicContact CD1-CB 3.83Å; L792-F839 HydrophobicContact CD1-CD2 4.26Å; L792-F839 HydrophobicContact CD1-CG 3.97Å; L792-F839 HydrophobicContact CG-CG 4.46Å; Y795-F839 HydrophobicContact CD1-CE1 4.46Å; Y795-F839 AromaticContact CD1-CE2 3.92Å; Y795-F839 HydrophobicContact CD1-CE2 3.92Å; Y795-F839 AromaticContact CD1-CZ 3.5Å; Y795-F839 HydrophobicContact CD1-CZ 3.5Å; Y795-F839 HydrophobicContact CD2-CE1 4.42Å; Y795-F839 AromaticContact CD2-CZ 3.79Å; Y795-F839 HydrophobicContact CD2-CZ 3.79Å; Y795-F839 AromaticContact CE1-CE2 3.98Å; Y795-F839 HydrophobicContact CE1-CE2 3.98Å; Y795-F839 AromaticContact CE1-CZ 3.81Å; Y795-F839 HydrophobicContact CE1-CZ 3.81Å; Y795-F839 HydrophobicContact CE2-CZ 4.08Å; Y795-F839 HydrophobicContact CG-CE1 4.11Å; Y795-F839 HydrophobicContact CG-CE2 4.34Å; Y795-F839 AromaticContact CG-CZ 3.47Å; Y795-F839 HydrophobicContact CG-CZ 3.47Å; Y795-F839 VanDerWaalsContact CG-CZ 3.47Å; S835-F839 WeakPolarHBondContact O-CD2 3.48Å; S835-F839 VanDerWaalsContact OG-CE2 3.25Å; S835-F839 WeakPolarHBondContact OG-CE2 3.42Å; E837-F839 VanDerWaalsContact C-N 3.3Å; E837-F839 PolarHBondContact O-N 3.31Å
840	G	75.8	Confident	80.2	Confident	24 Å²	24	58.8 Å²	58.8	25%	0.247	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	24.9	-176.4	0	0	0	0	0	113.8	K777 E837 S838	K777-G840 VanDerWaalsContact CB-O 3.27Å; K777-G840 WeakPolarHBondContact CB-O 3.2Å; K777-G840 WeakPolarHBondContact CG-O 3.39Å; K777-G840 PolarHBondContact N-O 3.14Å; E837-G840 PolarHBondContact O-N 3.38Å; E837-G840 VanDerWaalsContact O-N 3.15Å; S838-G840 VanDerWaalsContact C-N 3.33Å
841	C	80.9	Confident	80	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.034	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	157.1	176	-62.6	0	0	0	0	111.3	F774 V775 K777 L836	F774-C841 HydrophobicContact CD1-CB 4.1Å; V775-C841 CarbonylContact O-C 3.5Å; V775-C841 WeakPolarHBondContact O-CA 3.37Å; K777-C841 WeakPolarHBondContact CE-O 3.38Å; L836-C841 HydrophobicContact CD1-CB 3.77Å; L836-C841 HydrophobicContact CG-CB 4.27Å; L836-C841 PolarHBondContact O-N 3.4Å
842	T	82.7	Confident	79.9	Confident	68 Å²	68	59.6 Å²	59.6	42%	0.417	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-37.2	178.6	49.5	0	0	0	0	112.7	V775 K777	V775-T842 WeakPolarHBondContact CB-OG1 3.25Å; V775-T842 WeakPolarHBondContact CG1-OG1 3.18Å; V775-T842 PolarHBondContact O-N 2.82Å; V775-T842 PolarHBondContact O-OG1 3.35Å; K777-T842 HydrophobicContact CB-CG2 4.15Å; K777-T842 HydrophobicContact CG-CG2 3.43Å; K777-T842 VanDerWaalsContact CG-CG2 3.43Å
843	S	86.9	Confident	79.5	Confident	53 Å²	53	60.7 Å²	60.7	37%	0.371	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	159.6	-179.3	52.6	0	0	0	0	108.5	V775	V775-S843 WeakPolarHBondContact CG2-OG 3.5Å; V775-S843 PolarHBondContact N-O 2.96Å
844	Y	88.8	Confident	79.3	Confident	58 Å²	58	56.3 Å²	56.3	23%	0.227	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	164.3	165.1	67.2	-83	0	0	0	109.4	L772 T773 I832 D833 L836 F846	L772-Y844 HydrophobicContact CD1-CD2 3.94Å; L772-Y844 HydrophobicContact CD1-CG 4.39Å; T773-Y844 CarbonylContact O-C 3.55Å; T773-Y844 WeakPolarHBondContact O-CA 3.43Å; I832-Y844 HydrophobicContact CG2-CD1 3.48Å; I832-Y844 VanDerWaalsContact CG2-CD1 3.48Å; I832-Y844 HydrophobicContact CG2-CD2 4.39Å; I832-Y844 HydrophobicContact CG2-CE1 3.66Å; I832-Y844 HydrophobicContact CG2-CG 3.87Å; D833-Y844 VanDerWaalsContact CG-OH 3.32Å; D833-Y844 WeakPolarHBondContact OD1-CE1 3.47Å; D833-Y844 VanDerWaalsContact OD1-CZ 3.3Å; D833-Y844 PolarHBondContact OD1-OH 2.95Å; L836-Y844 HydrophobicContact CD1-CD1 3.85Å; L836-Y844 HydrophobicContact CD2-CD1 4.38Å; Y844-F846 AromaticContact CD2-CD2 3.99Å; Y844-F846 HydrophobicContact CD2-CD2 3.99Å; Y844-F846 AromaticContact CD2-CE2 3.74Å; Y844-F846 HydrophobicContact CD2-CE2 3.74Å; Y844-F846 AromaticContact CE2-CD2 3.92Å; Y844-F846 HydrophobicContact CE2-CD2 3.92Å; Y844-F846 AromaticContact CE2-CE2 3.58Å; Y844-F846 HydrophobicContact CE2-CE2 3.58Å
845	G	85.7	Confident	79.3	Confident	33 Å²	33	51.6 Å²	51.6	34%	0.34	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.8	171.8	0	0	0	0	0	110.1	T773	T773-G845 PolarHBondContact N-O 2.96Å; T773-G845 PolarHBondContact O-N 2.99Å
846	F	83.2	Confident	79.1	Confident	67 Å²	67	55.1 Å²	55.1	29%	0.294	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.1	170.1	-72.6	-88.4	0	0	0	109.5	C770 F771 L772 L817 L828 V829 Y844	C770-F846 VanDerWaalsContact SG-CD1 3.6Å; F771-F846 CarbonylContact O-C 3.58Å; F771-F846 VanDerWaalsContact O-CA 3.3Å; F771-F846 WeakPolarHBondContact O-CA 3.47Å; L772-F846 HydrophobicContact CB-CD1 4.2Å; L772-F846 HydrophobicContact CB-CE1 4.03Å; L772-F846 HydrophobicContact CD1-CD1 4.13Å; L772-F846 HydrophobicContact CD1-CD2 4.19Å; L772-F846 HydrophobicContact CD1-CE1 3.85Å; L772-F846 HydrophobicContact CD1-CE2 3.86Å; L772-F846 HydrophobicContact CD1-CG 4.33Å; L772-F846 HydrophobicContact CD1-CZ 3.71Å; L772-F846 HydrophobicContact CD2-CE1 4.17Å; L772-F846 HydrophobicContact CD2-CZ 4.15Å; L772-F846 HydrophobicContact CG-CE1 4.22Å; L772-F846 HydrophobicContact CG-CZ 4.38Å; L817-F846 HydrophobicContact CD1-CE1 3.89Å; L828-F846 HydrophobicContact CD2-CE1 4.48Å; L828-F846 HydrophobicContact CD2-CZ 4.32Å; V829-F846 HydrophobicContact CG2-CD2 4.49Å; V829-F846 HydrophobicContact CG2-CE2 3.57Å; V829-F846 HydrophobicContact CG2-CZ 3.76Å; Y844-F846 AromaticContact CD2-CD2 3.99Å; Y844-F846 HydrophobicContact CD2-CD2 3.99Å; Y844-F846 AromaticContact CD2-CE2 3.74Å; Y844-F846 HydrophobicContact CD2-CE2 3.74Å; Y844-F846 AromaticContact CE2-CD2 3.92Å; Y844-F846 HydrophobicContact CE2-CD2 3.92Å; Y844-F846 AromaticContact CE2-CE2 3.58Å; Y844-F846 HydrophobicContact CE2-CE2 3.58Å
847	S	74.9	Confident	78.9	Confident	54 Å²	54	56.9 Å²	56.9	38%	0.378	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.6	169.4	34.2	0	0	0	0	109.8	C770 F771	C770-S847 PolarHBondContact SG-O 3.4Å; F771-S847 PolarHBondContact N-O 3.49Å; F771-S847 PolarHBondContact O-N 2.91Å
848	E	69.6	Low	79	Confident	180 Å²	180	52.8 Å²	52.8	84%	0.841	29%	0.292	S	S	*	.			trans	-77.2	152.1	171.6	-68.2	176	173.8	0	0	109.9	G850	E848-G850 PolarHBondContact O-N 2.9Å
849	G	67.9	Low	79	Confident	11 Å²	11	50.2 Å²	50.2	11%	0.113	27%	0.273	C	S	.	.			trans	-68.8	124.9	176	0	0	0	0	0	111.2	D853	G849-D853 VanDerWaalsContact CA-OD2 3.28Å; G849-D853 WeakPolarHBondContact CA-OD2 3.29Å
850	G	73.8	Confident	78.6	Confident	23 Å²	23	52.2 Å²	52.2	24%	0.237	28%	0.283	C	S	.	.			trans	-82.1	177.1	-178.9	0	0	0	0	0	112.6	E848 E852 D853 V854	E848-G850 PolarHBondContact O-N 2.9Å; G850-E852 PolarHBondContact O-N 3.15Å; G850-E852 VanDerWaalsContact O-N 3.16Å; G850-D853 PolarHBondContact N-OD2 3.43Å; G850-D853 PolarHBondContact O-N 2.95Å; G850-V854 PolarHBondContact O-N 3.38Å
851	L	80.5	Confident	77.8	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-25.6	168.6	-175.6	65.2	0	0	0	112.2	I547 L735 A738 E739 I745 M763 D853 V854 Y855	I547-L851 HydrophobicContact CD1-CD2 3.75Å; I547-L851 HydrophobicContact CD1-CG 4.44Å; L735-L851 HydrophobicContact CB-CD2 4.25Å; L735-L851 HydrophobicContact CD2-CD2 4.24Å; L735-L851 HydrophobicContact CD2-CG 4.36Å; A738-L851 HydrophobicContact CB-CD2 4.19Å; E739-L851 HydrophobicContact CB-CD2 4.25Å; I745-L851 HydrophobicContact CD1-CD1 3.67Å; I745-L851 HydrophobicContact CD1-CD2 3.55Å; I745-L851 HydrophobicContact CD1-CG 4.26Å; I745-L851 HydrophobicContact CG2-CD1 4.23Å; M763-L851 HydrophobicContact CE-CB 4.47Å; L851-D853 VanDerWaalsContact C-N 3.31Å; L851-D853 PolarHBondContact O-N 3.36Å; L851-V854 HydrophobicContact CD1-CB 4.39Å; L851-V854 PolarHBondContact O-N 3.4Å; L851-Y855 WeakPolarHBondContact O-CB 3.49Å; L851-Y855 PolarHBondContact O-N 3.15Å
852	E	80.6	Confident	76.2	Confident	122 Å²	122	62.9 Å²	62.9	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-59.5	-38.1	171.9	-51.3	-155.7	150	0	0	112.7	L735 G850 R856	L735-E852 HydrophobicContact CD1-CB 4.15Å; L735-E852 HydrophobicContact CD1-CG 3.8Å; G850-E852 PolarHBondContact O-N 3.15Å; G850-E852 VanDerWaalsContact O-N 3.16Å; E852-R856 WeakPolarHBondContact O-CB 3.29Å; E852-R856 PolarHBondContact O-N 3.03Å
853	D	76.6	Confident	74	Confident	24 Å²	24	63.4 Å²	63.4	13%	0.128	36%	0.364	C	S	.	.	H	α-helix	trans	-74.6	-40	179.4	-61	-64.8	0	0	0	111.6	F771 G849 G850 L851 R856 N857	F771-D853 WeakPolarHBondContact CE2-OD2 3.39Å; F771-D853 HydrophobicContact CZ-CB 4.38Å; F771-D853 VanDerWaalsContact CZ-OD1 3.3Å; F771-D853 WeakPolarHBondContact CZ-OD1 3.27Å; G849-D853 VanDerWaalsContact CA-OD2 3.28Å; G849-D853 WeakPolarHBondContact CA-OD2 3.29Å; G850-D853 PolarHBondContact N-OD2 3.43Å; G850-D853 PolarHBondContact O-N 2.95Å; L851-D853 VanDerWaalsContact C-N 3.31Å; L851-D853 PolarHBondContact O-N 3.36Å; D853-R856 PolarHBondContact O-N 2.93Å; D853-R856 IonicContact OD1-CZ 2.6Å; D853-R856 IonicContact OD1-NH1 3.41Å; D853-R856 PolarHBondContact OD1-NH1 3.06Å; D853-R856 IonicContact OD1-NH2 3.95Å; D853-R856 PolarHBondContact OD1-NH2 3.26Å; D853-N857 WeakPolarHBondContact O-CB 3.35Å; D853-N857 PolarHBondContact O-N 3.1Å; D853-N857 PolarHBondContact O-ND2 3.04Å; D853-N857 PolarHBondContact O-OD1 3.06Å
854	V	80.7	Confident	71.4	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.024	37%	0.366	C	S	.	.	H	α-helix	trans	-55.6	-54.5	170.6	179.7	0	0	0	0	109.1	I747 L762 M763 N766 G850 L851 R856 N857 E858	I747-V854 HydrophobicContact CD1-CG1 3.78Å; L762-V854 HydrophobicContact CB-CG1 4.06Å; M763-V854 HydrophobicContact CG-CG2 4.32Å; N766-V854 HydrophobicContact CB-CG2 4.2Å; G850-V854 PolarHBondContact O-N 3.38Å; L851-V854 HydrophobicContact CD1-CB 4.39Å; L851-V854 PolarHBondContact O-N 3.4Å; V854-R856 PolarHBondContact O-N 2.87Å; V854-N857 PolarHBondContact O-N 3.43Å; V854-E858 WeakPolarHBondContact O-CG 3.3Å; V854-E858 PolarHBondContact O-N 2.76Å; V854-E858 VanDerWaalsContact O-N 3.07Å
855	Y	84	Confident	68.7	Low	51 Å²	51	65.6 Å²	65.6	20%	0.2	39%	0.394	C	S	.	.	H	α-helix	trans	-60.9	-42.1	179.3	-177.5	-96.2	0	0	0	112.7	I547 A549 L735 I747 L851 T859	I547-Y855 HydrophobicContact CG2-CD2 3.76Å; I547-Y855 HydrophobicContact CG2-CE2 3.85Å; A549-Y855 PolarHBondContact N-OH 3.4Å; A549-Y855 VanDerWaalsContact N-OH 3.13Å; L735-Y855 HydrophobicContact CD1-CD1 4.46Å; L735-Y855 HydrophobicContact CD1-CG 4.43Å; L735-Y855 HydrophobicContact CD2-CD2 4.31Å; L735-Y855 HydrophobicContact CD2-CG 4.22Å; I747-Y855 HydrophobicContact CD1-CD2 4.35Å; I747-Y855 HydrophobicContact CG2-CD2 3.85Å; I747-Y855 HydrophobicContact CG2-CE2 4.16Å; L851-Y855 WeakPolarHBondContact O-CB 3.49Å; L851-Y855 PolarHBondContact O-N 3.15Å; Y855-T859 HydrophobicContact CD1-CG2 4.41Å; Y855-T859 HydrophobicContact CD2-CG2 3.98Å; Y855-T859 HydrophobicContact CE1-CG2 4.12Å; Y855-T859 HydrophobicContact CE2-CG2 3.65Å; Y855-T859 HydrophobicContact CG-CG2 4.35Å; Y855-T859 WeakPolarHBondContact O-CB 3.06Å; Y855-T859 VanDerWaalsContact O-CG2 3.3Å; Y855-T859 WeakPolarHBondContact O-CG2 3.38Å; Y855-T859 PolarHBondContact O-N 3Å; Y855-T859 PolarHBondContact O-OG1 3.01Å
856	R	78.7	Confident	66	Low	91 Å²	91	73.1 Å²	73.1	34%	0.343	42%	0.42	S	S	.	.	H	α-helix	trans	-62.3	-46.6	177.7	-174.2	174.6	71.3	-132.7	-2.8	111.4	E852 D853 V854 M860	E852-R856 WeakPolarHBondContact O-CB 3.29Å; E852-R856 PolarHBondContact O-N 3.03Å; D853-R856 PolarHBondContact O-N 2.93Å; D853-R856 IonicContact OD1-CZ 2.6Å; D853-R856 IonicContact OD1-NH1 3.41Å; D853-R856 PolarHBondContact OD1-NH1 3.06Å; D853-R856 IonicContact OD1-NH2 3.95Å; D853-R856 PolarHBondContact OD1-NH2 3.26Å; V854-R856 PolarHBondContact O-N 2.87Å; R856-M860 HydrophobicContact CG-CE 4.3Å; R856-M860 HydrophobicContact CG-CG 4.01Å; R856-M860 VanDerWaalsContact O-CB 3.23Å; R856-M860 WeakPolarHBondContact O-CB 3.46Å; R856-M860 WeakPolarHBondContact O-CG 3.44Å; R856-M860 PolarHBondContact O-N 3.44Å
857	N	76.1	Confident	63.3	Low	65 Å²	65	79 Å²	79	35%	0.348	45%	0.446	S	S	.	.	H	α-helix	trans	-66.9	-37.6	-178	-64.9	-17	0	0	0	112.2	D853 V854	D853-N857 WeakPolarHBondContact O-CB 3.35Å; D853-N857 PolarHBondContact O-N 3.1Å; D853-N857 PolarHBondContact O-ND2 3.04Å; D853-N857 PolarHBondContact O-OD1 3.06Å; V854-N857 PolarHBondContact O-N 3.43Å
858	E	78.8	Confident	61.1	Low	61 Å²	61	86.5 Å²	86.5	29%	0.285	47%	0.467	S	S	.	.	H	α-helix	trans	-80.5	-23.2	-179.6	-64.7	-56.7	140.3	0	0	114.2	K754 N766 V854	K754-E858 HydrophobicContact CB-CB 4.16Å; N766-E858 WeakPolarHBondContact ND2-CG 3.44Å; N766-E858 PolarHBondContact ND2-OE1 3.11Å; V854-E858 WeakPolarHBondContact O-CG 3.3Å; V854-E858 PolarHBondContact O-N 2.76Å; V854-E858 VanDerWaalsContact O-N 3.07Å
859	T	77.2	Confident	59	Low	35 Å²	35	83.6 Å²	83.6	22%	0.215	46%	0.461	C	S	.	.	H	α-helix	trans	-100.7	-23.5	-177.6	61.2	0	0	0	0	114.6	I747 Y855	I747-T859 HydrophobicContact CG2-CG2 4.29Å; Y855-T859 HydrophobicContact CD1-CG2 4.41Å; Y855-T859 HydrophobicContact CD2-CG2 3.98Å; Y855-T859 HydrophobicContact CE1-CG2 4.12Å; Y855-T859 HydrophobicContact CE2-CG2 3.65Å; Y855-T859 HydrophobicContact CG-CG2 4.35Å; Y855-T859 WeakPolarHBondContact O-CB 3.06Å; Y855-T859 VanDerWaalsContact O-CG2 3.3Å; Y855-T859 WeakPolarHBondContact O-CG2 3.38Å; Y855-T859 PolarHBondContact O-N 3Å; Y855-T859 PolarHBondContact O-OG1 3.01Å
860	M	68.4	Low	57.1	Low	66 Å²	66	86.7 Å²	86.7	33%	0.325	48%	0.481	S	S	.	.	S	Bend	trans	-78	126.1	175.6	-70.9	-77.2	-176.1	0	0	110.7	R856	R856-M860 HydrophobicContact CG-CE 4.3Å; R856-M860 HydrophobicContact CG-CG 4.01Å; R856-M860 VanDerWaalsContact O-CB 3.23Å; R856-M860 WeakPolarHBondContact O-CB 3.46Å; R856-M860 WeakPolarHBondContact O-CG 3.44Å; R856-M860 PolarHBondContact O-N 3.44Å
861	P	58.5	Low	54.8	Low	90 Å²	90	96.2 Å²	96.2	58%	0.584	52%	0.517	S	S	*	.			trans	-64.9	145.9	162.2	29.5	-31.7	0	0	0	108.9	G863 S864	P861-G863 PolarHBondContact O-N 3.13Å; P861-S864 WeakPolarHBondContact CG-OG 3.47Å
862	T	45.7	Very low	52.2	Low	164 Å²	164	99.6 Å²	99.6	100%	1.006	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	34.6	-168	42.3	0	0	0	0	115.9
863	G	36.4	Very low	49.6	Very low	78 Å²	78	99.6 Å²	99.6	80%	0.804	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.6	21	-179.1	0	0	0	0	0	116.5	P861	P861-G863 PolarHBondContact O-N 3.13Å
864	S	32.7	Very low	47.1	Very low	61 Å²	61	102.7 Å²	102.7	43%	0.427	57%	0.573	S	S	.	*			trans	-133.5	49.8	-176.1	69.4	0	0	0	0	115	P861 E866	P861-S864 WeakPolarHBondContact CG-OG 3.47Å; S864-E866 VanDerWaalsContact C-N 3.31Å; S864-E866 PolarHBondContact O-N 3.24Å
865	A	32.9	Very low	44.4	Very low	97 Å²	97	106.4 Å²	106.4	80%	0.802	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-12.3	-170	0	0	0	0	0	116.8
866	E	28.6	Very low	41.6	Very low	190 Å²	190	106.6 Å²	106.6	89%	0.888	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	8.1	-159.6	-63.3	-173.6	145.4	0	0	117.2	S864	S864-E866 VanDerWaalsContact C-N 3.31Å; S864-E866 PolarHBondContact O-N 3.24Å
867	K	25.9	Very low	39.1	Very low	192 Å²	192	109.2 Å²	109.2	84%	0.835	64%	0.641	S	S	*	*	S	Bend	trans	-131.1	16.6	-164.5	-84.9	-171.7	177.7	176.2	0	120.2
868	Y	28.6	Very low	36.8	Very low	211 Å²	211	113.9 Å²	113.9	83%	0.827	67%	0.665	S	S	*	*			trans	-125.2	98.1	167.4	-95	-90.2	0	0	0	112.1
869	V	27.1	Very low	34.4	Very low	119 Å²	119	117.9 Å²	117.9	72%	0.721	68%	0.684	S	S	*	*			trans	-69.1	133.4	163.3	177	0	0	0	0	108.3	F871	V869-F871 PolarHBondContact O-N 3.39Å
870	S	27.7	Very low	31.9	Very low	76 Å²	76	125.6 Å²	125.6	53%	0.531	72%	0.717	S	S	.	*			trans	-58.5	121.6	-176.1	44.7	0	0	0	0	112.2	S872	S870-S872 PolarHBondContact O-N 3.33Å
871	F	25.8	Very low	30.1	Very low	223 Å²	223	129.1 Å²	129.1	98%	0.978	73%	0.732	S	S	*	*	S	Bend	trans	-81.5	39.6	172.4	-119.7	-88	0	0	0	112.1	V869	V869-F871 PolarHBondContact O-N 3.39Å
872	S	24.3	Very low	28.8	Very low	72 Å²	72	131.6 Å²	131.6	50%	0.503	74%	0.736	S	S	.	*	S	Bend	trans	-131.5	116.1	176	-172.6	0	0	0	0	109.3	S870 T874	S870-S872 PolarHBondContact O-N 3.33Å; S872-T874 PolarHBondContact O-N 3.16Å
873	S	26.2	Very low	28.2	Very low	121 Å²	121	128.6 Å²	128.6	85%	0.846	72%	0.72	S	S	*	*	S	Bend	trans	71.6	12.5	168.8	79.1	0	0	0	0	121.1	A875	S873-A875 PolarHBondContact O-N 3.41Å
874	T	25	Very low	28.2	Very low	89 Å²	89	132 Å²	132	55%	0.546	71%	0.714	S	S	.	*			trans	-91.9	59.8	175.4	39.1	0	0	0	0	114.9	S872 G876	S872-T874 PolarHBondContact O-N 3.16Å; T874-G876 PolarHBondContact O-N 3.07Å
875	A	24.3	Very low	28.4	Very low	83 Å²	83	135.8 Å²	135.8	69%	0.686	73%	0.725	S	S	*	*	S	Bend	trans	-71.4	76	163.5	0	0	0	0	0	111.1	K38 S873	K38-A875 PolarHBondContact NZ-O 2.92Å; S873-A875 PolarHBondContact O-N 3.41Å
876	G	24.1	Very low	28.5	Very low	55 Å²	55	137.5 Å²	137.5	57%	0.567	72%	0.717	S	S	*	*			trans	99.9	83.6	166.4	0	0	0	0	0	115.9	T874	T874-G876 PolarHBondContact O-N 3.07Å
877	I	26.8	Very low	28.9	Very low	145 Å²	145	133.5 Å²	133.5	74%	0.744	70%	0.701	S	S	*	*			trans	-125.2	113.9	137.1	-60.7	179.6	0	0	0	104.7
878	I	28.6	Very low	29.5	Very low	163 Å²	163	127.9 Å²	127.9	84%	0.836	68%	0.68	S	S	*	*			trans	-94.1	113.3	168.8	-65.3	170.9	0	0	0	104.6
879	E	27.8	Very low	30.1	Very low	146 Å²	146	120.4 Å²	120.4	68%	0.682	66%	0.662	S	S	*	*			trans	-73.3	134.2	165	-67.1	-174.8	152.3	0	0	108.2	H881	E879-H881 PolarHBondContact O-N 3Å
880	E	24.5	Very low	30.8	Very low	197 Å²	197	119.1 Å²	119.1	92%	0.921	65%	0.65	S	S	*	*			trans	-68	102.3	174.6	-69.4	179.6	135.2	0	0	108.6
881	H	30.6	Very low	31.2	Very low	139 Å²	139	119.4 Å²	119.4	64%	0.644	65%	0.645	S	S	*	*			trans	-114.5	153.5	169.3	-84.7	30	0	0	0	110.2	E879	E879-H881 PolarHBondContact O-N 3Å
882	Q	32	Very low	32	Very low	143 Å²	143	116.9 Å²	116.9	67%	0.668	63%	0.629	S	S	*	*			trans	-66.5	132.1	-160.7	-66.9	-179	-18.3	0	0	112.5	E884 E885	Q882-E884 PolarHBondContact O-N 3.16Å; Q882-E884 VanDerWaalsContact O-N 3.09Å; Q882-E885 PolarHBondContact O-N 3.48Å; Q882-E885 VanDerWaalsContact O-N 3.09Å
883	P	33.3	Very low	32.7	Very low	101 Å²	101	115.8 Å²	115.8	66%	0.656	62%	0.624	S	S	*	*	H	α-helix	trans	-66.1	-18.1	-171.8	25.8	-35.3	0	0	0	114.1	L887	P883-L887 WeakPolarHBondContact O-CB 3.45Å; P883-L887 PolarHBondContact O-N 3.11Å; P883-L887 VanDerWaalsContact O-N 3.1Å
884	E	35	Very low	33.2	Very low	149 Å²	149	114.5 Å²	114.5	70%	0.696	61%	0.605	S	S	*	*	H	α-helix	trans	-72.5	-30.7	175.6	-65.6	-165.1	150.3	0	0	112.9	Q882 N888	Q882-E884 PolarHBondContact O-N 3.16Å; Q882-E884 VanDerWaalsContact O-N 3.09Å; E884-N888 VanDerWaalsContact O-CB 3.31Å; E884-N888 WeakPolarHBondContact O-CB 3.48Å; E884-N888 PolarHBondContact O-N 3.43Å; E884-N888 PolarHBondContact O-ND2 2.95Å
885	E	38.3	Very low	33.6	Very low	140 Å²	140	115.6 Å²	115.6	65%	0.654	61%	0.607	S	S	*	*	H	α-helix	trans	-76.1	-39.5	177.2	-69.7	-154	130.2	0	0	111.7	Q882 N888 A889	Q882-E885 PolarHBondContact O-N 3.48Å; Q882-E885 VanDerWaalsContact O-N 3.09Å; E885-N888 PolarHBondContact O-N 3.25Å; E885-A889 VanDerWaalsContact O-CB 3.29Å; E885-A889 WeakPolarHBondContact O-CB 3.49Å; E885-A889 PolarHBondContact O-N 3.41Å
886	E	33.2	Very low	34.3	Very low	134 Å²	134	113.8 Å²	113.8	63%	0.626	59%	0.592	S	S	*	*	H	α-helix	trans	-61.1	-46.8	171.3	-75	-161.7	137.9	0	0	111.4	N888 A889 I890	E886-N888 VanDerWaalsContact C-N 3.32Å; E886-N888 PolarHBondContact O-N 3.34Å; E886-A889 PolarHBondContact O-N 3.44Å; E886-A889 VanDerWaalsContact O-N 3.14Å; E886-I890 WeakPolarHBondContact O-CB 3.49Å; E886-I890 WeakPolarHBondContact O-CD1 3.49Å; E886-I890 VanDerWaalsContact O-CG1 3.23Å; E886-I890 WeakPolarHBondContact O-CG1 3.23Å; E886-I890 PolarHBondContact O-N 3.18Å
887	L	37.5	Very low	34.8	Very low	105 Å²	105	117.2 Å²	117.2	55%	0.55	59%	0.591	S	S	.	*	H	α-helix	trans	-62	-40.6	178.8	-172.9	65.7	0	0	0	111.7	P883 L891	P883-L887 WeakPolarHBondContact O-CB 3.45Å; P883-L887 PolarHBondContact O-N 3.11Å; P883-L887 VanDerWaalsContact O-N 3.1Å; L887-L891 HydrophobicContact CG-CD1 4.22Å; L887-L891 WeakPolarHBondContact O-CB 3.42Å; L887-L891 WeakPolarHBondContact O-CG 3.37Å; L887-L891 PolarHBondContact O-N 3.37Å
888	N	39.6	Very low	35.1	Very low	75 Å²	75	112.9 Å²	112.9	40%	0.401	57%	0.574	S	S	.	*	H	α-helix	trans	-68.7	-34.4	174.3	-82.5	-63.9	0	0	0	112.9	E884 E885 E886 R892	E884-N888 VanDerWaalsContact O-CB 3.31Å; E884-N888 WeakPolarHBondContact O-CB 3.48Å; E884-N888 PolarHBondContact O-N 3.43Å; E884-N888 PolarHBondContact O-ND2 2.95Å; E885-N888 PolarHBondContact O-N 3.25Å; E886-N888 VanDerWaalsContact C-N 3.32Å; E886-N888 PolarHBondContact O-N 3.34Å; N888-R892 VanDerWaalsContact O-CB 3.32Å; N888-R892 WeakPolarHBondContact O-CB 3.35Å; N888-R892 WeakPolarHBondContact O-CD 3.43Å; N888-R892 WeakPolarHBondContact O-CG 3.46Å; N888-R892 PolarHBondContact O-N 3.26Å
889	A	41.1	Very low	35.5	Very low	53 Å²	53	107.7 Å²	107.7	44%	0.438	55%	0.552	S	S	.	*	H	α-helix	trans	-68.7	-42.1	174.4	0	0	0	0	0	111.6	E885 E886 R892 A893	E885-A889 VanDerWaalsContact O-CB 3.29Å; E885-A889 WeakPolarHBondContact O-CB 3.49Å; E885-A889 PolarHBondContact O-N 3.41Å; E886-A889 PolarHBondContact O-N 3.44Å; E886-A889 VanDerWaalsContact O-N 3.14Å; A889-R892 PolarHBondContact O-N 3.29Å; A889-A893 VanDerWaalsContact O-CB 3.28Å; A889-A893 WeakPolarHBondContact O-CB 3.48Å; A889-A893 PolarHBondContact O-N 3.1Å
890	I	40.4	Very low	35.9	Very low	93 Å²	93	107.1 Å²	107.1	48%	0.477	55%	0.549	S	S	.	.	H	α-helix	trans	-63.1	-47.6	174.9	-68.6	163.1	0	0	0	110.3	E886 R892 A893 Q894	E886-I890 WeakPolarHBondContact O-CB 3.49Å; E886-I890 WeakPolarHBondContact O-CD1 3.49Å; E886-I890 VanDerWaalsContact O-CG1 3.23Å; E886-I890 WeakPolarHBondContact O-CG1 3.23Å; E886-I890 PolarHBondContact O-N 3.18Å; I890-R892 PolarHBondContact O-N 3.33Å; I890-A893 PolarHBondContact O-N 3.46Å; I890-Q894 WeakPolarHBondContact O-CB 3.21Å; I890-Q894 WeakPolarHBondContact O-CG 3.33Å; I890-Q894 PolarHBondContact O-N 3.03Å
891	L	37.3	Very low	36.4	Very low	81 Å²	81	99.7 Å²	99.7	42%	0.424	52%	0.521	S	S	.	.	H	α-helix	trans	-61.6	-42.8	175.6	-84	163.9	0	0	0	112.5	L887 A893 Q894 L895	L887-L891 HydrophobicContact CG-CD1 4.22Å; L887-L891 WeakPolarHBondContact O-CB 3.42Å; L887-L891 WeakPolarHBondContact O-CG 3.37Å; L887-L891 PolarHBondContact O-N 3.37Å; L891-A893 VanDerWaalsContact C-N 3.35Å; L891-Q894 PolarHBondContact O-N 3.43Å; L891-L895 WeakPolarHBondContact O-CB 3.49Å; L891-L895 WeakPolarHBondContact O-CG 3.44Å; L891-L895 PolarHBondContact O-N 3.4Å
892	R	41.1	Very low	36.7	Very low	171 Å²	171	96.8 Å²	96.8	65%	0.645	51%	0.51	S	S	*	.	H	α-helix	trans	-64.5	-38	174.3	-73.9	170.5	-161.9	157.8	8.1	111.9	N888 A889 I890 L895 A896	N888-R892 VanDerWaalsContact O-CB 3.32Å; N888-R892 WeakPolarHBondContact O-CB 3.35Å; N888-R892 WeakPolarHBondContact O-CD 3.43Å; N888-R892 WeakPolarHBondContact O-CG 3.46Å; N888-R892 PolarHBondContact O-N 3.26Å; A889-R892 PolarHBondContact O-N 3.29Å; I890-R892 PolarHBondContact O-N 3.33Å; R892-L895 PolarHBondContact O-N 3.44Å; R892-A896 VanDerWaalsContact O-CB 3.25Å; R892-A896 WeakPolarHBondContact O-CB 3.08Å; R892-A896 PolarHBondContact O-N 3.37Å
893	A	39.1	Very low	36.9	Very low	49 Å²	49	94.5 Å²	94.5	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-69.9	-35.8	176.5	0	0	0	0	0	112.4	A889 I890 L891 K897	A889-A893 VanDerWaalsContact O-CB 3.28Å; A889-A893 WeakPolarHBondContact O-CB 3.48Å; A889-A893 PolarHBondContact O-N 3.1Å; I890-A893 PolarHBondContact O-N 3.46Å; L891-A893 VanDerWaalsContact C-N 3.35Å; A893-K897 WeakPolarHBondContact O-CB 3.32Å; A893-K897 VanDerWaalsContact O-CG 3.26Å; A893-K897 WeakPolarHBondContact O-CG 3.42Å; A893-K897 PolarHBondContact O-N 3.42Å
894	Q	36.7	Very low	37.3	Very low	93 Å²	93	92.1 Å²	92.1	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-68.8	-43.5	172.2	-75.5	174	-58.1	0	0	111.4	I890 L891 K897 S898	I890-Q894 WeakPolarHBondContact O-CB 3.21Å; I890-Q894 WeakPolarHBondContact O-CG 3.33Å; I890-Q894 PolarHBondContact O-N 3.03Å; L891-Q894 PolarHBondContact O-N 3.43Å; Q894-K897 PolarHBondContact O-N 3.23Å; Q894-S898 WeakPolarHBondContact O-CB 3.39Å; Q894-S898 PolarHBondContact O-N 3.26Å; Q894-S898 PolarHBondContact O-OG 3.01Å
895	L	35	Very low	37.5	Very low	113 Å²	113	86.4 Å²	86.4	59%	0.592	46%	0.461	S	S	*	.	H	α-helix	trans	-62.2	-45.2	174.7	-82.9	160.9	0	0	0	112.1	L891 R892 S898 S899	L891-L895 WeakPolarHBondContact O-CB 3.49Å; L891-L895 WeakPolarHBondContact O-CG 3.44Å; L891-L895 PolarHBondContact O-N 3.4Å; R892-L895 PolarHBondContact O-N 3.44Å; L895-S898 WeakPolarHBondContact CA-OG 3.35Å; L895-S898 PolarHBondContact O-N 3.42Å; L895-S898 PolarHBondContact O-OG 3.03Å; L895-S899 PolarHBondContact O-N 2.99Å
896	A	38.2	Very low	37.5	Very low	45 Å²	45	85.6 Å²	85.6	37%	0.372	46%	0.456	S	S	.	.	H	α-helix	trans	-63	-43.2	176.4	0	0	0	0	0	112.2	R892 S898 S899 E900	R892-A896 VanDerWaalsContact O-CB 3.25Å; R892-A896 WeakPolarHBondContact O-CB 3.08Å; R892-A896 PolarHBondContact O-N 3.37Å; A896-S898 VanDerWaalsContact C-N 3.29Å; A896-S898 PolarHBondContact O-N 3.47Å; A896-S899 PolarHBondContact O-N 3.36Å; A896-S899 PolarHBondContact O-OG 3.08Å; A896-S899 VanDerWaalsContact O-OG 3.04Å; A896-E900 WeakPolarHBondContact O-CG 3.35Å; A896-E900 PolarHBondContact O-N 3.31Å
897	K	35.4	Very low	37.9	Very low	127 Å²	127	82.6 Å²	82.6	55%	0.552	45%	0.449	S	S	*	.	H	α-helix	trans	-62.2	-36.1	172.8	-75.9	175.2	178.8	-177.3	0	112.4	A893 Q894 A901	A893-K897 WeakPolarHBondContact O-CB 3.32Å; A893-K897 VanDerWaalsContact O-CG 3.26Å; A893-K897 WeakPolarHBondContact O-CG 3.42Å; A893-K897 PolarHBondContact O-N 3.42Å; Q894-K897 PolarHBondContact O-N 3.23Å; K897-A901 WeakPolarHBondContact O-CB 3.45Å; K897-A901 PolarHBondContact O-N 3.41Å
898	S	33.2	Very low	38.3	Very low	54 Å²	54	81 Å²	81	38%	0.378	44%	0.438	S	S	.	.	H	α-helix	trans	-71.6	-32.7	175.7	72	0	0	0	0	113.1	Q894 L895 A896 L902	Q894-S898 WeakPolarHBondContact O-CB 3.39Å; Q894-S898 PolarHBondContact O-N 3.26Å; Q894-S898 PolarHBondContact O-OG 3.01Å; L895-S898 WeakPolarHBondContact CA-OG 3.35Å; L895-S898 PolarHBondContact O-N 3.42Å; L895-S898 PolarHBondContact O-OG 3.03Å; A896-S898 VanDerWaalsContact C-N 3.29Å; A896-S898 PolarHBondContact O-N 3.47Å; S898-L902 WeakPolarHBondContact O-CB 3.3Å; S898-L902 PolarHBondContact O-N 3.47Å
899	S	35.4	Very low	38.5	Very low	53 Å²	53	80.5 Å²	80.5	37%	0.371	44%	0.435	S	S	.	.	H	α-helix	trans	-74.3	-39.2	173.1	71.9	0	0	0	0	111.9	L895 A896 A901 L902 D903	L895-S899 PolarHBondContact O-N 2.99Å; A896-S899 PolarHBondContact O-N 3.36Å; A896-S899 PolarHBondContact O-OG 3.08Å; A896-S899 VanDerWaalsContact O-OG 3.04Å; S899-A901 VanDerWaalsContact C-N 3.3Å; S899-A901 PolarHBondContact O-N 3.25Å; S899-L902 PolarHBondContact O-N 2.9Å; S899-D903 WeakPolarHBondContact O-CB 3.49Å; S899-D903 VanDerWaalsContact O-CG 3.28Å; S899-D903 PolarHBondContact O-N 3.41Å
900	E	36.8	Very low	38.7	Very low	134 Å²	134	84.7 Å²	84.7	63%	0.626	45%	0.445	S	S	*	.	H	α-helix	trans	-61.2	-38.9	172.1	-74.4	178.9	161.8	0	0	111.7	A896 S904	A896-E900 WeakPolarHBondContact O-CG 3.35Å; A896-E900 PolarHBondContact O-N 3.31Å; E900-S904 WeakPolarHBondContact O-CB 3.31Å; E900-S904 PolarHBondContact O-N 2.88Å; E900-S904 PolarHBondContact O-OG 3.43Å
901	A	35.2	Very low	38.9	Very low	41 Å²	41	82.8 Å²	82.8	34%	0.339	44%	0.436	S	S	.	.	H	α-helix	trans	-62	-49.1	172.4	0	0	0	0	0	111.5	K897 S899 S904 F905	K897-A901 WeakPolarHBondContact O-CB 3.45Å; K897-A901 PolarHBondContact O-N 3.41Å; S899-A901 VanDerWaalsContact C-N 3.3Å; S899-A901 PolarHBondContact O-N 3.25Å; A901-S904 PolarHBondContact O-N 2.94Å; A901-S904 PolarHBondContact O-OG 3.36Å; A901-F905 VanDerWaalsContact O-CB 3.26Å; A901-F905 WeakPolarHBondContact O-CB 3.49Å; A901-F905 PolarHBondContact O-N 2.91Å
902	L	37.8	Very low	39.4	Very low	78 Å²	78	80 Å²	80	41%	0.408	43%	0.425	S	S	.	.	H	α-helix	trans	-61.5	-42.5	176.4	-86.6	161.5	0	0	0	113.2	S898 S899 F905 F906	S898-L902 WeakPolarHBondContact O-CB 3.3Å; S898-L902 PolarHBondContact O-N 3.47Å; S899-L902 PolarHBondContact O-N 2.9Å; L902-F905 WeakPolarHBondContact O-CB 3.37Å; L902-F905 PolarHBondContact O-N 3.12Å; L902-F905 VanDerWaalsContact O-N 3.16Å; L902-F906 HydrophobicContact CD2-CE2 4.16Å; L902-F906 WeakPolarHBondContact O-CD2 3.26Å; L902-F906 PolarHBondContact O-N 2.93Å
903	D	36	Very low	39.7	Very low	95 Å²	95	75 Å²	75	51%	0.508	41%	0.414	S	S	.	.	H	α-helix	trans	-67.2	-39.3	178.2	-72.1	-26.9	0	0	0	110.9	S899 F905 S907	S899-D903 WeakPolarHBondContact O-CB 3.49Å; S899-D903 VanDerWaalsContact O-CG 3.28Å; S899-D903 PolarHBondContact O-N 3.41Å; D903-F905 VanDerWaalsContact C-N 3.27Å; D903-F905 PolarHBondContact O-N 3.28Å; D903-S907 PolarHBondContact O-N 2.94Å; D903-S907 VanDerWaalsContact O-N 3.07Å
904	S	40.5	Very low	40.2	Very low	51 Å²	51	78 Å²	78	36%	0.357	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-31	171.8	84.4	0	0	0	0	112.6	E900 A901 S907 K908	E900-S904 WeakPolarHBondContact O-CB 3.31Å; E900-S904 PolarHBondContact O-N 2.88Å; E900-S904 PolarHBondContact O-OG 3.43Å; A901-S904 PolarHBondContact O-N 2.94Å; A901-S904 PolarHBondContact O-OG 3.36Å; S904-S907 WeakPolarHBondContact O-CB 3.38Å; S904-K908 WeakPolarHBondContact O-CG 3.43Å; S904-K908 PolarHBondContact O-N 3.29Å
905	F	39.4	Very low	40.9	Very low	29 Å²	29	76.5 Å²	76.5	13%	0.127	42%	0.415	C	S	.	.	H	α-helix	trans	-73.6	-45.1	177.9	175.6	-91.9	0	0	0	111.2	A901 L902 D903 S907 K908 L909 F1055 F1085	A901-F905 VanDerWaalsContact O-CB 3.26Å; A901-F905 WeakPolarHBondContact O-CB 3.49Å; A901-F905 PolarHBondContact O-N 2.91Å; L902-F905 WeakPolarHBondContact O-CB 3.37Å; L902-F905 PolarHBondContact O-N 3.12Å; L902-F905 VanDerWaalsContact O-N 3.16Å; D903-F905 VanDerWaalsContact C-N 3.27Å; D903-F905 PolarHBondContact O-N 3.28Å; F905-S907 VanDerWaalsContact C-N 3.28Å; F905-S907 PolarHBondContact O-N 3.28Å; F905-K908 CarbonylContact O-C 3.47Å; F905-K908 PolarHBondContact O-N 2.82Å; F905-L909 HydrophobicContact CD1-CD1 4.08Å; F905-L909 HydrophobicContact CE1-CD1 3.26Å; F905-L909 HydrophobicContact CZ-CD1 3.61Å; F905-L909 PolarHBondContact O-N 3.33Å; F905-F1055 HydrophobicContact CD2-CD2 4.11Å; F905-F1055 HydrophobicContact CD2-CE2 4.37Å; F905-F1085 HydrophobicContact CD1-CZ 4.2Å; F905-F1085 AromaticContact CE1-CE1 3.67Å; F905-F1085 HydrophobicContact CE1-CE1 3.67Å; F905-F1085 AromaticContact CE1-CZ 3.48Å; F905-F1085 HydrophobicContact CE1-CZ 3.48Å; F905-F1085 VanDerWaalsContact CE1-CZ 3.48Å; F905-F1085 HydrophobicContact CE2-CE1 4.03Å; F905-F1085 AromaticContact CZ-CE1 3.36Å; F905-F1085 HydrophobicContact CZ-CE1 3.36Å; F905-F1085 AromaticContact CZ-CZ 3.73Å; F905-F1085 HydrophobicContact CZ-CZ 3.73Å
906	F	38.9	Very low	41.6	Very low	124 Å²	124	74.8 Å²	74.8	54%	0.544	41%	0.405	S	S	.	.	H	α-helix	trans	-61.5	-35.7	172.4	-75.6	-62.6	0	0	0	112.3	L902 K908 L909	L902-F906 HydrophobicContact CD2-CE2 4.16Å; L902-F906 WeakPolarHBondContact O-CD2 3.26Å; L902-F906 PolarHBondContact O-N 2.93Å; F906-K908 VanDerWaalsContact C-N 3.26Å; F906-K908 PolarHBondContact O-N 3.4Å; F906-L909 WeakPolarHBondContact O-CB 3.29Å; F906-L909 PolarHBondContact O-N 3.5Å
907	S	41.7	Very low	42.2	Very low	70 Å²	70	77.2 Å²	77.2	49%	0.49	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-31.6	171.5	-178.8	0	0	0	0	113.3	I382 D903 S904 F905	I382-S907 WeakPolarHBondContact CD1-O 3.47Å; D903-S907 PolarHBondContact O-N 2.94Å; D903-S907 VanDerWaalsContact O-N 3.07Å; S904-S907 WeakPolarHBondContact O-CB 3.38Å; F905-S907 VanDerWaalsContact C-N 3.28Å; F905-S907 PolarHBondContact O-N 3.28Å
908	K	46.4	Very low	43	Very low	73 Å²	73	74 Å²	74	32%	0.317	40%	0.401	S	S	.	.	H	α-helix	trans	-88.1	-13.4	177.9	-72.1	166.8	175.7	173.6	0	112.8	S904 F905 F906 E910 D911 E1058	S904-K908 WeakPolarHBondContact O-CG 3.43Å; S904-K908 PolarHBondContact O-N 3.29Å; F905-K908 CarbonylContact O-C 3.47Å; F905-K908 PolarHBondContact O-N 2.82Å; F906-K908 VanDerWaalsContact C-N 3.26Å; F906-K908 PolarHBondContact O-N 3.4Å; K908-E910 PolarHBondContact O-N 2.91Å; K908-D911 WeakPolarHBondContact O-CB 3.32Å; K908-D911 PolarHBondContact O-N 3.38Å; K908-E1058 IonicContact NZ-OE1 2.61Å; K908-E1058 PolarHBondContact NZ-OE1 3.37Å; K908-E1058 IonicContact NZ-OE2 2.95Å; K908-E1058 PolarHBondContact NZ-OE2 2.75Å
909	L	43.1	Very low	43.7	Very low	64 Å²	64	72.7 Å²	72.7	34%	0.335	39%	0.392	S	S	.	.	H	α-helix	trans	-69	-17.8	178.4	-145.1	117.5	0	0	0	112.8	F905 F906 D911 A912 V913	F905-L909 HydrophobicContact CD1-CD1 4.08Å; F905-L909 HydrophobicContact CE1-CD1 3.26Å; F905-L909 HydrophobicContact CZ-CD1 3.61Å; F905-L909 PolarHBondContact O-N 3.33Å; F906-L909 WeakPolarHBondContact O-CB 3.29Å; F906-L909 PolarHBondContact O-N 3.5Å; L909-D911 PolarHBondContact O-N 2.91Å; L909-A912 HydrophobicContact CG-CB 4.45Å; L909-A912 WeakPolarHBondContact O-CB 3.37Å; L909-A912 PolarHBondContact O-N 3.35Å; L909-V913 WeakPolarHBondContact O-CG2 3.46Å; L909-V913 PolarHBondContact O-N 2.86Å; L909-V913 VanDerWaalsContact O-N 3.1Å
910	E	45.3	Very low	44.4	Very low	140 Å²	140	72.7 Å²	72.7	65%	0.654	40%	0.396	S	S	*	.	H	α-helix	trans	-55.3	-32.2	170	-65.7	-165.7	150.1	0	0	112	K908 V913 L914	K908-E910 PolarHBondContact O-N 2.91Å; E910-V913 PolarHBondContact O-N 2.84Å; E910-L914 PolarHBondContact O-N 2.84Å
911	D	45.4	Very low	45.1	Very low	53 Å²	53	71.8 Å²	71.8	28%	0.283	40%	0.395	S	S	.	.	H	α-helix	trans	-69.8	-35.9	175.6	-66.5	-29.7	0	0	0	112.4	I382 K908 L909 H915	I382-D911 WeakPolarHBondContact CG2-OD1 3.48Å; I382-D911 WeakPolarHBondContact CG2-OD2 3.47Å; K908-D911 WeakPolarHBondContact O-CB 3.32Å; K908-D911 PolarHBondContact O-N 3.38Å; L909-D911 PolarHBondContact O-N 2.91Å; D911-H915 PolarHBondContact O-ND1 2.94Å
912	A	46.3	Very low	45.7	Very low	22 Å²	22	71.6 Å²	71.6	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-69	-37.1	175.5	0	0	0	0	0	111.1	L909 L914 H915 I916	L909-A912 HydrophobicContact CG-CB 4.45Å; L909-A912 WeakPolarHBondContact O-CB 3.37Å; L909-A912 PolarHBondContact O-N 3.35Å; A912-L914 VanDerWaalsContact C-N 3.3Å; A912-L914 PolarHBondContact O-N 3.35Å; A912-H915 PolarHBondContact O-N 3.01Å; A912-H915 VanDerWaalsContact O-N 3.14Å; A912-I916 VanDerWaalsContact O-CG1 3.32Å; A912-I916 WeakPolarHBondContact O-CG1 3.38Å; A912-I916 PolarHBondContact O-N 2.89Å
913	V	48.4	Very low	46.2	Very low	68 Å²	68	71.5 Å²	71.5	41%	0.412	39%	0.387	S	S	.	.	H	α-helix	trans	-60.1	-38	177.5	174.3	0	0	0	0	111.8	L909 E910 H915 I916 L917	L909-V913 WeakPolarHBondContact O-CG2 3.46Å; L909-V913 PolarHBondContact O-N 2.86Å; L909-V913 VanDerWaalsContact O-N 3.1Å; E910-V913 PolarHBondContact O-N 2.84Å; V913-H915 VanDerWaalsContact C-N 3.33Å; V913-H915 PolarHBondContact O-N 3.36Å; V913-I916 PolarHBondContact O-N 3.43Å; V913-L917 HydrophobicContact CG1-CD1 3.94Å; V913-L917 HydrophobicContact CG1-CG 4.36Å; V913-L917 WeakPolarHBondContact O-CB 3.39Å; V913-L917 VanDerWaalsContact O-CG 3.25Å; V913-L917 WeakPolarHBondContact O-CG 3.4Å; V913-L917 PolarHBondContact O-N 2.88Å
914	L	49.8	Very low	46.8	Very low	111 Å²	111	72.6 Å²	72.6	58%	0.581	39%	0.389	S	S	*	.	H	α-helix	trans	-62.3	-39.4	176.1	-173.4	65.6	0	0	0	112.4	E910 A912 L917 L918	E910-L914 PolarHBondContact O-N 2.84Å; A912-L914 VanDerWaalsContact C-N 3.3Å; A912-L914 PolarHBondContact O-N 3.35Å; L914-L917 PolarHBondContact O-N 3.4Å; L914-L918 PolarHBondContact O-N 3.45Å
915	H	50.4	Low	47	Very low	62 Å²	62	73 Å²	73	29%	0.287	40%	0.395	S	S	.	.	H	α-helix	trans	-77.4	-34	-179.8	-64.2	91.2	0	0	0	112.3	D911 A912 V913 L917 L918 A919	D911-H915 PolarHBondContact O-ND1 2.94Å; A912-H915 PolarHBondContact O-N 3.01Å; A912-H915 VanDerWaalsContact O-N 3.14Å; V913-H915 VanDerWaalsContact C-N 3.33Å; V913-H915 PolarHBondContact O-N 3.36Å; H915-L917 VanDerWaalsContact C-N 3.34Å; H915-L918 PolarHBondContact O-N 3.38Å; H915-A919 WeakPolarHBondContact O-CB 3.39Å; H915-A919 PolarHBondContact O-N 3.42Å
916	I	49.2	Very low	47.3	Very low	76 Å²	76	71.9 Å²	71.9	39%	0.39	39%	0.391	S	S	.	.	H	α-helix	trans	-61.1	-43.8	168	-69	163	0	0	0	110.4	A912 V913 A919 A920 L1093	A912-I916 VanDerWaalsContact O-CG1 3.32Å; A912-I916 WeakPolarHBondContact O-CG1 3.38Å; A912-I916 PolarHBondContact O-N 2.89Å; V913-I916 PolarHBondContact O-N 3.43Å; I916-A919 PolarHBondContact O-N 3.4Å; I916-A920 VanDerWaalsContact O-CB 3.27Å; I916-A920 WeakPolarHBondContact O-CB 3.5Å; I916-A920 PolarHBondContact O-N 2.92Å; I916-L1093 HydrophobicContact CD1-CD1 3.96Å; I916-L1093 HydrophobicContact CG1-CD1 3.68Å; I916-L1093 HydrophobicContact CG1-CG 4.46Å
917	L	52	Low	47.4	Very low	96 Å²	96	69.1 Å²	69.1	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-63.8	-39.6	174.7	-74.9	167.3	0	0	0	112	V913 L914 H915 A920 L921	V913-L917 HydrophobicContact CG1-CD1 3.94Å; V913-L917 HydrophobicContact CG1-CG 4.36Å; V913-L917 WeakPolarHBondContact O-CB 3.39Å; V913-L917 VanDerWaalsContact O-CG 3.25Å; V913-L917 WeakPolarHBondContact O-CG 3.4Å; V913-L917 PolarHBondContact O-N 2.88Å; L914-L917 PolarHBondContact O-N 3.4Å; H915-L917 VanDerWaalsContact C-N 3.34Å; L917-A920 PolarHBondContact O-N 2.88Å; L917-L921 WeakPolarHBondContact O-CB 3.31Å; L917-L921 WeakPolarHBondContact O-CD1 3.48Å; L917-L921 VanDerWaalsContact O-CG 3.23Å; L917-L921 WeakPolarHBondContact O-CG 3.48Å; L917-L921 PolarHBondContact O-N 3.43Å
918	L	51.6	Low	47.3	Very low	61 Å²	61	71.7 Å²	71.7	32%	0.319	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-44.5	176.4	-151.2	82.7	0	0	0	111.8	L914 H915 L921 C922 L1043	L914-L918 PolarHBondContact O-N 3.45Å; H915-L918 PolarHBondContact O-N 3.38Å; L918-L921 PolarHBondContact O-N 3.46Å; L918-C922 PolarHBondContact O-N 3.41Å; L918-C922 PolarHBondContact O-SG 3.17Å; L918-L1043 HydrophobicContact CD2-CD2 4.2Å
919	A	48.4	Very low	47	Very low	25 Å²	25	73.9 Å²	73.9	21%	0.207	40%	0.398	C	S	.	.	H	α-helix	trans	-61.4	-45.2	174.5	0	0	0	0	0	111.5	H915 I916 L921 C922 F923 A1044	H915-A919 WeakPolarHBondContact O-CB 3.39Å; H915-A919 PolarHBondContact O-N 3.42Å; I916-A919 PolarHBondContact O-N 3.4Å; A919-L921 PolarHBondContact O-N 3.49Å; A919-C922 PolarHBondContact O-N 3.16Å; A919-F923 WeakPolarHBondContact O-CB 3.29Å; A919-F923 PolarHBondContact O-N 3.37Å; A919-A1044 HydrophobicContact CB-CB 3.77Å
920	A	49	Very low	46.5	Very low	53 Å²	53	78 Å²	78	44%	0.438	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-37.9	175.9	0	0	0	0	0	112.4	I916 L917 F923 H924	I916-A920 VanDerWaalsContact O-CB 3.27Å; I916-A920 WeakPolarHBondContact O-CB 3.5Å; I916-A920 PolarHBondContact O-N 2.92Å; L917-A920 PolarHBondContact O-N 2.88Å; A920-F923 PolarHBondContact O-N 3.19Å; A920-H924 VanDerWaalsContact O-CB 3.23Å; A920-H924 WeakPolarHBondContact O-CB 3.5Å; A920-H924 PolarHBondContact O-N 2.98Å
921	L	52.5	Low	45.9	Very low	116 Å²	116	76.1 Å²	76.1	61%	0.607	42%	0.415	S	S	*	.	H	α-helix	trans	-63	-46.3	174.3	-80.1	163	0	0	0	111.5	L917 L918 A919 F923 H924 A925	L917-L921 WeakPolarHBondContact O-CB 3.31Å; L917-L921 WeakPolarHBondContact O-CD1 3.48Å; L917-L921 VanDerWaalsContact O-CG 3.23Å; L917-L921 WeakPolarHBondContact O-CG 3.48Å; L917-L921 PolarHBondContact O-N 3.43Å; L918-L921 PolarHBondContact O-N 3.46Å; A919-L921 PolarHBondContact O-N 3.49Å; L921-F923 PolarHBondContact O-N 3.06Å; L921-H924 PolarHBondContact O-N 3.43Å; L921-A925 VanDerWaalsContact O-CB 3.31Å; L921-A925 WeakPolarHBondContact O-CB 3.31Å; L921-A925 PolarHBondContact O-N 3.41Å
922	C	48.6	Very low	45.2	Very low	36 Å²	36	79.3 Å²	79.3	24%	0.243	44%	0.439	C	S	.	.	H	α-helix	trans	-59.2	-45.1	173.4	-69.8	0	0	0	0	111.8	L918 A919 H924 A925 S926	L918-C922 PolarHBondContact O-N 3.41Å; L918-C922 PolarHBondContact O-SG 3.17Å; A919-C922 PolarHBondContact O-N 3.16Å; C922-H924 VanDerWaalsContact C-N 3.35Å; C922-H924 PolarHBondContact O-N 3.12Å; C922-A925 PolarHBondContact O-N 3.02Å; C922-S926 PolarHBondContact O-N 2.9Å; C922-S926 VanDerWaalsContact O-N 3.12Å
923	F	48	Very low	44.4	Very low	76 Å²	76	88.4 Å²	88.4	33%	0.333	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-37.5	177.9	-140.6	-91.8	0	0	0	112.3	A919 A920 L921 N927	A919-F923 WeakPolarHBondContact O-CB 3.29Å; A919-F923 PolarHBondContact O-N 3.37Å; A920-F923 PolarHBondContact O-N 3.19Å; L921-F923 PolarHBondContact O-N 3.06Å; F923-N927 WeakPolarHBondContact CD1-ND2 3.5Å; F923-N927 WeakPolarHBondContact O-CB 3.49Å; F923-N927 PolarHBondContact O-N 3.26Å; F923-N927 VanDerWaalsContact O-N 3.16Å; F923-N927 PolarHBondContact O-ND2 3.36Å
924	H	46.9	Very low	43.4	Very low	119 Å²	119	96.3 Å²	96.3	55%	0.551	49%	0.492	S	S	*	.	H	α-helix	trans	-76.6	-34.9	-179.3	-156.4	-21.2	0	0	0	112.2	A920 L921 C922 N927 K928	A920-H924 VanDerWaalsContact O-CB 3.23Å; A920-H924 WeakPolarHBondContact O-CB 3.5Å; A920-H924 PolarHBondContact O-N 2.98Å; L921-H924 PolarHBondContact O-N 3.43Å; C922-H924 VanDerWaalsContact C-N 3.35Å; C922-H924 PolarHBondContact O-N 3.12Å; H924-N927 PolarHBondContact O-N 3.33Å; H924-K928 PolarHBondContact O-N 3.09Å
925	A	45	Very low	42.3	Very low	60 Å²	60	99.8 Å²	99.8	50%	0.496	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-47.3	172.5	0	0	0	0	0	111.4	L921 C922 N927 K928	L921-A925 VanDerWaalsContact O-CB 3.31Å; L921-A925 WeakPolarHBondContact O-CB 3.31Å; L921-A925 PolarHBondContact O-N 3.41Å; C922-A925 PolarHBondContact O-N 3.02Å; A925-N927 VanDerWaalsContact C-N 3.32Å; A925-N927 PolarHBondContact O-N 3.13Å; A925-K928 PolarHBondContact O-N 3.39Å
926	S	46	Very low	41.2	Very low	5 Å²	5	103.8 Å²	103.8	4%	0.035	53%	0.528	C	S	.	.	H	α-helix	trans	-59.8	-42.4	173.6	178.9	0	0	0	0	111.9	C922 K928 I929 R1033 E1037	C922-S926 PolarHBondContact O-N 2.9Å; C922-S926 VanDerWaalsContact O-N 3.12Å; S926-K928 VanDerWaalsContact C-N 3.32Å; S926-K928 PolarHBondContact O-N 3.2Å; S926-I929 PolarHBondContact O-N 2.93Å; S926-R1033 PolarHBondContact O-NH2 3.39Å; S926-R1033 WeakPolarHBondContact OG-CG 3.3Å; S926-R1033 PolarHBondContact OG-NE 3.35Å; S926-E1037 VanDerWaalsContact CB-OE1 3.28Å; S926-E1037 WeakPolarHBondContact CB-OE1 3.5Å; S926-E1037 PolarHBondContact OG-OE1 3.01Å
927	N	41.3	Very low	39.9	Very low	66 Å²	66	111.8 Å²	111.8	35%	0.353	55%	0.554	S	S	.	*	H	α-helix	trans	-69.7	-21.5	-175.2	-88.8	-74.8	0	0	0	115.2	F923 H924 A925	F923-N927 WeakPolarHBondContact CD1-ND2 3.5Å; F923-N927 WeakPolarHBondContact O-CB 3.49Å; F923-N927 PolarHBondContact O-N 3.26Å; F923-N927 VanDerWaalsContact O-N 3.16Å; F923-N927 PolarHBondContact O-ND2 3.36Å; H924-N927 PolarHBondContact O-N 3.33Å; A925-N927 VanDerWaalsContact C-N 3.32Å; A925-N927 PolarHBondContact O-N 3.13Å
928	K	40.6	Very low	38.6	Very low	123 Å²	123	113.3 Å²	113.3	54%	0.535	56%	0.561	S	S	.	*	H	α-helix	trans	-80.5	-11.9	175.3	-89.6	-168.2	174.9	-174.5	0	114.1	M350 H924 A925 S926 K930	M350-K928 PolarHBondContact SD-NZ 3.1Å; H924-K928 PolarHBondContact O-N 3.09Å; A925-K928 PolarHBondContact O-N 3.39Å; S926-K928 VanDerWaalsContact C-N 3.32Å; S926-K928 PolarHBondContact O-N 3.2Å; K928-K930 PolarHBondContact O-N 3.45Å
929	I	40.1	Very low	37.5	Very low	119 Å²	119	115.6 Å²	115.6	61%	0.61	58%	0.578	S	S	*	*			trans	-78.4	66.7	168	-49.8	168.2	0	0	0	109	S926 R1033	S926-I929 PolarHBondContact O-N 2.93Å; I929-R1033 PolarHBondContact O-NH1 3.5Å; I929-R1033 PolarHBondContact O-NH2 3.03Å; I929-R1033 VanDerWaalsContact O-NH2 3.08Å
930	K	31.8	Very low	36.5	Very low	152 Å²	152	121.7 Å²	121.7	66%	0.661	61%	0.607	S	S	*	*			trans	-117.7	107.4	166.4	-83.9	175.5	176.5	160.3	0	106.8	K928	K928-K930 PolarHBondContact O-N 3.45Å
931	S	32.1	Very low	35.6	Very low	99 Å²	99	126.1 Å²	126.1	69%	0.692	62%	0.622	S	S	*	*			trans	-54.9	128.2	174.4	46.1	0	0	0	0	110.4	Y933	S931-Y933 PolarHBondContact O-N 3.45Å
932	P	30.7	Very low	34.5	Very low	121 Å²	121	127.7 Å²	127.7	79%	0.786	64%	0.636	S	S	*	*			trans	-80.9	54.7	-179.7	34.6	-36.4	0	0	0	111.2
933	Y	30.8	Very low	33.7	Very low	213 Å²	213	134.1 Å²	134.1	84%	0.835	66%	0.663	S	S	*	*			trans	-119.5	83	179.6	-77.2	-78.5	0	0	0	111.7	S931	S931-Y933 PolarHBondContact O-N 3.45Å
934	R	25.7	Very low	32.9	Very low	233 Å²	233	137.8 Å²	137.8	88%	0.879	69%	0.685	S	S	*	*			trans	-144.5	69.3	162.3	-159.5	-174.6	-161.8	-157.9	5.8	111.9
935	Q	27.1	Very low	32.4	Very low	184 Å²	184	141.4 Å²	141.4	86%	0.86	70%	0.702	S	S	*	*			trans	-161	144.5	154.8	-112.5	162	24.2	0	0	113.3
936	L	26.8	Very low	31.9	Very low	146 Å²	146	146.5 Å²	146.5	76%	0.764	72%	0.715	S	S	*	*			trans	68.3	97.8	163.6	-64.2	159.9	0	0	0	118.3	I938	L936-I938 PolarHBondContact O-N 3.2Å
937	R	22.7	Very low	31.6	Very low	244 Å²	244	151.7 Å²	151.7	92%	0.921	75%	0.749	S	S	*	*			trans	-62.9	112.6	153.1	-77.2	-178.9	-87.5	-169	-6.1	108.6
938	I	25.6	Very low	31.6	Very low	128 Å²	128	150.6 Å²	150.6	66%	0.656	75%	0.746	S	S	*	*			trans	-118.7	109.6	156.3	-64.2	179.3	0	0	0	106	L936	L936-I938 PolarHBondContact O-N 3.2Å
939	V	28.2	Very low	32.2	Very low	110 Å²	110	148.6 Å²	148.6	67%	0.667	74%	0.744	S	S	*	*			trans	-66.7	152.1	169.2	-172.9	0	0	0	0	107.3
940	D	27.6	Very low	32.9	Very low	153 Å²	153	145.3 Å²	145.3	82%	0.818	73%	0.73	S	S	*	*	S	Bend	trans	90.3	5.1	169.5	-49.9	-43.5	0	0	0	121.9
941	L	29.8	Very low	34.3	Very low	146 Å²	146	142.5 Å²	142.5	76%	0.764	72%	0.717	S	S	*	*			trans	-131.8	0.7	-177.6	-86.9	165.6	0	0	0	119.4	Q943	L941-Q943 PolarHBondContact O-N 3.49Å
942	V	29.4	Very low	35.6	Very low	148 Å²	148	141 Å²	141	90%	0.897	70%	0.701	S	S	*	*			trans	-104.3	64.7	-176.2	-168.1	0	0	0	0	111.9
943	Q	32.3	Very low	36.7	Very low	171 Å²	171	143.3 Å²	143.3	80%	0.799	69%	0.694	S	S	*	*			trans	-113.9	12.5	-174	-138.2	-178.1	17.5	0	0	115.1	L941	L941-Q943 PolarHBondContact O-N 3.49Å
944	L	30.3	Very low	37.5	Very low	154 Å²	154	137.3 Å²	137.3	81%	0.806	68%	0.683	S	S	*	*	S	Bend	trans	-123.1	-13.6	-158.1	-86.3	165.1	0	0	0	119.8
945	H	35.7	Very low	38.5	Very low	194 Å²	194	129.4 Å²	129.4	90%	0.898	67%	0.674	S	S	*	*	S	Bend	trans	-134.8	17	-168.2	-89.2	16.1	0	0	0	117.9
946	E	34.9	Very low	39.2	Very low	168 Å²	168	126.9 Å²	126.9	79%	0.785	67%	0.671	S	S	*	*	S	Bend	trans	-126.9	140.8	166.8	-71.7	-170.6	166.1	0	0	111.5	S948	E946-S948 PolarHBondContact O-N 3.07Å; E946-S948 PolarHBondContact O-OG 3.09Å
947	P	39.1	Very low	39.4	Very low	114 Å²	114	125.1 Å²	125.1	74%	0.74	67%	0.668	S	S	*	*			trans	-67	99	177.4	28.1	-33.8	0	0	0	110	G1002	P947-G1002 WeakPolarHBondContact CA-O 3.28Å
948	S	43.1	Very low	39.8	Very low	43 Å²	43	122.9 Å²	122.9	30%	0.301	67%	0.666	S	S	.	*			trans	-87.3	123.1	-172	4.1	0	0	0	0	110.7	E946 Q1003 V1004	E946-S948 PolarHBondContact O-N 3.07Å; E946-S948 PolarHBondContact O-OG 3.09Å; S948-Q1003 CarbonylContact O-C 3.52Å; S948-Q1003 VanDerWaalsContact O-CA 3.23Å; S948-Q1003 WeakPolarHBondContact O-CA 3.11Å; S948-Q1003 WeakPolarHBondContact O-CB 3.21Å; S948-Q1003 PolarHBondContact OG-NE2 3.49Å; S948-Q1003 VanDerWaalsContact OG-NE2 3.11Å; S948-V1004 PolarHBondContact O-N 3.4Å
949	V	52.3	Low	40.2	Very low	80 Å²	80	125 Å²	125	49%	0.485	67%	0.672	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.1	125.1	166.8	-174.8	0	0	0	0	108.1	F951 V1004 V1006	V949-F951 HydrophobicContact CG1-CE1 3.9Å; V949-F951 HydrophobicContact CG1-CE2 4.29Å; V949-F951 HydrophobicContact CG1-CZ 3.73Å; V949-V1004 CarbonylContact C-O 3.58Å; V949-V1004 WeakPolarHBondContact CA-O 3.41Å; V949-V1004 HydrophobicContact CG2-CB 4.42Å; V949-V1006 HydrophobicContact CG1-CG2 3.84Å
950	V	54.1	Low	40.4	Very low	51 Å²	51	125 Å²	125	31%	0.309	68%	0.678	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.9	115.9	-175.2	176.6	0	0	0	0	109.1	V1004 L1005 V1006	V950-V1004 PolarHBondContact N-O 3.07Å; V950-L1005 HydrophobicContact CB-CD2 3.7Å; V950-L1005 HydrophobicContact CG1-CD2 3.74Å; V950-L1005 CarbonylContact O-C 3.55Å; V950-L1005 VanDerWaalsContact O-CA 3.27Å; V950-L1005 WeakPolarHBondContact O-CA 3.34Å; V950-V1006 PolarHBondContact O-N 3.24Å
951	F	61.3	Low	40.7	Very low	92 Å²	92	123.3 Å²	123.3	40%	0.404	67%	0.668	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.4	127.7	-179.7	-57.6	-73.3	0	0	0	111	V949 V1006 L1008 W1016 L1017	V949-F951 HydrophobicContact CG1-CE1 3.9Å; V949-F951 HydrophobicContact CG1-CE2 4.29Å; V949-F951 HydrophobicContact CG1-CZ 3.73Å; F951-V1006 WeakPolarHBondContact CA-O 3.31Å; F951-V1006 HydrophobicContact CD1-CB 3.86Å; F951-V1006 HydrophobicContact CD1-CG1 4.19Å; F951-V1006 HydrophobicContact CE1-CB 4.08Å; F951-V1006 HydrophobicContact CE1-CG1 4.31Å; F951-V1006 HydrophobicContact CE1-CG2 4.37Å; F951-L1008 HydrophobicContact CB-CD1 3.91Å; F951-L1008 HydrophobicContact CB-CG 4.47Å; F951-L1008 HydrophobicContact CD1-CD1 3.75Å; F951-L1008 HydrophobicContact CD1-CG 4.12Å; F951-L1008 HydrophobicContact CG-CD1 4.03Å; F951-W1016 HydrophobicContact CD1-CZ3 4.22Å; F951-W1016 HydrophobicContact CE1-CE3 4.39Å; F951-W1016 AromaticContact CE1-CH2 3.83Å; F951-W1016 HydrophobicContact CE1-CH2 3.83Å; F951-W1016 AromaticContact CE1-CZ3 3.4Å; F951-W1016 HydrophobicContact CE1-CZ3 3.4Å; F951-W1016 VanDerWaalsContact CE1-CZ3 3.4Å; F951-W1016 HydrophobicContact CZ-CH2 4.49Å; F951-W1016 AromaticContact CZ-CZ3 3.88Å; F951-W1016 HydrophobicContact CZ-CZ3 3.88Å; F951-L1017 HydrophobicContact CE2-CD2 4.25Å
952	I	59.8	Low	40.9	Very low	67 Å²	67	123 Å²	123	34%	0.344	67%	0.668	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.8	135.5	176.5	-57.4	177.1	0	0	0	108.9	L1005 V1006 L1008	I952-L1005 HydrophobicContact CD1-CB 4.1Å; I952-L1005 HydrophobicContact CD1-CD2 3.89Å; I952-L1005 HydrophobicContact CD1-CG 4.39Å; I952-L1005 HydrophobicContact CG1-CD2 4.34Å; I952-V1006 PolarHBondContact N-O 3.27Å; I952-L1008 PolarHBondContact O-N 3.28Å
953	R	53.1	Low	41.4	Very low	170 Å²	170	124.5 Å²	124.5	64%	0.642	66%	0.662	S	S	*	*			trans	-131	104.1	166.4	-178.4	177.9	178.8	174.6	0.8	108.7	G955	R953-G955 PolarHBondContact O-N 3.45Å
954	C	49.1	Very low	41.7	Very low	88 Å²	88	121.7 Å²	121.7	60%	0.595	65%	0.652	S	S	*	*			trans	-72	111.1	168.6	-69.8	0	0	0	0	109.1	T1009	C954-T1009 HydrophobicContact CB-CG2 3.87Å
955	G	46.4	Very low	42.3	Very low	67 Å²	67	120.4 Å²	120.4	69%	0.691	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-75.9	122.4	168.3	0	0	0	0	0	110	R953	R953-G955 PolarHBondContact O-N 3.45Å
956	T	41.4	Very low	42.4	Very low	131 Å²	131	117.2 Å²	117.2	80%	0.804	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-69.4	133.9	167.7	44.8	0	0	0	0	109.7
957	P	31.4	Very low	42.7	Very low	109 Å²	109	115 Å²	115	71%	0.708	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-80.3	140.7	173.5	34.5	-33.9	0	0	0	110.4
958	F	31.6	Very low	42.9	Very low	197 Å²	197	114.3 Å²	114.3	86%	0.864	61%	0.613	S	S	*	*			trans	73.7	158.1	174.2	-66	-88.5	0	0	0	119.1
959	E	34	Very low	42.8	Very low	171 Å²	171	114.9 Å²	114.9	80%	0.799	62%	0.62	S	S	*	*			trans	77.5	69.2	167.5	-59.2	-173.8	-174.5	0	0	119.6	N961	E959-N961 PolarHBondContact O-N 3.33Å
960	S	32	Very low	42.2	Very low	112 Å²	112	117 Å²	117	78%	0.783	62%	0.623	S	S	*	*				21.9	83.9	126.4	58.1	0	0	0	0	118.5
961	N	33.5	Very low	41.4	Very low	116 Å²	116	121.8 Å²	121.8	62%	0.62	64%	0.644	S	S	*	*			trans	-156.4	31.4	162.4	-101.1	-39.7	0	0	0	114.4	E959 F963 I964	E959-N961 PolarHBondContact O-N 3.33Å; N961-F963 PolarHBondContact O-N 3.34Å; N961-I964 PolarHBondContact O-N 3.07Å
962	D	34.2	Very low	40.4	Very low	141 Å²	141	125.8 Å²	125.8	75%	0.754	66%	0.661	S	S	*	*	H	α-helix	trans	-60.4	-8.9	-177.7	-85.3	-36	0	0	0	115.5
963	F	39.3	Very low	39.6	Very low	178 Å²	178	132 Å²	132	78%	0.781	68%	0.681	S	S	*	*	H	α-helix	trans	-79.1	-29.5	-178.8	-126.9	-93.5	0	0	0	114	N961	N961-F963 PolarHBondContact O-N 3.34Å
964	I	40	Very low	39	Very low	112 Å²	112	132.2 Å²	132.2	57%	0.574	69%	0.687	S	S	*	*	H	α-helix	trans	-85.1	-27.4	-169.8	-62.7	176.6	0	0	0	112.3	N961	N961-I964 PolarHBondContact O-N 3.07Å
965	I	42	Very low	38.5	Very low	128 Å²	128	135.1 Å²	135.1	66%	0.656	70%	0.697	S	S	*	*	H	α-helix	trans	-77.9	-27.5	-175.1	-60.3	178.6	0	0	0	112	A969	I965-A969 PolarHBondContact O-N 3.47Å
966	Q	37.9	Very low	38.4	Very low	126 Å²	126	135 Å²	135	59%	0.589	69%	0.685	S	S	*	*	H	α-helix	trans	-73.3	-26.7	-178.1	-69.9	-160	10.4	0	0	115	K970	Q966-K970 WeakPolarHBondContact O-CD 3.49Å; Q966-K970 WeakPolarHBondContact O-CG 3.37Å
967	E	41.7	Very low	38.4	Very low	122 Å²	122	138.9 Å²	138.9	57%	0.57	69%	0.691	S	S	*	*	H	α-helix	trans	-85.2	-38.9	-179.7	-75.1	-173.8	120.9	0	0	112.6	A969 K970 M971	E967-A969 VanDerWaalsContact C-N 3.3Å; E967-A969 PolarHBondContact O-N 3.45Å; E967-K970 PolarHBondContact O-N 3.4Å; E967-K970 VanDerWaalsContact O-N 3.16Å; E967-M971 PolarHBondContact O-N 3.19Å
968	V	42	Very low	39.2	Very low	100 Å²	100	136 Å²	136	61%	0.606	67%	0.672	S	S	*	*	H	α-helix	trans	-65	-35.2	177.8	-176.9	0	0	0	0	111.5
969	A	42.3	Very low	39.8	Very low	54 Å²	54	132.2 Å²	132.2	45%	0.446	67%	0.665	S	S	.	*	H	α-helix	trans	-68.4	-30.6	175.2	0	0	0	0	0	113.4	I965 E967 Y973	I965-A969 PolarHBondContact O-N 3.47Å; E967-A969 VanDerWaalsContact C-N 3.3Å; E967-A969 PolarHBondContact O-N 3.45Å; A969-Y973 WeakPolarHBondContact O-CD2 3.32Å
970	K	39.2	Very low	40.1	Very low	126 Å²	126	133.4 Å²	133.4	55%	0.548	67%	0.668	S	S	.	*	H	α-helix	trans	-78.7	-29.7	-178.1	-75.1	171.5	-175	165.5	0	113.5	Q966 E967	Q966-K970 WeakPolarHBondContact O-CD 3.49Å; Q966-K970 WeakPolarHBondContact O-CG 3.37Å; E967-K970 PolarHBondContact O-N 3.4Å; E967-K970 VanDerWaalsContact O-N 3.16Å
971	M	37.9	Very low	40.2	Very low	150 Å²	150	135.3 Å²	135.3	74%	0.739	66%	0.664	S	S	*	*	H	α-helix	trans	-83.3	-23.5	-172.5	-68.8	-164.8	-177.3	0	0	115.9	E967	E967-M971 PolarHBondContact O-N 3.19Å
972	K	39.4	Very low	40.3	Very low	176 Å²	176	140 Å²	140	77%	0.765	68%	0.679	S	S	*	*	H	α-helix	trans	-94.7	-21.4	-175.2	-85.3	-176.6	173.9	178.8	0	116
973	Y	44.1	Very low	40.3	Very low	197 Å²	197	138.5 Å²	138.5	77%	0.773	67%	0.674	S	S	*	*	S	Bend	trans	-102	-8.3	-169.5	-68.2	-79.3	0	0	0	115.7	A969	A969-Y973 WeakPolarHBondContact O-CD2 3.32Å
974	F	39.1	Very low	40.5	Very low	176 Å²	176	140.6 Å²	140.6	77%	0.772	68%	0.679	S	S	*	*			trans	-93.2	2.9	-169.6	-98.2	-83.3	0	0	0	117.2
975	N	39.3	Very low	40.7	Very low	149 Å²	149	139.5 Å²	139.5	80%	0.797	68%	0.68	S	S	*	*			trans	-93.7	13	-169.1	-90.6	-23.2	0	0	0	117.1	K977	N975-K977 PolarHBondContact O-N 3.46Å
976	C	43.5	Very low	40.8	Very low	65 Å²	65	140.5 Å²	140.5	44%	0.439	68%	0.682	S	S	.	*			trans	-72.4	114.4	171.4	-151.5	0	0	0	0	109.6	C978	C976-C978 HydrophobicContact CB-CB 3.98Å; C976-C978 WeakPolarHBondContact CB-SG 3.41Å; C976-C978 PolarHBondContact O-N 3.28Å; C976-C978 WeakPolarHBondContact SG-CB 3.43Å; C976-C978 CovalentContact SG-SG 2.05Å; C976-C978 PolarHBondContact SG-SG 3.21Å
977	K	41.2	Very low	41	Very low	212 Å²	212	138.6 Å²	138.6	92%	0.922	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-63.5	10.2	172.6	-72	-176.5	176.1	177.9	0	114.6	N975	N975-K977 PolarHBondContact O-N 3.46Å
978	C	49.4	Very low	41	Very low	47 Å²	47	145.2 Å²	145.2	32%	0.318	70%	0.7	S	S	.	*	G	3₁₀ helix	trans	-84.9	-19.5	-162.6	-41.8	0	0	0	0	112.3	C976 K980 H981	C976-C978 HydrophobicContact CB-CB 3.98Å; C976-C978 WeakPolarHBondContact CB-SG 3.41Å; C976-C978 PolarHBondContact O-N 3.28Å; C976-C978 WeakPolarHBondContact SG-CB 3.43Å; C976-C978 CovalentContact SG-SG 2.05Å; C976-C978 PolarHBondContact SG-SG 3.21Å; C978-K980 VanDerWaalsContact C-N 3.28Å; C978-K980 PolarHBondContact O-N 3.09Å; C978-K980 VanDerWaalsContact O-N 3.14Å; C978-H981 PolarHBondContact O-N 3.17Å
979	V	43.5	Very low	40.9	Very low	118 Å²	118	144 Å²	144	72%	0.715	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-70.7	-10.6	-165.6	-175.1	0	0	0	0	114.8
980	K	39.6	Very low	40.8	Very low	197 Å²	197	148.3 Å²	148.3	86%	0.857	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-80.4	-12.9	176.2	-86.8	-170.9	174.3	-177.1	0	114.9	C978	C978-K980 VanDerWaalsContact C-N 3.28Å; C978-K980 PolarHBondContact O-N 3.09Å; C978-K980 VanDerWaalsContact O-N 3.14Å
981	H	34.7	Very low	40.9	Very low	151 Å²	151	146.2 Å²	146.2	70%	0.699	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	143.7	168.7	-62.3	-71.4	0	0	0	108	C978 V983	C978-H981 PolarHBondContact O-N 3.17Å; H981-V983 PolarHBondContact O-N 3.47Å
982	K	36.1	Very low	41.1	Very low	216 Å²	216	146.3 Å²	146.3	94%	0.939	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	46.1	-173	-65.7	-178.4	176	179	0	113.4
983	V	34.3	Very low	41.6	Very low	108 Å²	108	140.7 Å²	140.7	66%	0.655	71%	0.706	S	S	*	*			trans	-125.1	101.7	-176.8	-175.5	0	0	0	0	108.3	H981 C985	H981-V983 PolarHBondContact O-N 3.47Å; V983-C985 PolarHBondContact O-N 3.48Å
984	Y	43.4	Very low	42.2	Very low	222 Å²	222	138 Å²	138	87%	0.871	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-78.5	116.6	176	-75.2	-90.8	0	0	0	110
985	C	44.4	Very low	43.3	Very low	89 Å²	89	130.4 Å²	130.4	60%	0.601	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-78.1	134.7	170.9	-176	0	0	0	0	110	V983 P987	V983-C985 PolarHBondContact O-N 3.48Å; C985-P987 WeakPolarHBondContact O-CD 3.31Å
986	Q	44.4	Very low	44.7	Very low	150 Å²	150	128.1 Å²	128.1	70%	0.701	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-61.8	129	167.9	-80.6	-171.3	-27.2	0	0	110.1
987	P	40.6	Very low	45.9	Very low	86 Å²	86	132.7 Å²	132.7	56%	0.558	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-69.8	132.6	172.4	-16.3	30.5	0	0	0	110.7	C985 A989	C985-P987 WeakPolarHBondContact O-CD 3.31Å; P987-A989 PolarHBondContact O-N 3.18Å
988	R	41.8	Very low	47.2	Very low	261 Å²	261	130.3 Å²	130.3	99%	0.985	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	13.2	174.4	-79.4	-178	170	172.6	-4	115.1
989	A	40.8	Very low	47.7	Very low	75 Å²	75	133.3 Å²	133.3	62%	0.62	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	3.5	-166.2	0	0	0	0	0	115.1	P987 A991	P987-A989 PolarHBondContact O-N 3.18Å; A989-A991 VanDerWaalsContact C-N 3.27Å; A989-A991 PolarHBondContact O-N 3.37Å
990	F	40.6	Very low	48	Very low	144 Å²	144	136.7 Å²	136.7	63%	0.632	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	10.8	-174.6	-110.6	-78.3	0	0	0	115.4
991	A	40.8	Very low	48.5	Very low	81 Å²	81	132.9 Å²	132.9	67%	0.669	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-25.5	-178	0	0	0	0	0	114.2	A989	A989-A991 VanDerWaalsContact C-N 3.27Å; A989-A991 PolarHBondContact O-N 3.37Å
992	D	41.8	Very low	49.3	Very low	153 Å²	153	128.7 Å²	128.7	82%	0.818	67%	0.674	S	S	*	*	S	Bend	trans	-108.1	0.1	-156	-63.2	-31.1	0	0	0	116.2
993	A	49.6	Very low	50	Low	58 Å²	58	121 Å²	121	48%	0.479	64%	0.642	S	S	.	*			trans	-155.5	94.2	176.4	0	0	0	0	0	113.4
994	I	56.6	Low	51.5	Low	140 Å²	140	118.3 Å²	118.3	72%	0.718	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-91.9	126.7	169.5	-58.4	174.8	0	0	0	108.1
995	P	63.3	Low	52.5	Low	17 Å²	17	109.5 Å²	109.5	11%	0.11	59%	0.593	C	S	.	*	P	Polyproline II helix	trans	-61.2	143.6	175	23.2	-31.7	0	0	0	111.4	V1006 D1007 L1008 Y1011 W1016	P995-V1006 HydrophobicContact CB-CG1 4.07Å; P995-V1006 HydrophobicContact CG-CG1 4Å; P995-D1007 VanDerWaalsContact CB-O 3.23Å; P995-D1007 WeakPolarHBondContact CB-O 3.4Å; P995-L1008 HydrophobicContact CB-CD2 4.42Å; P995-Y1011 HydrophobicContact CB-CE2 4.06Å; P995-W1016 HydrophobicContact CG-CZ2 3.93Å
996	T	67.5	Low	53.8	Low	100 Å²	100	105.9 Å²	105.9	61%	0.613	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-69.6	146	-176.3	58.6	0	0	0	0	110.9	D1007	T996-D1007 PolarHBondContact O-N 3.49Å; T996-D1007 WeakPolarHBondContact OG1-CB 3.49Å
997	Y	70	Confident	55.1	Low	162 Å²	162	101.1 Å²	101.1	64%	0.635	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.4	179.9	69.8	-88.3	0	0	0	112.9	V1004 L1005	Y997-V1004 HydrophobicContact CD2-CG1 4.36Å; Y997-L1005 CarbonylContact C-O 3.6Å; Y997-L1005 WeakPolarHBondContact CA-O 3.34Å; Y997-L1005 WeakPolarHBondContact CB-O 3.5Å
998	K	68.1	Low	56.3	Low	162 Å²	162	97 Å²	97	70%	0.704	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.3	175.5	-72.9	-178.7	179.2	171.7	0	110.8	L1005	K998-L1005 HydrophobicContact CB-CB 4.41Å; K998-L1005 HydrophobicContact CB-CD1 4.47Å; K998-L1005 PolarHBondContact N-O 3.3Å; K998-L1005 WeakPolarHBondContact O-CB 3.23Å; K998-L1005 PolarHBondContact O-N 3.01Å
999	T	59.4	Low	57.5	Low	110 Å²	110	87.4 Å²	87.4	68%	0.675	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	129.3	173.3	48.3	0	0	0	0	111.3	Q1003 V1004	T999-Q1003 WeakPolarHBondContact CA-O 3.39Å; T999-V1004 HydrophobicContact CG2-CG2 4.37Å
1000	R	49.1	Very low	58.3	Low	188 Å²	188	88.1 Å²	88.1	71%	0.709	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	129.3	172.7	-126.2	-175.5	-176.8	-165.7	0.3	109.8	G1002 Q1003 L1005	R1000-G1002 VanDerWaalsContact C-N 3.32Å; R1000-G1002 PolarHBondContact O-N 3.41Å; R1000-G1002 VanDerWaalsContact O-N 3.13Å; R1000-Q1003 PolarHBondContact N-O 3.06Å; R1000-Q1003 WeakPolarHBondContact O-CA 3.38Å; R1000-Q1003 WeakPolarHBondContact O-CB 3.4Å; R1000-Q1003 PolarHBondContact O-N 3.25Å; R1000-L1005 HydrophobicContact CB-CD1 4.3Å
1001	S	50.3	Low	59.2	Low	118 Å²	118	85 Å²	85	83%	0.825	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	47.7	171.4	51.1	0	0	0	0	115.2	Q1003	S1001-Q1003 VanDerWaalsContact C-N 3.29Å; S1001-Q1003 PolarHBondContact O-N 3.49Å
1002	G	52.7	Low	60.2	Low	62 Å²	62	84 Å²	84	64%	0.639	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-0.5	-179.3	0	0	0	0	0	115.8	P947 R1000	P947-G1002 WeakPolarHBondContact CA-O 3.28Å; R1000-G1002 VanDerWaalsContact C-N 3.32Å; R1000-G1002 PolarHBondContact O-N 3.41Å; R1000-G1002 VanDerWaalsContact O-N 3.13Å
1003	Q	50.9	Low	60.9	Low	56 Å²	56	78.5 Å²	78.5	26%	0.262	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	147.9	178.9	-57.8	-170.4	-40	0	0	112	S948 T999 R1000 S1001	S948-Q1003 CarbonylContact O-C 3.52Å; S948-Q1003 VanDerWaalsContact O-CA 3.23Å; S948-Q1003 WeakPolarHBondContact O-CA 3.11Å; S948-Q1003 WeakPolarHBondContact O-CB 3.21Å; S948-Q1003 PolarHBondContact OG-NE2 3.49Å; S948-Q1003 VanDerWaalsContact OG-NE2 3.11Å; T999-Q1003 WeakPolarHBondContact CA-O 3.39Å; R1000-Q1003 PolarHBondContact N-O 3.06Å; R1000-Q1003 WeakPolarHBondContact O-CA 3.38Å; R1000-Q1003 WeakPolarHBondContact O-CB 3.4Å; R1000-Q1003 PolarHBondContact O-N 3.25Å; S1001-Q1003 VanDerWaalsContact C-N 3.29Å; S1001-Q1003 PolarHBondContact O-N 3.49Å
1004	V	64.5	Low	61.1	Low	50 Å²	50	81.9 Å²	81.9	30%	0.303	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	105	173.1	-176.1	0	0	0	0	108.3	S948 V949 V950 Y997 T999 V1006	S948-V1004 PolarHBondContact O-N 3.4Å; V949-V1004 CarbonylContact C-O 3.58Å; V949-V1004 WeakPolarHBondContact CA-O 3.41Å; V949-V1004 HydrophobicContact CG2-CB 4.42Å; V950-V1004 PolarHBondContact N-O 3.07Å; Y997-V1004 HydrophobicContact CD2-CG1 4.36Å; T999-V1004 HydrophobicContact CG2-CG2 4.37Å; V1004-V1006 HydrophobicContact CG1-CG2 4.23Å
1005	L	65.1	Low	61.1	Low	37 Å²	37	79.9 Å²	79.9	19%	0.194	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.6	175.2	-60	159.8	0	0	0	108.4	V950 I952 Y997 K998 R1000	V950-L1005 HydrophobicContact CB-CD2 3.7Å; V950-L1005 HydrophobicContact CG1-CD2 3.74Å; V950-L1005 CarbonylContact O-C 3.55Å; V950-L1005 VanDerWaalsContact O-CA 3.27Å; V950-L1005 WeakPolarHBondContact O-CA 3.34Å; I952-L1005 HydrophobicContact CD1-CB 4.1Å; I952-L1005 HydrophobicContact CD1-CD2 3.89Å; I952-L1005 HydrophobicContact CD1-CG 4.39Å; I952-L1005 HydrophobicContact CG1-CD2 4.34Å; Y997-L1005 CarbonylContact C-O 3.6Å; Y997-L1005 WeakPolarHBondContact CA-O 3.34Å; Y997-L1005 WeakPolarHBondContact CB-O 3.5Å; K998-L1005 HydrophobicContact CB-CB 4.41Å; K998-L1005 HydrophobicContact CB-CD1 4.47Å; K998-L1005 PolarHBondContact N-O 3.3Å; K998-L1005 WeakPolarHBondContact O-CB 3.23Å; K998-L1005 PolarHBondContact O-N 3.01Å; R1000-L1005 HydrophobicContact CB-CD1 4.3Å
1006	V	72.1	Confident	60.9	Low	14 Å²	14	81.5 Å²	81.5	9%	0.085	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.8	177.3	179	0	0	0	0	109.2	V949 V950 F951 I952 P995 V1004 L1008	V949-V1006 HydrophobicContact CG1-CG2 3.84Å; V950-V1006 PolarHBondContact O-N 3.24Å; F951-V1006 WeakPolarHBondContact CA-O 3.31Å; F951-V1006 HydrophobicContact CD1-CB 3.86Å; F951-V1006 HydrophobicContact CD1-CG1 4.19Å; F951-V1006 HydrophobicContact CE1-CB 4.08Å; F951-V1006 HydrophobicContact CE1-CG1 4.31Å; F951-V1006 HydrophobicContact CE1-CG2 4.37Å; I952-V1006 PolarHBondContact N-O 3.27Å; P995-V1006 HydrophobicContact CB-CG1 4.07Å; P995-V1006 HydrophobicContact CG-CG1 4Å; V1004-V1006 HydrophobicContact CG1-CG2 4.23Å; V1006-L1008 HydrophobicContact CG1-CD2 4.15Å
1007	D	70.7	Confident	60.3	Low	49 Å²	49	79.3 Å²	79.3	26%	0.262	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116	-179.6	-164.7	-24	0	0	0	110.7	P995 T996 T1009	P995-D1007 VanDerWaalsContact CB-O 3.23Å; P995-D1007 WeakPolarHBondContact CB-O 3.4Å; T996-D1007 PolarHBondContact O-N 3.49Å; T996-D1007 WeakPolarHBondContact OG1-CB 3.49Å; D1007-T1009 VanDerWaalsContact OD1-CB 3.3Å; D1007-T1009 WeakPolarHBondContact OD1-CB 3.26Å; D1007-T1009 VanDerWaalsContact OD1-CG2 3.25Å; D1007-T1009 WeakPolarHBondContact OD1-CG2 3.45Å; D1007-T1009 PolarHBondContact OD1-N 2.98Å; D1007-T1009 PolarHBondContact OD1-OG1 3.5Å
1008	L	67	Low	59.5	Low	1 Å²	1	74.6 Å²	74.6	1%	0.005	43%	0.427	C	S	.	.			trans	-103.2	18.4	178.7	-62.6	-177.7	0	0	0	112.6	F951 I952 P995 V1006 G1010 Y1011 V1013 W1016	F951-L1008 HydrophobicContact CB-CD1 3.91Å; F951-L1008 HydrophobicContact CB-CG 4.47Å; F951-L1008 HydrophobicContact CD1-CD1 3.75Å; F951-L1008 HydrophobicContact CD1-CG 4.12Å; F951-L1008 HydrophobicContact CG-CD1 4.03Å; I952-L1008 PolarHBondContact O-N 3.28Å; P995-L1008 HydrophobicContact CB-CD2 4.42Å; V1006-L1008 HydrophobicContact CG1-CD2 4.15Å; L1008-G1010 PolarHBondContact O-N 3.35Å; L1008-Y1011 PolarHBondContact O-N 3.08Å; L1008-Y1011 VanDerWaalsContact O-N 3.09Å; L1008-V1013 HydrophobicContact CB-CG2 4.45Å; L1008-V1013 HydrophobicContact CD1-CG1 4.41Å; L1008-V1013 HydrophobicContact CD1-CG2 4.29Å; L1008-W1016 HydrophobicContact CD1-CE3 4.44Å; L1008-W1016 HydrophobicContact CD2-CD2 3.97Å; L1008-W1016 HydrophobicContact CD2-CE3 4.13Å; L1008-W1016 HydrophobicContact CD2-CG 4.37Å; L1008-W1016 HydrophobicContact CD2-CZ2 4.47Å; L1008-W1016 HydrophobicContact CD2-CZ3 4.47Å
1009	T	65.5	Low	58.6	Low	59 Å²	59	72.6 Å²	72.6	36%	0.362	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	129.1	171.5	46.7	0	0	0	0	111.1	C954 D1007 Y1011	C954-T1009 HydrophobicContact CB-CG2 3.87Å; D1007-T1009 VanDerWaalsContact OD1-CB 3.3Å; D1007-T1009 WeakPolarHBondContact OD1-CB 3.26Å; D1007-T1009 VanDerWaalsContact OD1-CG2 3.25Å; D1007-T1009 WeakPolarHBondContact OD1-CG2 3.45Å; D1007-T1009 PolarHBondContact OD1-N 2.98Å; D1007-T1009 PolarHBondContact OD1-OG1 3.5Å; T1009-Y1011 VanDerWaalsContact C-N 3.33Å; T1009-Y1011 WeakPolarHBondContact O-CD2 3.45Å; T1009-Y1011 PolarHBondContact O-N 2.98Å
1010	G	57.7	Low	58.1	Low	90 Å²	90	69.2 Å²	69.2	93%	0.928	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-10.1	-175.1	0	0	0	0	0	116.3	L1008	L1008-G1010 PolarHBondContact O-N 3.35Å
1011	Y	60.8	Low	57.8	Low	77 Å²	77	66.3 Å²	66.3	30%	0.302	40%	0.395	S	S	.	.	S	Bend	trans	-98.4	147	179.2	-65.2	-91.2	0	0	0	112.7	P995 L1008 T1009 V1013	P995-Y1011 HydrophobicContact CB-CE2 4.06Å; L1008-Y1011 PolarHBondContact O-N 3.08Å; L1008-Y1011 VanDerWaalsContact O-N 3.09Å; T1009-Y1011 VanDerWaalsContact C-N 3.33Å; T1009-Y1011 WeakPolarHBondContact O-CD2 3.45Å; T1009-Y1011 PolarHBondContact O-N 2.98Å; Y1011-V1013 PolarHBondContact O-N 3.01Å; Y1011-V1013 VanDerWaalsContact O-N 3.14Å
1012	S	60.7	Low	57.2	Low	60 Å²	60	66 Å²	66	42%	0.42	38%	0.384	S	S	.	.			trans	-71.5	105.5	165.8	177.4	0	0	0	0	109.3	I1014 D1015 W1016	S1012-I1014 PolarHBondContact O-N 3.2Å; S1012-D1015 WeakPolarHBondContact CB-OD2 3.28Å; S1012-D1015 PolarHBondContact O-N 2.94Å; S1012-D1015 VanDerWaalsContact OG-CG 3.29Å; S1012-D1015 PolarHBondContact OG-N 3.43Å; S1012-D1015 PolarHBondContact OG-OD2 2.91Å; S1012-W1016 WeakPolarHBondContact O-CB 3.44Å; S1012-W1016 PolarHBondContact O-N 3.48Å
1013	V	57	Low	56.5	Low	39 Å²	39	66.6 Å²	66.6	24%	0.236	38%	0.379	C	S	.	.	H	α-helix	trans	-57.4	-37.1	-178.4	178.5	0	0	0	0	111.5	L1008 Y1011 L1017	L1008-V1013 HydrophobicContact CB-CG2 4.45Å; L1008-V1013 HydrophobicContact CD1-CG1 4.41Å; L1008-V1013 HydrophobicContact CD1-CG2 4.29Å; Y1011-V1013 PolarHBondContact O-N 3.01Å; Y1011-V1013 VanDerWaalsContact O-N 3.14Å; V1013-L1017 HydrophobicContact CG1-CD1 3.7Å; V1013-L1017 HydrophobicContact CG1-CG 4.29Å; V1013-L1017 VanDerWaalsContact O-CB 3.25Å; V1013-L1017 WeakPolarHBondContact O-CB 3.43Å; V1013-L1017 WeakPolarHBondContact O-CG 3.25Å; V1013-L1017 PolarHBondContact O-N 3.43Å
1014	I	54.9	Low	55.6	Low	128 Å²	128	72.2 Å²	72.2	66%	0.656	40%	0.399	S	S	*	.	H	α-helix	trans	-70.5	-45.1	-179.3	-64.2	170.4	0	0	0	111	S1012 T1018	S1012-I1014 PolarHBondContact O-N 3.2Å; I1014-T1018 WeakPolarHBondContact O-CB 3.42Å; I1014-T1018 WeakPolarHBondContact O-CG2 3.29Å; I1014-T1018 PolarHBondContact O-N 2.85Å; I1014-T1018 PolarHBondContact O-OG1 2.95Å
1015	D	55.4	Low	54.2	Low	98 Å²	98	72.9 Å²	72.9	52%	0.524	41%	0.405	S	S	.	.	H	α-helix	trans	-71	-37	-179.5	-58	-49.3	0	0	0	111.4	S1012 T1018 M1019	S1012-D1015 WeakPolarHBondContact CB-OD2 3.28Å; S1012-D1015 PolarHBondContact O-N 2.94Å; S1012-D1015 VanDerWaalsContact OG-CG 3.29Å; S1012-D1015 PolarHBondContact OG-N 3.43Å; S1012-D1015 PolarHBondContact OG-OD2 2.91Å; D1015-T1018 WeakPolarHBondContact CA-OG1 3.16Å; D1015-T1018 PolarHBondContact O-OG1 3.3Å; D1015-M1019 WeakPolarHBondContact O-CB 3.44Å; D1015-M1019 WeakPolarHBondContact O-CG 3.31Å; D1015-M1019 PolarHBondContact O-N 3Å
1016	W	59.7	Low	52.7	Low	51 Å²	51	75.9 Å²	75.9	19%	0.193	43%	0.425	C	S	.	.	H	α-helix	trans	-69.7	-42.9	177.3	-161.6	93.9	0	0	0	112	F951 P995 L1008 S1012 T1020	F951-W1016 HydrophobicContact CD1-CZ3 4.22Å; F951-W1016 HydrophobicContact CE1-CE3 4.39Å; F951-W1016 AromaticContact CE1-CH2 3.83Å; F951-W1016 HydrophobicContact CE1-CH2 3.83Å; F951-W1016 AromaticContact CE1-CZ3 3.4Å; F951-W1016 HydrophobicContact CE1-CZ3 3.4Å; F951-W1016 VanDerWaalsContact CE1-CZ3 3.4Å; F951-W1016 HydrophobicContact CZ-CH2 4.49Å; F951-W1016 AromaticContact CZ-CZ3 3.88Å; F951-W1016 HydrophobicContact CZ-CZ3 3.88Å; P995-W1016 HydrophobicContact CG-CZ2 3.93Å; L1008-W1016 HydrophobicContact CD1-CE3 4.44Å; L1008-W1016 HydrophobicContact CD2-CD2 3.97Å; L1008-W1016 HydrophobicContact CD2-CE3 4.13Å; L1008-W1016 HydrophobicContact CD2-CG 4.37Å; L1008-W1016 HydrophobicContact CD2-CZ2 4.47Å; L1008-W1016 HydrophobicContact CD2-CZ3 4.47Å; S1012-W1016 WeakPolarHBondContact O-CB 3.44Å; S1012-W1016 PolarHBondContact O-N 3.48Å; W1016-T1020 HydrophobicContact CD2-CG2 3.99Å; W1016-T1020 HydrophobicContact CE3-CG2 3.88Å; W1016-T1020 HydrophobicContact CH2-CG2 3.89Å; W1016-T1020 HydrophobicContact CZ2-CG2 3.99Å; W1016-T1020 HydrophobicContact CZ3-CG2 3.82Å; W1016-T1020 WeakPolarHBondContact O-CB 3.45Å; W1016-T1020 WeakPolarHBondContact O-CG2 3.48Å; W1016-T1020 PolarHBondContact O-N 3.43Å; W1016-T1020 PolarHBondContact O-OG1 3.33Å
1017	L	54.8	Low	50.9	Low	54 Å²	54	85.2 Å²	85.2	28%	0.283	46%	0.459	S	S	.	.	H	α-helix	trans	-65	-47.2	174.1	-73.5	172.7	0	0	0	111.5	F951 V1013 M1019 T1020 E1021	F951-L1017 HydrophobicContact CE2-CD2 4.25Å; V1013-L1017 HydrophobicContact CG1-CD1 3.7Å; V1013-L1017 HydrophobicContact CG1-CG 4.29Å; V1013-L1017 VanDerWaalsContact O-CB 3.25Å; V1013-L1017 WeakPolarHBondContact O-CB 3.43Å; V1013-L1017 WeakPolarHBondContact O-CG 3.25Å; V1013-L1017 PolarHBondContact O-N 3.43Å; L1017-M1019 VanDerWaalsContact C-N 3.28Å; L1017-M1019 PolarHBondContact O-N 2.94Å; L1017-T1020 WeakPolarHBondContact CA-OG1 3.48Å; L1017-T1020 PolarHBondContact O-N 3.02Å; L1017-T1020 PolarHBondContact O-OG1 3.3Å; L1017-E1021 WeakPolarHBondContact O-CB 3.45Å; L1017-E1021 WeakPolarHBondContact O-CG 3.27Å; L1017-E1021 PolarHBondContact O-N 3.49Å
1018	T	53.2	Low	48.9	Very low	64 Å²	64	92.6 Å²	92.6	39%	0.393	48%	0.483	S	S	.	.	H	α-helix	trans	-64.7	-29.4	179.6	51.1	0	0	0	0	113.3	I1014 D1015 N1022	I1014-T1018 WeakPolarHBondContact O-CB 3.42Å; I1014-T1018 WeakPolarHBondContact O-CG2 3.29Å; I1014-T1018 PolarHBondContact O-N 2.85Å; I1014-T1018 PolarHBondContact O-OG1 2.95Å; D1015-T1018 WeakPolarHBondContact CA-OG1 3.16Å; D1015-T1018 PolarHBondContact O-OG1 3.3Å; T1018-N1022 WeakPolarHBondContact O-CB 3.47Å; T1018-N1022 PolarHBondContact O-ND2 3.41Å
1019	M	50.1	Low	47.4	Very low	120 Å²	120	101.1 Å²	101.1	59%	0.591	52%	0.522	S	S	*	.	H	α-helix	trans	-79.9	-31.5	172.4	-72.4	-159.1	153.8	0	0	114.1	D1015 L1017 S1023	D1015-M1019 WeakPolarHBondContact O-CB 3.44Å; D1015-M1019 WeakPolarHBondContact O-CG 3.31Å; D1015-M1019 PolarHBondContact O-N 3Å; L1017-M1019 VanDerWaalsContact C-N 3.28Å; L1017-M1019 PolarHBondContact O-N 2.94Å; M1019-S1023 PolarHBondContact O-N 3.32Å; M1019-S1023 PolarHBondContact O-OG 2.96Å
1020	T	48.9	Very low	46	Very low	38 Å²	38	103.3 Å²	103.3	23%	0.233	54%	0.539	C	S	.	.	H	α-helix	trans	-82.8	-38.7	178.7	51.2	0	0	0	0	113.2	W1016 L1017 N1022 S1023 Y1024	W1016-T1020 HydrophobicContact CD2-CG2 3.99Å; W1016-T1020 HydrophobicContact CE3-CG2 3.88Å; W1016-T1020 HydrophobicContact CH2-CG2 3.89Å; W1016-T1020 HydrophobicContact CZ2-CG2 3.99Å; W1016-T1020 HydrophobicContact CZ3-CG2 3.82Å; W1016-T1020 WeakPolarHBondContact O-CB 3.45Å; W1016-T1020 WeakPolarHBondContact O-CG2 3.48Å; W1016-T1020 PolarHBondContact O-N 3.43Å; W1016-T1020 PolarHBondContact O-OG1 3.33Å; L1017-T1020 WeakPolarHBondContact CA-OG1 3.48Å; L1017-T1020 PolarHBondContact O-N 3.02Å; L1017-T1020 PolarHBondContact O-OG1 3.3Å; T1020-N1022 VanDerWaalsContact C-N 3.33Å; T1020-N1022 PolarHBondContact O-N 2.83Å; T1020-S1023 WeakPolarHBondContact O-CB 3.38Å; T1020-S1023 PolarHBondContact O-N 2.93Å; T1020-Y1024 PolarHBondContact O-N 3.37Å
1021	E	41.9	Very low	45.4	Very low	128 Å²	128	102 Å²	102	60%	0.598	52%	0.516	S	S	*	.	H	α-helix	trans	-61.3	-40.3	171.9	-73	-170.6	142.7	0	0	111.4	L1017 S1023 Y1024 S1025	L1017-E1021 WeakPolarHBondContact O-CB 3.45Å; L1017-E1021 WeakPolarHBondContact O-CG 3.27Å; L1017-E1021 PolarHBondContact O-N 3.49Å; E1021-S1023 VanDerWaalsContact C-N 3.26Å; E1021-S1023 PolarHBondContact O-N 3.47Å; E1021-Y1024 PolarHBondContact O-N 3.44Å; E1021-S1025 WeakPolarHBondContact O-CB 3.4Å; E1021-S1025 PolarHBondContact O-N 2.7Å; E1021-S1025 PolarHBondContact O-OG 3.16Å
1022	N	36.5	Very low	44.8	Very low	110 Å²	110	99.9 Å²	99.9	59%	0.588	52%	0.517	S	S	*	.	H	α-helix	trans	-66.5	-25.5	172.8	-81	-47	0	0	0	113.2	T1018 T1020 V1026	T1018-N1022 WeakPolarHBondContact O-CB 3.47Å; T1018-N1022 PolarHBondContact O-ND2 3.41Å; T1020-N1022 VanDerWaalsContact C-N 3.33Å; T1020-N1022 PolarHBondContact O-N 2.83Å; N1022-V1026 VanDerWaalsContact O-CG2 3.3Å; N1022-V1026 WeakPolarHBondContact O-CG2 3.47Å
1023	S	38.2	Very low	43.9	Very low	76 Å²	76	101.3 Å²	101.3	53%	0.531	51%	0.513	S	S	.	.	H	α-helix	trans	-81.3	-29.9	176.2	-60.1	0	0	0	0	113.1	M1019 T1020 E1021	M1019-S1023 PolarHBondContact O-N 3.32Å; M1019-S1023 PolarHBondContact O-OG 2.96Å; T1020-S1023 WeakPolarHBondContact O-CB 3.38Å; T1020-S1023 PolarHBondContact O-N 2.93Å; E1021-S1023 VanDerWaalsContact C-N 3.26Å; E1021-S1023 PolarHBondContact O-N 3.47Å
1024	Y	33.8	Very low	43.7	Very low	174 Å²	174	102.7 Å²	102.7	68%	0.682	52%	0.522	S	S	*	.	H	α-helix	trans	-93.3	-30.8	179	-91.5	-91.3	0	0	0	114.2	T1020 E1021 R1027	T1020-Y1024 PolarHBondContact O-N 3.37Å; E1021-Y1024 PolarHBondContact O-N 3.44Å; Y1024-R1027 PolarHBondContact O-N 2.84Å
1025	S	34.3	Very low	43.8	Very low	64 Å²	64	99.5 Å²	99.5	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-69	-33.2	-179.1	55.5	0	0	0	0	113.3	E1021 R1027 R1028	E1021-S1025 WeakPolarHBondContact O-CB 3.4Å; E1021-S1025 PolarHBondContact O-N 2.7Å; E1021-S1025 PolarHBondContact O-OG 3.16Å; S1025-R1027 PolarHBondContact O-N 3.06Å; S1025-R1027 VanDerWaalsContact O-N 3.13Å; S1025-R1028 PolarHBondContact O-N 3.09Å; S1025-R1028 VanDerWaalsContact O-N 3.15Å
1026	V	34	Very low	43.7	Very low	99 Å²	99	98.2 Å²	98.2	60%	0.6	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.7	179.4	176.6	0	0	0	0	113	N1022 R1028	N1022-V1026 VanDerWaalsContact O-CG2 3.3Å; N1022-V1026 WeakPolarHBondContact O-CG2 3.47Å; V1026-R1028 VanDerWaalsContact C-N 3.28Å; V1026-R1028 PolarHBondContact O-N 3.01Å
1027	R	33.3	Very low	43.5	Very low	211 Å²	211	98.6 Å²	98.6	80%	0.796	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	1.8	173.9	-72.5	-173.4	176.4	178.9	0.1	114.7	Y1024 S1025	Y1024-R1027 PolarHBondContact O-N 2.84Å; S1025-R1027 PolarHBondContact O-N 3.06Å; S1025-R1027 VanDerWaalsContact O-N 3.13Å
1028	R	28.9	Very low	43.8	Very low	204 Å²	204	100.2 Å²	100.2	77%	0.77	51%	0.51	S	S	*	.			trans	-125.8	130.1	180	-70.4	179.7	172.6	173.1	-2.5	111	S1025 V1026	S1025-R1028 PolarHBondContact O-N 3.09Å; S1025-R1028 VanDerWaalsContact O-N 3.15Å; V1026-R1028 VanDerWaalsContact C-N 3.28Å; V1026-R1028 PolarHBondContact O-N 3.01Å
1029	H	36.2	Very low	44.2	Very low	179 Å²	179	99.4 Å²	99.4	83%	0.829	51%	0.506	S	S	*	.			trans	109.3	56.8	169.2	-55.4	-14.4	0	0	0	118.5
1030	C	36.3	Very low	44.6	Very low	106 Å²	106	94.4 Å²	94.4	72%	0.716	49%	0.486	S	S	*	.				-121.8	98.3	123.1	-86.7	0	0	0	0	107.4	G1032	C1030-G1032 PolarHBondContact O-N 3.25Å
1031	S	45.4	Very low	45.3	Very low	63 Å²	63	94.9 Å²	94.9	44%	0.441	49%	0.486	S	S	.	.			trans	-68.8	129.5	174.9	45.5	0	0	0	0	108.8	R1033 T1034	S1031-R1033 PolarHBondContact O-N 3.5Å; S1031-T1034 PolarHBondContact O-N 3.4Å; S1031-T1034 PolarHBondContact O-OG1 2.98Å; S1031-T1034 PolarHBondContact OG-OG1 2.94Å
1032	G	46.8	Very low	46.4	Very low	31 Å²	31	89.8 Å²	89.8	32%	0.32	47%	0.466	S	S	.	.	H	α-helix	trans	-54.3	-21.2	177.4	0	0	0	0	0	113.7	C1030 T1034 I1035 L1036	C1030-G1032 PolarHBondContact O-N 3.25Å; G1032-T1034 PolarHBondContact O-N 3.03Å; G1032-I1035 PolarHBondContact O-N 3.41Å; G1032-L1036 PolarHBondContact O-N 3.48Å
1033	R	42.2	Very low	47.7	Very low	91 Å²	91	87 Å²	87	34%	0.343	45%	0.45	S	S	.	.	H	α-helix	trans	-46.1	-50.8	166.7	-168.2	-175.4	-159	150.9	11.2	113.4	S926 I929 S1031 I1035 L1036 E1037	S926-R1033 PolarHBondContact O-NH2 3.39Å; S926-R1033 WeakPolarHBondContact OG-CG 3.3Å; S926-R1033 PolarHBondContact OG-NE 3.35Å; I929-R1033 PolarHBondContact O-NH1 3.5Å; I929-R1033 PolarHBondContact O-NH2 3.03Å; I929-R1033 VanDerWaalsContact O-NH2 3.08Å; S1031-R1033 PolarHBondContact O-N 3.5Å; R1033-I1035 PolarHBondContact O-N 3.36Å; R1033-L1036 PolarHBondContact O-N 3Å; R1033-E1037 IonicContact NE-OE1 3.98Å; R1033-E1037 WeakPolarHBondContact O-CG 3.29Å; R1033-E1037 PolarHBondContact O-N 3.06Å
1034	T	52.2	Low	48.9	Very low	68 Å²	68	83.8 Å²	83.8	42%	0.417	43%	0.429	S	S	.	.	H	α-helix	trans	-69.1	-37.3	-175.3	-39.7	0	0	0	0	111.2	S1031 G1032 I1038	S1031-T1034 PolarHBondContact O-N 3.4Å; S1031-T1034 PolarHBondContact O-OG1 2.98Å; S1031-T1034 PolarHBondContact OG-OG1 2.94Å; G1032-T1034 PolarHBondContact O-N 3.03Å; T1034-I1038 HydrophobicContact CG2-CD1 4.18Å; T1034-I1038 WeakPolarHBondContact O-CB 3.31Å; T1034-I1038 WeakPolarHBondContact O-CD1 3.39Å; T1034-I1038 VanDerWaalsContact O-CG1 3.24Å; T1034-I1038 WeakPolarHBondContact O-CG1 3.36Å; T1034-I1038 PolarHBondContact O-N 3.25Å
1035	I	56.6	Low	50.4	Low	61 Å²	61	76.5 Å²	76.5	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-42.6	175.9	-59.4	174.8	0	0	0	110.1	G1032 R1033 I1038 C1039 L1142 L1146	G1032-I1035 PolarHBondContact O-N 3.41Å; R1033-I1035 PolarHBondContact O-N 3.36Å; I1035-I1038 PolarHBondContact O-N 3.34Å; I1035-C1039 WeakPolarHBondContact O-CB 3.47Å; I1035-C1039 PolarHBondContact O-N 3.36Å; I1035-C1039 PolarHBondContact O-SG 2.98Å; I1035-L1142 HydrophobicContact CG2-CD2 4.28Å; I1035-L1146 HydrophobicContact CD1-CD2 4.47Å
1036	L	54.3	Low	51.9	Low	71 Å²	71	73.5 Å²	73.5	37%	0.372	38%	0.384	S	S	.	.	H	α-helix	trans	-64.2	-40.5	178	-158.2	88.4	0	0	0	112.3	G1032 R1033 G1040	G1032-L1036 PolarHBondContact O-N 3.48Å; R1033-L1036 PolarHBondContact O-N 3Å; L1036-G1040 PolarHBondContact O-N 3.16Å
1037	E	55.3	Low	53.4	Low	59 Å²	59	69.7 Å²	69.7	28%	0.276	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-46.6	175.2	-75	171.5	171.5	0	0	111.6	S926 R1033 G1040 I1041	S926-E1037 VanDerWaalsContact CB-OE1 3.28Å; S926-E1037 WeakPolarHBondContact CB-OE1 3.5Å; S926-E1037 PolarHBondContact OG-OE1 3.01Å; R1033-E1037 IonicContact NE-OE1 3.98Å; R1033-E1037 WeakPolarHBondContact O-CG 3.29Å; R1033-E1037 PolarHBondContact O-N 3.06Å; E1037-G1040 PolarHBondContact O-N 2.98Å; E1037-I1041 WeakPolarHBondContact O-CB 3.45Å; E1037-I1041 VanDerWaalsContact O-CG1 3.29Å; E1037-I1041 WeakPolarHBondContact O-CG1 3.36Å; E1037-I1041 PolarHBondContact O-N 3.28Å
1038	I	60.6	Low	54.9	Low	88 Å²	88	60.7 Å²	60.7	45%	0.451	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-48.7	176.5	-68.7	165.2	0	0	0	110.7	T1034 I1035 G1040 I1041 A1042 L1142	T1034-I1038 HydrophobicContact CG2-CD1 4.18Å; T1034-I1038 WeakPolarHBondContact O-CB 3.31Å; T1034-I1038 WeakPolarHBondContact O-CD1 3.39Å; T1034-I1038 VanDerWaalsContact O-CG1 3.24Å; T1034-I1038 WeakPolarHBondContact O-CG1 3.36Å; T1034-I1038 PolarHBondContact O-N 3.25Å; I1035-I1038 PolarHBondContact O-N 3.34Å; I1038-G1040 VanDerWaalsContact C-N 3.34Å; I1038-G1040 PolarHBondContact O-N 3.14Å; I1038-I1041 PolarHBondContact O-N 3.01Å; I1038-A1042 WeakPolarHBondContact O-CB 3.25Å; I1038-A1042 PolarHBondContact O-N 3.07Å; I1038-L1142 HydrophobicContact CG2-CD1 4.16Å
1039	C	61.7	Low	56.8	Low	47 Å²	47	51.7 Å²	51.7	32%	0.318	30%	0.296	S	S	.	.	H	α-helix	trans	-61.5	-38.7	178	-71.4	0	0	0	0	113	I1035 L1043	I1035-C1039 WeakPolarHBondContact O-CB 3.47Å; I1035-C1039 PolarHBondContact O-N 3.36Å; I1035-C1039 PolarHBondContact O-SG 2.98Å; C1039-L1043 WeakPolarHBondContact O-CB 3.37Å; C1039-L1043 PolarHBondContact O-N 3.03Å
1040	G	59	Low	58.4	Low	15 Å²	15	43.2 Å²	43.2	16%	0.155	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-42	177.6	0	0	0	0	0	113	L1036 E1037 I1038 A1044	L1036-G1040 PolarHBondContact O-N 3.16Å; E1037-G1040 PolarHBondContact O-N 2.98Å; I1038-G1040 VanDerWaalsContact C-N 3.34Å; I1038-G1040 PolarHBondContact O-N 3.14Å; G1040-A1044 WeakPolarHBondContact O-CB 3.23Å; G1040-A1044 PolarHBondContact O-N 3.37Å; G1040-A1044 VanDerWaalsContact O-N 3.15Å
1041	I	63.3	Low	59.7	Low	48 Å²	48	40 Å²	40	25%	0.246	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-43.3	175.9	-68.2	166	0	0	0	110.8	E1037 I1038 A1044 A1045 F1094	E1037-I1041 WeakPolarHBondContact O-CB 3.45Å; E1037-I1041 VanDerWaalsContact O-CG1 3.29Å; E1037-I1041 WeakPolarHBondContact O-CG1 3.36Å; E1037-I1041 PolarHBondContact O-N 3.28Å; I1038-I1041 PolarHBondContact O-N 3.01Å; I1041-A1044 PolarHBondContact O-N 2.87Å; I1041-A1045 WeakPolarHBondContact O-CB 3.34Å; I1041-A1045 PolarHBondContact O-N 3.08Å; I1041-F1094 HydrophobicContact CG2-CE1 4.13Å
1042	A	64.6	Low	60.7	Low	20 Å²	20	37.9 Å²	37.9	17%	0.165	22%	0.219	C	C	.	.	H	α-helix	trans	-57.1	-53.3	177.6	0	0	0	0	0	111.4	I1038 A1044 A1045 S1046 Q1138	I1038-A1042 WeakPolarHBondContact O-CB 3.25Å; I1038-A1042 PolarHBondContact O-N 3.07Å; A1042-A1044 VanDerWaalsContact C-N 3.34Å; A1042-A1044 PolarHBondContact O-N 3.27Å; A1042-A1045 PolarHBondContact O-N 3.48Å; A1042-A1045 VanDerWaalsContact O-N 3.15Å; A1042-S1046 PolarHBondContact O-N 3.42Å; A1042-S1046 PolarHBondContact O-OG 3.12Å; A1042-Q1138 HydrophobicContact CB-CB 4.14Å; A1042-Q1138 HydrophobicContact CB-CG 4.23Å; A1042-Q1138 PolarHBondContact O-NE2 3.24Å; A1042-Q1138 PolarHBondContact O-OE1 3.05Å
1043	L	64.7	Low	61.8	Low	51 Å²	51	36.4 Å²	36.4	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-60.9	-40.1	179	-173.9	147.1	0	0	0	112.4	L918 C1039 S1046 V1047 I1135	L918-L1043 HydrophobicContact CD2-CD2 4.2Å; C1039-L1043 WeakPolarHBondContact O-CB 3.37Å; C1039-L1043 PolarHBondContact O-N 3.03Å; L1043-S1046 WeakPolarHBondContact CA-OG 3.09Å; L1043-S1046 PolarHBondContact O-N 3.49Å; L1043-S1046 PolarHBondContact O-OG 3.25Å; L1043-V1047 WeakPolarHBondContact O-CG2 3.09Å; L1043-V1047 PolarHBondContact O-N 2.93Å; L1043-I1135 HydrophobicContact CD1-CD1 4.41Å; L1043-I1135 HydrophobicContact CG-CD1 4.41Å
1044	A	62.5	Low	62.9	Low	10 Å²	10	33.6 Å²	33.6	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-44.8	175.1	0	0	0	0	0	111.9	A919 G1040 I1041 A1042 L1048	A919-A1044 HydrophobicContact CB-CB 3.77Å; G1040-A1044 WeakPolarHBondContact O-CB 3.23Å; G1040-A1044 PolarHBondContact O-N 3.37Å; G1040-A1044 VanDerWaalsContact O-N 3.15Å; I1041-A1044 PolarHBondContact O-N 2.87Å; A1042-A1044 VanDerWaalsContact C-N 3.34Å; A1042-A1044 PolarHBondContact O-N 3.27Å; A1044-L1048 VanDerWaalsContact O-CB 3.29Å; A1044-L1048 WeakPolarHBondContact O-CB 3.45Å; A1044-L1048 PolarHBondContact O-N 3.3Å
1045	A	65.4	Low	63.6	Low	20 Å²	20	32.4 Å²	32.4	17%	0.165	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-38.1	178.2	0	0	0	0	0	112.8	I1041 A1042 S1049	I1041-A1045 WeakPolarHBondContact O-CB 3.34Å; I1041-A1045 PolarHBondContact O-N 3.08Å; A1042-A1045 PolarHBondContact O-N 3.48Å; A1042-A1045 VanDerWaalsContact O-N 3.15Å; A1045-S1049 PolarHBondContact O-N 2.79Å; A1045-S1049 PolarHBondContact O-OG 3Å
1046	S	67.3	Low	64.1	Low	2 Å²	2	29.6 Å²	29.6	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-39.5	179	60.4	0	0	0	0	112.9	A1042 L1043 S1049 A1050 I1135	A1042-S1046 PolarHBondContact O-N 3.42Å; A1042-S1046 PolarHBondContact O-OG 3.12Å; L1043-S1046 WeakPolarHBondContact CA-OG 3.09Å; L1043-S1046 PolarHBondContact O-N 3.49Å; L1043-S1046 PolarHBondContact O-OG 3.25Å; S1046-S1049 PolarHBondContact O-OG 3.09Å; S1046-S1049 VanDerWaalsContact O-OG 3.04Å; S1046-A1050 WeakPolarHBondContact O-CB 3.24Å; S1046-A1050 PolarHBondContact O-N 3.29Å; S1046-I1135 WeakPolarHBondContact OG-CG1 3.39Å
1047	V	65.9	Low	64.8	Low	18 Å²	18	26.3 Å²	26.3	11%	0.109	15%	0.153	C	C	.	.	H	α-helix	trans	-74.3	-36.1	177.5	-179.7	0	0	0	0	110.9	L1043 S1049 A1050 S1051	L1043-V1047 WeakPolarHBondContact O-CG2 3.09Å; L1043-V1047 PolarHBondContact O-N 2.93Å; V1047-S1049 PolarHBondContact O-N 3.2Å; V1047-A1050 PolarHBondContact O-N 3.12Å; V1047-S1051 PolarHBondContact O-N 3.46Å
1048	L	64.3	Low	65.2	Low	22 Å²	22	25.4 Å²	25.4	12%	0.115	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-40.1	175.6	-172.1	69.7	0	0	0	112.1	A1044 A1050 S1051 F1052 T1090 L1093	A1044-L1048 VanDerWaalsContact O-CB 3.29Å; A1044-L1048 WeakPolarHBondContact O-CB 3.45Å; A1044-L1048 PolarHBondContact O-N 3.3Å; L1048-A1050 VanDerWaalsContact C-N 3.33Å; L1048-S1051 PolarHBondContact O-OG 2.96Å; L1048-F1052 HydrophobicContact CD1-CE2 4.37Å; L1048-F1052 HydrophobicContact CG-CE2 4.3Å; L1048-F1052 WeakPolarHBondContact O-CD2 3.47Å; L1048-F1052 VanDerWaalsContact O-CE2 3.3Å; L1048-F1052 WeakPolarHBondContact O-CE2 3.5Å; L1048-T1090 HydrophobicContact CD2-CG2 3.7Å; L1048-L1093 HydrophobicContact CD1-CD1 4.39Å; L1048-L1093 HydrophobicContact CD2-CD1 3.92Å; L1048-L1093 HydrophobicContact CD2-CD2 4Å; L1048-L1093 HydrophobicContact CD2-CG 4.45Å
1049	S	67.9	Low	65.4	Low	16 Å²	16	22.2 Å²	22.2	11%	0.112	13%	0.132	C	C	.	.	H	α-helix	trans	-70	-31	174.7	65.8	0	0	0	0	112.6	A1045 S1046 V1047	A1045-S1049 PolarHBondContact O-N 2.79Å; A1045-S1049 PolarHBondContact O-OG 3Å; S1046-S1049 PolarHBondContact O-OG 3.09Å; S1046-S1049 VanDerWaalsContact O-OG 3.04Å; V1047-S1049 PolarHBondContact O-N 3.2Å
1050	A	69.7	Low	65.6	Low	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-76.7	-27.1	-178.4	0	0	0	0	0	114.3	S1046 V1047 L1048 F1052 A1053 C1127 F1130 S1131	S1046-A1050 WeakPolarHBondContact O-CB 3.24Å; S1046-A1050 PolarHBondContact O-N 3.29Å; V1047-A1050 PolarHBondContact O-N 3.12Å; L1048-A1050 VanDerWaalsContact C-N 3.33Å; A1050-F1052 VanDerWaalsContact C-N 3.34Å; A1050-F1052 PolarHBondContact O-N 3.2Å; A1050-A1053 VanDerWaalsContact O-CB 3.23Å; A1050-A1053 WeakPolarHBondContact O-CB 3.46Å; A1050-A1053 PolarHBondContact O-N 3.36Å; A1050-C1127 WeakPolarHBondContact CB-O 3.44Å; A1050-C1127 WeakPolarHBondContact O-CA 3.36Å; A1050-C1127 WeakPolarHBondContact O-CB 3.41Å; A1050-F1130 HydrophobicContact CB-CB 3.78Å; A1050-S1131 WeakPolarHBondContact CB-OG 3.21Å
1051	S	64.2	Low	65.7	Low	40 Å²	40	30.4 Å²	30.4	28%	0.28	15%	0.154	S	C	.	.	H	α-helix	trans	-65.6	-35.1	176.4	64.3	0	0	0	0	112.4	V1047 L1048 A1053 L1054	V1047-S1051 PolarHBondContact O-N 3.46Å; L1048-S1051 PolarHBondContact O-OG 2.96Å; S1051-A1053 VanDerWaalsContact C-N 3.27Å; S1051-A1053 PolarHBondContact O-N 3.34Å; S1051-L1054 WeakPolarHBondContact O-CB 3.43Å; S1051-L1054 PolarHBondContact O-N 3.22Å
1052	F	67.3	Low	65.5	Low	17 Å²	17	34.5 Å²	34.5	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-65.9	-27.7	173.8	-63.6	-71.3	0	0	0	112.9	L1048 A1050 L1054 F1055 V1056 F1085 D1086	L1048-F1052 HydrophobicContact CD1-CE2 4.37Å; L1048-F1052 HydrophobicContact CG-CE2 4.3Å; L1048-F1052 WeakPolarHBondContact O-CD2 3.47Å; L1048-F1052 VanDerWaalsContact O-CE2 3.3Å; L1048-F1052 WeakPolarHBondContact O-CE2 3.5Å; A1050-F1052 VanDerWaalsContact C-N 3.34Å; A1050-F1052 PolarHBondContact O-N 3.2Å; F1052-L1054 VanDerWaalsContact C-N 3.28Å; F1052-L1054 PolarHBondContact O-N 3.44Å; F1052-F1055 WeakPolarHBondContact O-CB 3.44Å; F1052-F1055 PolarHBondContact O-N 2.97Å; F1052-V1056 WeakPolarHBondContact O-CG2 3.42Å; F1052-V1056 PolarHBondContact O-N 3.11Å; F1052-F1085 HydrophobicContact CE1-CD1 4.27Å; F1052-F1085 HydrophobicContact CE1-CE1 4.36Å; F1052-D1086 WeakPolarHBondContact CD1-OD1 3.29Å; F1052-D1086 WeakPolarHBondContact CE1-OD1 3.5Å
1053	A	69	Low	65.2	Low	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-34.7	173.2	0	0	0	0	0	113	A1050 S1051 T1057 V1113 A1126 F1130	A1050-A1053 VanDerWaalsContact O-CB 3.23Å; A1050-A1053 WeakPolarHBondContact O-CB 3.46Å; A1050-A1053 PolarHBondContact O-N 3.36Å; S1051-A1053 VanDerWaalsContact C-N 3.27Å; S1051-A1053 PolarHBondContact O-N 3.34Å; A1053-T1057 WeakPolarHBondContact O-CB 3.35Å; A1053-T1057 WeakPolarHBondContact O-CG2 3.46Å; A1053-T1057 PolarHBondContact O-N 3.26Å; A1053-T1057 VanDerWaalsContact O-N 3.14Å; A1053-T1057 PolarHBondContact O-OG1 3.35Å; A1053-V1113 HydrophobicContact CB-CG1 3.48Å; A1053-V1113 VanDerWaalsContact CB-CG1 3.48Å; A1053-A1126 HydrophobicContact CB-CB 4.11Å; A1053-F1130 HydrophobicContact CB-CD2 3.32Å; A1053-F1130 HydrophobicContact CB-CE2 3.76Å; A1053-F1130 HydrophobicContact CB-CG 4.26Å
1054	L	65.4	Low	64.9	Low	32 Å²	32	36.3 Å²	36.3	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-46.6	175.6	-177.7	64.5	0	0	0	110.3	S1051 F1052 V1056 T1057 E1058 P1123 C1127	S1051-L1054 WeakPolarHBondContact O-CB 3.43Å; S1051-L1054 PolarHBondContact O-N 3.22Å; F1052-L1054 VanDerWaalsContact C-N 3.28Å; F1052-L1054 PolarHBondContact O-N 3.44Å; L1054-V1056 PolarHBondContact O-N 3.23Å; L1054-T1057 PolarHBondContact O-N 3.28Å; L1054-T1057 PolarHBondContact O-OG1 3.17Å; L1054-E1058 HydrophobicContact CD1-CG 4.42Å; L1054-E1058 WeakPolarHBondContact O-CB 3.4Å; L1054-E1058 WeakPolarHBondContact O-CG 3.44Å; L1054-E1058 PolarHBondContact O-N 2.68Å; L1054-P1123 HydrophobicContact CD1-CB 4.47Å; L1054-P1123 VanDerWaalsContact CD1-O 3.24Å; L1054-P1123 WeakPolarHBondContact CD1-O 3.41Å; L1054-C1127 HydrophobicContact CB-CB 4.31Å
1055	F	65.8	Low	64.5	Low	44 Å²	44	39 Å²	39	19%	0.193	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-49	178.1	-179.8	-92.5	0	0	0	112.3	F905 F1052 T1057 E1058 E1059 M1082	F905-F1055 HydrophobicContact CD2-CD2 4.11Å; F905-F1055 HydrophobicContact CD2-CE2 4.37Å; F1052-F1055 WeakPolarHBondContact O-CB 3.44Å; F1052-F1055 PolarHBondContact O-N 2.97Å; F1055-T1057 PolarHBondContact O-N 3.31Å; F1055-E1058 PolarHBondContact O-N 3.3Å; F1055-E1059 HydrophobicContact CD1-CG 4.43Å; F1055-E1059 HydrophobicContact CE1-CG 3.94Å; F1055-E1059 HydrophobicContact CZ-CG 4.1Å; F1055-E1059 PolarHBondContact O-N 3.31Å; F1055-M1082 HydrophobicContact CD1-SD 4.42Å; F1055-M1082 HydrophobicContact CE1-CE 3.74Å; F1055-M1082 HydrophobicContact CE1-SD 3.73Å; F1055-M1082 HydrophobicContact CZ-CE 4.28Å
1056	V	68.3	Low	64.2	Low	1 Å²	1	44.1 Å²	44.1	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-42.8	-180	178.2	0	0	0	0	111.8	F1052 L1054 E1059 H1060 Y1114 S1117	F1052-V1056 WeakPolarHBondContact O-CG2 3.42Å; F1052-V1056 PolarHBondContact O-N 3.11Å; L1054-V1056 PolarHBondContact O-N 3.23Å; V1056-E1059 PolarHBondContact O-N 2.68Å; V1056-H1060 PolarHBondContact O-CD2 2.92Å; V1056-H1060 PolarHBondContact O-N 2.93Å; V1056-Y1114 HydrophobicContact CG2-CD1 3.55Å; V1056-Y1114 HydrophobicContact CG2-CE1 3.37Å; V1056-S1117 WeakPolarHBondContact CG1-OG 3.28Å
1057	T	68.3	Low	63.6	Low	3 Å²	3	48.8 Å²	48.8	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-73.3	-27.7	-179	51.5	0	0	0	0	112.8	A1053 L1054 F1055 R1061 F1120 P1123 A1126	A1053-T1057 WeakPolarHBondContact O-CB 3.35Å; A1053-T1057 WeakPolarHBondContact O-CG2 3.46Å; A1053-T1057 PolarHBondContact O-N 3.26Å; A1053-T1057 VanDerWaalsContact O-N 3.14Å; A1053-T1057 PolarHBondContact O-OG1 3.35Å; L1054-T1057 PolarHBondContact O-N 3.28Å; L1054-T1057 PolarHBondContact O-OG1 3.17Å; F1055-T1057 PolarHBondContact O-N 3.31Å; T1057-R1061 PolarHBondContact O-N 3.31Å; T1057-F1120 HydrophobicContact CG2-CB 4.07Å; T1057-F1120 WeakPolarHBondContact CG2-O 3.47Å; T1057-P1123 VanDerWaalsContact OG1-CA 3.29Å; T1057-P1123 WeakPolarHBondContact OG1-CA 3.37Å; T1057-P1123 WeakPolarHBondContact OG1-CB 3.41Å; T1057-A1126 HydrophobicContact CG2-CB 3.98Å
1058	E	63.5	Low	63.2	Low	39 Å²	39	50.3 Å²	50.3	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-71.9	-40.1	168.7	-72.3	-179.3	120.1	0	0	112.7	K908 L1054 F1055 H1060 R1061 H1062 P1123	K908-E1058 IonicContact NZ-OE1 2.61Å; K908-E1058 PolarHBondContact NZ-OE1 3.37Å; K908-E1058 IonicContact NZ-OE2 2.95Å; K908-E1058 PolarHBondContact NZ-OE2 2.75Å; L1054-E1058 HydrophobicContact CD1-CG 4.42Å; L1054-E1058 WeakPolarHBondContact O-CB 3.4Å; L1054-E1058 WeakPolarHBondContact O-CG 3.44Å; L1054-E1058 PolarHBondContact O-N 2.68Å; F1055-E1058 PolarHBondContact O-N 3.3Å; E1058-H1060 VanDerWaalsContact C-N 3.3Å; E1058-H1060 PolarHBondContact O-N 3.41Å; E1058-R1061 WeakPolarHBondContact O-CB 3.48Å; E1058-R1061 PolarHBondContact O-N 3.42Å; E1058-R1061 VanDerWaalsContact O-N 3.09Å; E1058-H1062 PolarHBondContact O-CD2 3.15Å; E1058-H1062 VanDerWaalsContact O-CD2 3.26Å; E1058-H1062 PolarHBondContact O-N 3.31Å; E1058-P1123 HydrophobicContact CG-CB 4.1Å
1059	E	65.8	Low	63	Low	22 Å²	22	57.2 Å²	57.2	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-40.6	172.2	-81.6	-138.3	104.3	0	0	112.3	F1055 V1056 H1062 N1063 S1064 Q1068 Y1078	F1055-E1059 HydrophobicContact CD1-CG 4.43Å; F1055-E1059 HydrophobicContact CE1-CG 3.94Å; F1055-E1059 HydrophobicContact CZ-CG 4.1Å; F1055-E1059 PolarHBondContact O-N 3.31Å; V1056-E1059 PolarHBondContact O-N 2.68Å; E1059-H1062 PolarHBondContact O-N 2.88Å; E1059-N1063 PolarHBondContact O-N 3.29Å; E1059-S1064 VanDerWaalsContact CA-OG 3.31Å; E1059-S1064 WeakPolarHBondContact CA-OG 3.24Å; E1059-S1064 WeakPolarHBondContact CB-OG 3.33Å; E1059-S1064 VanDerWaalsContact CG-OG 3.31Å; E1059-S1064 WeakPolarHBondContact CG-OG 3.31Å; E1059-S1064 PolarHBondContact O-N 2.97Å; E1059-S1064 PolarHBondContact O-OG 2.96Å; E1059-S1064 VanDerWaalsContact O-OG 3.14Å; E1059-S1064 PolarHBondContact OE1-OG 2.74Å; E1059-Q1068 PolarHBondContact OE1-NE2 2.87Å; E1059-Y1078 WeakPolarHBondContact OE2-CE2 3.3Å; E1059-Y1078 VanDerWaalsContact OE2-CZ 3.31Å; E1059-Y1078 PolarHBondContact OE2-OH 3.33Å
1060	H	65.7	Low	62.5	Low	62 Å²	62	61.9 Å²	61.9	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-47.4	169.7	-80	-72.5	0	0	0	111.7	V1056 E1058 H1062 N1063 R1065 N1118	V1056-H1060 PolarHBondContact O-CD2 2.92Å; V1056-H1060 PolarHBondContact O-N 2.93Å; E1058-H1060 VanDerWaalsContact C-N 3.3Å; E1058-H1060 PolarHBondContact O-N 3.41Å; H1060-H1062 VanDerWaalsContact C-N 3.3Å; H1060-H1062 PolarHBondContact O-N 3.45Å; H1060-N1063 PolarHBondContact O-N 3.47Å; H1060-N1063 VanDerWaalsContact O-N 3.12Å; H1060-R1065 PolarHBondContact CE1-NH1 3.35Å; H1060-R1065 PolarHBondContact NE2-NH1 2.93Å; H1060-N1118 PolarHBondContact NE2-OD1 2.79Å
1061	R	60.5	Low	61.9	Low	171 Å²	171	63.9 Å²	63.9	65%	0.645	31%	0.314	S	S	*	.	H	α-helix	trans	-59	-38.8	179.1	-176.8	-177.4	-176.2	160.2	4.1	112.9	T1057 E1058 N1063	T1057-R1061 PolarHBondContact O-N 3.31Å; E1058-R1061 WeakPolarHBondContact O-CB 3.48Å; E1058-R1061 PolarHBondContact O-N 3.42Å; E1058-R1061 VanDerWaalsContact O-N 3.09Å; R1061-N1063 VanDerWaalsContact C-N 3.28Å; R1061-N1063 PolarHBondContact O-N 3.38Å
1062	H	60.5	Low	61.2	Low	134 Å²	134	65.1 Å²	65.1	62%	0.62	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	3.6	-179.4	-73.8	-71.6	0	0	0	113.9	E1058 E1059 H1060 S1064	E1058-H1062 PolarHBondContact O-CD2 3.15Å; E1058-H1062 VanDerWaalsContact O-CD2 3.26Å; E1058-H1062 PolarHBondContact O-N 3.31Å; E1059-H1062 PolarHBondContact O-N 2.88Å; H1060-H1062 VanDerWaalsContact C-N 3.3Å; H1060-H1062 PolarHBondContact O-N 3.45Å; H1062-S1064 PolarHBondContact O-N 3.48Å
1063	N	58.2	Low	60.9	Low	86 Å²	86	68.4 Å²	68.4	46%	0.46	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	23.2	-171.1	-78.4	-36.4	0	0	0	113.1	E1059 H1060 R1061 R1065 Q1066 L1067	E1059-N1063 PolarHBondContact O-N 3.29Å; H1060-N1063 PolarHBondContact O-N 3.47Å; H1060-N1063 VanDerWaalsContact O-N 3.12Å; R1061-N1063 VanDerWaalsContact C-N 3.28Å; R1061-N1063 PolarHBondContact O-N 3.38Å; N1063-R1065 PolarHBondContact O-N 3.46Å; N1063-Q1066 HydrophobicContact CB-CB 4.4Å; N1063-Q1066 PolarHBondContact O-N 2.8Å; N1063-L1067 PolarHBondContact O-N 3.41Å
1064	S	58.2	Low	60.8	Low	23 Å²	23	70.3 Å²	70.3	16%	0.161	37%	0.365	C	S	.	.	H	α-helix	trans	-62.9	-36.6	-178.3	66.1	0	0	0	0	110.5	E1059 H1062 Q1066 L1067 Q1068	E1059-S1064 VanDerWaalsContact CA-OG 3.31Å; E1059-S1064 WeakPolarHBondContact CA-OG 3.24Å; E1059-S1064 WeakPolarHBondContact CB-OG 3.33Å; E1059-S1064 VanDerWaalsContact CG-OG 3.31Å; E1059-S1064 WeakPolarHBondContact CG-OG 3.31Å; E1059-S1064 PolarHBondContact O-N 2.97Å; E1059-S1064 PolarHBondContact O-OG 2.96Å; E1059-S1064 VanDerWaalsContact O-OG 3.14Å; E1059-S1064 PolarHBondContact OE1-OG 2.74Å; H1062-S1064 PolarHBondContact O-N 3.48Å; S1064-Q1066 PolarHBondContact O-N 2.5Å; S1064-L1067 CarbonylContact O-C 3.57Å; S1064-L1067 WeakPolarHBondContact O-CB 3.3Å; S1064-L1067 PolarHBondContact O-N 3.47Å; S1064-Q1068 WeakPolarHBondContact O-CB 3.46Å; S1064-Q1068 VanDerWaalsContact O-CG 3.27Å; S1064-Q1068 WeakPolarHBondContact O-CG 3.22Å; S1064-Q1068 PolarHBondContact O-N 3.42Å
1065	R	54.2	Low	60.9	Low	66 Å²	66	72.8 Å²	72.8	25%	0.249	38%	0.378	C	S	.	.	H	α-helix	trans	-58.9	-41.1	171.7	-178.7	173	172.7	168.6	-6.1	113.4	H1060 N1063 Y1069 N1118	H1060-R1065 PolarHBondContact CE1-NH1 3.35Å; H1060-R1065 PolarHBondContact NE2-NH1 2.93Å; N1063-R1065 PolarHBondContact O-N 3.46Å; R1065-Y1069 WeakPolarHBondContact O-CB 3.27Å; R1065-Y1069 PolarHBondContact O-N 3.45Å; R1065-N1118 PolarHBondContact NH1-OD1 2.89Å
1066	Q	57.5	Low	61.1	Low	128 Å²	128	78.6 Å²	78.6	60%	0.598	40%	0.399	S	S	*	.	H	α-helix	trans	-67.9	-43.3	174.1	-70	-167.9	-3.6	0	0	110.7	N1063 S1064 Q1068 Y1069 T1070	N1063-Q1066 HydrophobicContact CB-CB 4.4Å; N1063-Q1066 PolarHBondContact O-N 2.8Å; S1064-Q1066 PolarHBondContact O-N 2.5Å; Q1066-Q1068 PolarHBondContact O-N 3.02Å; Q1066-Y1069 PolarHBondContact O-N 3.27Å; Q1066-T1070 WeakPolarHBondContact O-CG2 3.13Å; Q1066-T1070 PolarHBondContact O-N 3.12Å; Q1066-T1070 PolarHBondContact O-OG1 2.8Å
1067	L	55	Low	61	Low	100 Å²	100	81.6 Å²	81.6	52%	0.524	41%	0.414	S	S	.	.	H	α-helix	trans	-60.1	-43.1	176.8	-78.5	159.6	0	0	0	112.5	N1063 S1064 T1070 G1071	N1063-L1067 PolarHBondContact O-N 3.41Å; S1064-L1067 CarbonylContact O-C 3.57Å; S1064-L1067 WeakPolarHBondContact O-CB 3.3Å; S1064-L1067 PolarHBondContact O-N 3.47Å; L1067-T1070 WeakPolarHBondContact CA-OG1 3.36Å; L1067-T1070 PolarHBondContact O-N 2.8Å; L1067-T1070 PolarHBondContact O-OG1 3.49Å; L1067-G1071 PolarHBondContact O-N 2.84Å
1068	Q	59.1	Low	60.8	Low	50 Å²	50	82.1 Å²	82.1	23%	0.234	42%	0.415	C	S	.	.	H	α-helix	trans	-68.2	-38.2	176.8	-71.1	172.8	28.3	0	0	112.2	E1059 S1064 Q1066 G1071 G1072 M1073	E1059-Q1068 PolarHBondContact OE1-NE2 2.87Å; S1064-Q1068 WeakPolarHBondContact O-CB 3.46Å; S1064-Q1068 VanDerWaalsContact O-CG 3.27Å; S1064-Q1068 WeakPolarHBondContact O-CG 3.22Å; S1064-Q1068 PolarHBondContact O-N 3.42Å; Q1066-Q1068 PolarHBondContact O-N 3.02Å; Q1068-G1071 CarbonylContact O-C 3.59Å; Q1068-G1071 WeakPolarHBondContact O-CA 3.29Å; Q1068-G1071 PolarHBondContact O-N 3.16Å; Q1068-G1071 VanDerWaalsContact O-N 3.12Å; Q1068-G1072 PolarHBondContact O-N 2.05Å; Q1068-M1073 HydrophobicContact CB-CE 4Å; Q1068-M1073 HydrophobicContact CG-CE 3.91Å; Q1068-M1073 PolarHBondContact O-N 3.43Å
1069	Y	58.8	Low	61.1	Low	167 Å²	167	83.2 Å²	83.2	66%	0.655	42%	0.418	S	S	*	.	H	α-helix	trans	-64.7	-43.9	173	-172.6	-99	0	0	0	111.8	R1065 Q1066 G1071 G1072	R1065-Y1069 WeakPolarHBondContact O-CB 3.27Å; R1065-Y1069 PolarHBondContact O-N 3.45Å; Q1066-Y1069 PolarHBondContact O-N 3.27Å; Y1069-G1071 PolarHBondContact O-N 2.81Å; Y1069-G1072 PolarHBondContact O-N 2.76Å; Y1069-G1072 VanDerWaalsContact O-N 3.11Å
1070	T	58.2	Low	61.2	Low	115 Å²	115	86 Å²	86	71%	0.706	43%	0.433	S	S	*	.	H	α-helix	trans	-65.6	-22.8	171	55.5	0	0	0	0	113.1	Q1066 L1067 G1072	Q1066-T1070 WeakPolarHBondContact O-CG2 3.13Å; Q1066-T1070 PolarHBondContact O-N 3.12Å; Q1066-T1070 PolarHBondContact O-OG1 2.8Å; L1067-T1070 WeakPolarHBondContact CA-OG1 3.36Å; L1067-T1070 PolarHBondContact O-N 2.8Å; L1067-T1070 PolarHBondContact O-OG1 3.49Å; T1070-G1072 VanDerWaalsContact C-N 3.26Å; T1070-G1072 PolarHBondContact O-N 3.14Å
1071	G	56.7	Low	61.1	Low	41 Å²	41	87 Å²	87	42%	0.423	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	1.6	172.9	0	0	0	0	0	114.8	L1067 Q1068 Y1069	L1067-G1071 PolarHBondContact O-N 2.84Å; Q1068-G1071 CarbonylContact O-C 3.59Å; Q1068-G1071 WeakPolarHBondContact O-CA 3.29Å; Q1068-G1071 PolarHBondContact O-N 3.16Å; Q1068-G1071 VanDerWaalsContact O-N 3.12Å; Y1069-G1071 PolarHBondContact O-N 2.81Å
1072	G	48.7	Very low	61.2	Low	67 Å²	67	80.2 Å²	80.2	69%	0.691	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	7.6	173.2	0	0	0	0	0	116	Q1068 Y1069 T1070 A1074	Q1068-G1072 PolarHBondContact O-N 2.05Å; Y1069-G1072 PolarHBondContact O-N 2.76Å; Y1069-G1072 VanDerWaalsContact O-N 3.11Å; T1070-G1072 VanDerWaalsContact C-N 3.26Å; T1070-G1072 PolarHBondContact O-N 3.14Å; G1072-A1074 PolarHBondContact O-N 3.01Å
1073	M	62.1	Low	61.4	Low	86 Å²	86	76.9 Å²	76.9	42%	0.424	41%	0.406	S	S	.	.			trans	-70.5	126.9	170.6	-80.1	-151.4	-76.2	0	0	111	Q1068	Q1068-M1073 HydrophobicContact CB-CE 4Å; Q1068-M1073 HydrophobicContact CG-CE 3.91Å; Q1068-M1073 PolarHBondContact O-N 3.43Å
1074	A	66.4	Low	61.5	Low	39 Å²	39	77 Å²	77	32%	0.322	41%	0.406	S	S	.	.			trans	-67.5	135.6	171.8	0	0	0	0	0	110	G1072 W1076 I1077 Y1078	G1072-A1074 PolarHBondContact O-N 3.01Å; A1074-W1076 PolarHBondContact O-N 3.16Å; A1074-W1076 VanDerWaalsContact O-N 3.09Å; A1074-I1077 HydrophobicContact CB-CD1 4.03Å; A1074-I1077 HydrophobicContact CB-CG1 4.2Å; A1074-I1077 WeakPolarHBondContact O-CB 3.45Å; A1074-I1077 PolarHBondContact O-N 3.37Å; A1074-Y1078 PolarHBondContact O-N 3.17Å
1075	I	66.6	Low	61.5	Low	84 Å²	84	79.6 Å²	79.6	43%	0.431	41%	0.414	S	S	.	.	H	α-helix	trans	-59.1	-29.7	-170.4	-164.6	165.1	0	0	0	113.8	W1079	I1075-W1079 PolarHBondContact O-N 2.96Å
1076	W	71.6	Confident	61.7	Low	167 Å²	167	76.8 Å²	76.8	63%	0.633	40%	0.404	S	S	*	.	H	α-helix	trans	-71.4	-30.5	176.2	69.1	-96.5	0	0	0	113	A1074 L1080	A1074-W1076 PolarHBondContact O-N 3.16Å; A1074-W1076 VanDerWaalsContact O-N 3.09Å; W1076-L1080 HydrophobicContact CE3-CD2 4.4Å; W1076-L1080 HydrophobicContact CZ3-CD2 4Å; W1076-L1080 WeakPolarHBondContact O-CB 3.45Å; W1076-L1080 PolarHBondContact O-N 3.46Å
1077	I	65.2	Low	61.7	Low	64 Å²	64	73.8 Å²	73.8	33%	0.328	39%	0.392	S	S	.	.	H	α-helix	trans	-67.8	-43.2	176	-59.5	175.6	0	0	0	109.2	A1074 L1080 V1081	A1074-I1077 HydrophobicContact CB-CD1 4.03Å; A1074-I1077 HydrophobicContact CB-CG1 4.2Å; A1074-I1077 WeakPolarHBondContact O-CB 3.45Å; A1074-I1077 PolarHBondContact O-N 3.37Å; I1077-L1080 PolarHBondContact O-N 3.46Å; I1077-V1081 HydrophobicContact CG2-CG2 4.34Å; I1077-V1081 VanDerWaalsContact O-CG2 3.31Å; I1077-V1081 WeakPolarHBondContact O-CG2 3.39Å; I1077-V1081 PolarHBondContact O-N 3.18Å
1078	Y	63.7	Low	61.6	Low	13 Å²	13	73.3 Å²	73.3	5%	0.051	39%	0.393	C	S	.	.	H	α-helix	trans	-55.4	-54.1	174.1	169.3	-96.7	0	0	0	111.5	E1059 A1074 L1080 V1081 M1082	E1059-Y1078 WeakPolarHBondContact OE2-CE2 3.3Å; E1059-Y1078 VanDerWaalsContact OE2-CZ 3.31Å; E1059-Y1078 PolarHBondContact OE2-OH 3.33Å; A1074-Y1078 PolarHBondContact O-N 3.17Å; Y1078-L1080 VanDerWaalsContact C-N 3.33Å; Y1078-L1080 PolarHBondContact O-N 3.42Å; Y1078-V1081 PolarHBondContact O-N 3.42Å; Y1078-M1082 HydrophobicContact CD2-CE 4.16Å; Y1078-M1082 HydrophobicContact CE2-CE 3.65Å; Y1078-M1082 WeakPolarHBondContact O-CG 3.22Å; Y1078-M1082 PolarHBondContact O-N 2.93Å; Y1078-M1082 VanDerWaalsContact O-N 3.16Å
1079	W	71.1	Confident	61.2	Low	63 Å²	63	72.4 Å²	72.4	24%	0.239	39%	0.392	C	S	.	.	H	α-helix	trans	-63.1	-36.6	178.1	-68.7	119.8	0	0	0	113.2	I1075 M1082 L1083 Y1114 N1118	I1075-W1079 PolarHBondContact O-N 2.96Å; W1079-M1082 PolarHBondContact O-N 2.92Å; W1079-L1083 WeakPolarHBondContact O-CB 3.28Å; W1079-L1083 PolarHBondContact O-N 2.98Å; W1079-Y1114 HydrophobicContact CE3-CD1 4.17Å; W1079-Y1114 HydrophobicContact CE3-CG 4.32Å; W1079-Y1114 AromaticContact CZ3-CD1 3.59Å; W1079-Y1114 HydrophobicContact CZ3-CD1 3.59Å; W1079-Y1114 HydrophobicContact CZ3-CE1 4.4Å; W1079-Y1114 AromaticContact CZ3-CG 3.96Å; W1079-Y1114 HydrophobicContact CZ3-CG 3.96Å; W1079-N1118 WeakPolarHBondContact CH2-OD1 3.49Å
1080	L	67.6	Low	60.8	Low	80 Å²	80	64.9 Å²	64.9	42%	0.419	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-43.3	177	-177.5	69.8	0	0	0	111.9	W1076 I1077 Y1078 M1082 L1083 I1084	W1076-L1080 HydrophobicContact CE3-CD2 4.4Å; W1076-L1080 HydrophobicContact CZ3-CD2 4Å; W1076-L1080 WeakPolarHBondContact O-CB 3.45Å; W1076-L1080 PolarHBondContact O-N 3.46Å; I1077-L1080 PolarHBondContact O-N 3.46Å; Y1078-L1080 VanDerWaalsContact C-N 3.33Å; Y1078-L1080 PolarHBondContact O-N 3.42Å; L1080-M1082 VanDerWaalsContact C-N 3.35Å; L1080-L1083 PolarHBondContact O-N 2.87Å; L1080-I1084 HydrophobicContact CD1-CD1 4.18Å; L1080-I1084 HydrophobicContact CD1-CG1 4.44Å; L1080-I1084 HydrophobicContact CD2-CD1 4.43Å; L1080-I1084 HydrophobicContact CG-CD1 3.85Å; L1080-I1084 HydrophobicContact CG-CG1 4.47Å; L1080-I1084 WeakPolarHBondContact O-CB 3.15Å; L1080-I1084 VanDerWaalsContact O-CG1 3.27Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.46Å; L1080-I1084 PolarHBondContact O-N 3.35Å
1081	V	62.5	Low	60.3	Low	82 Å²	82	65.9 Å²	65.9	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-43.5	177.7	168.4	0	0	0	0	110.7	I1077 Y1078 I1084 F1085	I1077-V1081 HydrophobicContact CG2-CG2 4.34Å; I1077-V1081 VanDerWaalsContact O-CG2 3.31Å; I1077-V1081 WeakPolarHBondContact O-CG2 3.39Å; I1077-V1081 PolarHBondContact O-N 3.18Å; Y1078-V1081 PolarHBondContact O-N 3.42Å; V1081-I1084 PolarHBondContact O-N 3.44Å; V1081-F1085 WeakPolarHBondContact O-CB 3.42Å; V1081-F1085 PolarHBondContact O-N 2.86Å; V1081-F1085 VanDerWaalsContact O-N 3.07Å
1082	M	64.2	Low	59.9	Low	29 Å²	29	70.1 Å²	70.1	14%	0.143	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-46	175.9	-62.5	-57.4	164.9	0	0	111.8	F1055 Y1078 W1079 L1080 I1084 F1085 D1086 Y1114	F1055-M1082 HydrophobicContact CD1-SD 4.42Å; F1055-M1082 HydrophobicContact CE1-CE 3.74Å; F1055-M1082 HydrophobicContact CE1-SD 3.73Å; F1055-M1082 HydrophobicContact CZ-CE 4.28Å; Y1078-M1082 HydrophobicContact CD2-CE 4.16Å; Y1078-M1082 HydrophobicContact CE2-CE 3.65Å; Y1078-M1082 WeakPolarHBondContact O-CG 3.22Å; Y1078-M1082 PolarHBondContact O-N 2.93Å; Y1078-M1082 VanDerWaalsContact O-N 3.16Å; W1079-M1082 PolarHBondContact O-N 2.92Å; L1080-M1082 VanDerWaalsContact C-N 3.35Å; M1082-I1084 PolarHBondContact O-N 3.48Å; M1082-F1085 WeakPolarHBondContact O-CB 3.23Å; M1082-F1085 PolarHBondContact O-N 3.49Å; M1082-F1085 VanDerWaalsContact O-N 3.11Å; M1082-D1086 PolarHBondContact O-N 3.26Å; M1082-Y1114 HydrophobicContact CB-CE1 4.22Å
1083	L	63.7	Low	59.9	Low	65 Å²	65	69.3 Å²	69.3	34%	0.34	35%	0.348	S	S	.	.	H	α-helix	trans	-65.6	-36.7	179.1	-178	143.2	0	0	0	113.4	W1079 L1080 F1085 L1087	W1079-L1083 WeakPolarHBondContact O-CB 3.28Å; W1079-L1083 PolarHBondContact O-N 2.98Å; L1080-L1083 PolarHBondContact O-N 2.87Å; L1083-F1085 VanDerWaalsContact C-N 3.3Å; L1083-L1087 HydrophobicContact CD2-CD1 3.76Å; L1083-L1087 PolarHBondContact O-N 2.88Å
1084	I	59.8	Low	59.3	Low	88 Å²	88	66.1 Å²	66.1	45%	0.451	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-39.3	172.6	-71.8	168.3	0	0	0	110.4	L1080 V1081 M1082 L1087 V1088	L1080-I1084 HydrophobicContact CD1-CD1 4.18Å; L1080-I1084 HydrophobicContact CD1-CG1 4.44Å; L1080-I1084 HydrophobicContact CD2-CD1 4.43Å; L1080-I1084 HydrophobicContact CG-CD1 3.85Å; L1080-I1084 HydrophobicContact CG-CG1 4.47Å; L1080-I1084 WeakPolarHBondContact O-CB 3.15Å; L1080-I1084 VanDerWaalsContact O-CG1 3.27Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.46Å; L1080-I1084 PolarHBondContact O-N 3.35Å; V1081-I1084 PolarHBondContact O-N 3.44Å; M1082-I1084 PolarHBondContact O-N 3.48Å; I1084-L1087 PolarHBondContact O-N 3.15Å; I1084-V1088 WeakPolarHBondContact O-CG2 3.39Å; I1084-V1088 PolarHBondContact O-N 3.13Å
1085	F	59.5	Low	58	Low	77 Å²	77	72.3 Å²	72.3	34%	0.338	35%	0.352	S	S	.	.	H	α-helix	trans	-67.4	-37.6	-179.2	-168	-87.8	0	0	0	112.5	F905 F1052 V1081 M1082 L1083 V1088 S1089	F905-F1085 HydrophobicContact CD1-CZ 4.2Å; F905-F1085 AromaticContact CE1-CE1 3.67Å; F905-F1085 HydrophobicContact CE1-CE1 3.67Å; F905-F1085 AromaticContact CE1-CZ 3.48Å; F905-F1085 HydrophobicContact CE1-CZ 3.48Å; F905-F1085 VanDerWaalsContact CE1-CZ 3.48Å; F905-F1085 HydrophobicContact CE2-CE1 4.03Å; F905-F1085 AromaticContact CZ-CE1 3.36Å; F905-F1085 HydrophobicContact CZ-CE1 3.36Å; F905-F1085 AromaticContact CZ-CZ 3.73Å; F905-F1085 HydrophobicContact CZ-CZ 3.73Å; F1052-F1085 HydrophobicContact CE1-CD1 4.27Å; F1052-F1085 HydrophobicContact CE1-CE1 4.36Å; V1081-F1085 WeakPolarHBondContact O-CB 3.42Å; V1081-F1085 PolarHBondContact O-N 2.86Å; V1081-F1085 VanDerWaalsContact O-N 3.07Å; M1082-F1085 WeakPolarHBondContact O-CB 3.23Å; M1082-F1085 PolarHBondContact O-N 3.49Å; M1082-F1085 VanDerWaalsContact O-N 3.11Å; L1083-F1085 VanDerWaalsContact C-N 3.3Å; F1085-V1088 PolarHBondContact O-N 3.25Å; F1085-S1089 WeakPolarHBondContact O-CB 3.43Å; F1085-S1089 PolarHBondContact O-N 3.4Å; F1085-S1089 PolarHBondContact O-OG 3.44Å
1086	D	57.4	Low	56.7	Low	8 Å²	8	77.5 Å²	77.5	4%	0.043	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-41.8	173.2	-69.5	6.1	0	0	0	112.2	F1052 M1082 V1088 S1089 T1090 A1110 Y1114	F1052-D1086 WeakPolarHBondContact CD1-OD1 3.29Å; F1052-D1086 WeakPolarHBondContact CE1-OD1 3.5Å; M1082-D1086 PolarHBondContact O-N 3.26Å; D1086-V1088 VanDerWaalsContact C-N 3.33Å; D1086-V1088 PolarHBondContact O-N 3.43Å; D1086-S1089 PolarHBondContact O-N 3.17Å; D1086-T1090 WeakPolarHBondContact O-CB 3.37Å; D1086-T1090 WeakPolarHBondContact O-CG2 3.47Å; D1086-T1090 PolarHBondContact O-N 3.3Å; D1086-T1090 PolarHBondContact O-OG1 2.77Å; D1086-A1110 WeakPolarHBondContact OD2-CB 3.44Å; D1086-Y1114 PolarHBondContact OD1-OH 3.44Å; D1086-Y1114 WeakPolarHBondContact OD2-CE2 3.41Å; D1086-Y1114 PolarHBondContact OD2-OH 3.39Å
1087	L	57.6	Low	54.9	Low	64 Å²	64	74.1 Å²	74.1	34%	0.335	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-39.4	175.2	-82.1	161.2	0	0	0	112.2	L1083 I1084 T1090 Y1091 V1103	L1083-L1087 HydrophobicContact CD2-CD1 3.76Å; L1083-L1087 PolarHBondContact O-N 2.88Å; I1084-L1087 PolarHBondContact O-N 3.15Å; L1087-T1090 WeakPolarHBondContact CA-OG1 3.32Å; L1087-T1090 PolarHBondContact O-OG1 3.33Å; L1087-T1090 VanDerWaalsContact O-OG1 3.13Å; L1087-Y1091 WeakPolarHBondContact O-CB 3.43Å; L1087-Y1091 PolarHBondContact O-N 3.31Å; L1087-Y1091 VanDerWaalsContact O-N 3.16Å; L1087-V1103 HydrophobicContact CD2-CG1 3.94Å
1088	V	53.1	Low	54.3	Low	91 Å²	91	74.3 Å²	74.3	55%	0.552	37%	0.371	S	S	*	.	H	α-helix	trans	-68.8	-41.4	173.7	173.7	0	0	0	0	111.3	I1084 F1085 D1086 T1090 Y1091	I1084-V1088 WeakPolarHBondContact O-CG2 3.39Å; I1084-V1088 PolarHBondContact O-N 3.13Å; F1085-V1088 PolarHBondContact O-N 3.25Å; D1086-V1088 VanDerWaalsContact C-N 3.33Å; D1086-V1088 PolarHBondContact O-N 3.43Å; V1088-T1090 VanDerWaalsContact C-N 3.31Å; V1088-T1090 PolarHBondContact O-N 3.46Å; V1088-Y1091 WeakPolarHBondContact O-CB 3.37Å; V1088-Y1091 PolarHBondContact O-N 3.22Å
1089	S	50.1	Low	53.4	Low	31 Å²	31	78.1 Å²	78.1	22%	0.217	39%	0.388	C	S	.	.	H	α-helix	trans	-68.8	-29.2	-179.7	-58.3	0	0	0	0	113.2	F1085 D1086	F1085-S1089 WeakPolarHBondContact O-CB 3.43Å; F1085-S1089 PolarHBondContact O-N 3.4Å; F1085-S1089 PolarHBondContact O-OG 3.44Å; D1086-S1089 PolarHBondContact O-N 3.17Å
1090	T	52.1	Low	52.6	Low	8 Å²	8	79.6 Å²	79.6	5%	0.049	40%	0.403	C	S	.	.	H	α-helix	trans	-83	-24.9	176.3	44.3	0	0	0	0	113.2	L1048 D1086 L1087 V1088 D1092 L1093 F1094	L1048-T1090 HydrophobicContact CD2-CG2 3.7Å; D1086-T1090 WeakPolarHBondContact O-CB 3.37Å; D1086-T1090 WeakPolarHBondContact O-CG2 3.47Å; D1086-T1090 PolarHBondContact O-N 3.3Å; D1086-T1090 PolarHBondContact O-OG1 2.77Å; L1087-T1090 WeakPolarHBondContact CA-OG1 3.32Å; L1087-T1090 PolarHBondContact O-OG1 3.33Å; L1087-T1090 VanDerWaalsContact O-OG1 3.13Å; V1088-T1090 VanDerWaalsContact C-N 3.31Å; V1088-T1090 PolarHBondContact O-N 3.46Å; T1090-D1092 VanDerWaalsContact C-N 3.33Å; T1090-D1092 PolarHBondContact O-N 2.72Å; T1090-L1093 PolarHBondContact O-N 3.08Å; T1090-F1094 WeakPolarHBondContact O-CD2 3.32Å
1091	Y	47.5	Very low	52	Low	136 Å²	136	82.3 Å²	82.3	53%	0.533	41%	0.414	S	S	.	.	H	α-helix	trans	-57.5	-42	177.7	179.9	-95.2	0	0	0	112.9	L1087 V1088 L1093 F1099	L1087-Y1091 WeakPolarHBondContact O-CB 3.43Å; L1087-Y1091 PolarHBondContact O-N 3.31Å; L1087-Y1091 VanDerWaalsContact O-N 3.16Å; V1088-Y1091 WeakPolarHBondContact O-CB 3.37Å; V1088-Y1091 PolarHBondContact O-N 3.22Å; Y1091-L1093 VanDerWaalsContact C-N 3.29Å; Y1091-L1093 PolarHBondContact O-N 3.13Å; Y1091-F1099 HydrophobicContact CD2-CE2 4.13Å; Y1091-F1099 AromaticContact CD2-CZ 3.97Å; Y1091-F1099 HydrophobicContact CD2-CZ 3.97Å; Y1091-F1099 HydrophobicContact CE2-CE2 4.31Å; Y1091-F1099 HydrophobicContact CE2-CZ 4.03Å
1092	D	47.5	Very low	51.5	Low	131 Å²	131	79.7 Å²	79.7	70%	0.701	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.9	-178.4	-78.1	-16.1	0	0	0	113.6	T1090	T1090-D1092 VanDerWaalsContact C-N 3.33Å; T1090-D1092 PolarHBondContact O-N 2.72Å
1093	L	48.4	Very low	51.2	Low	49 Å²	49	79.6 Å²	79.6	26%	0.257	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-35.1	-175.7	-122.5	96.5	0	0	0	113.9	I916 L1048 T1090 Y1091 F1095	I916-L1093 HydrophobicContact CD1-CD1 3.96Å; I916-L1093 HydrophobicContact CG1-CD1 3.68Å; I916-L1093 HydrophobicContact CG1-CG 4.46Å; L1048-L1093 HydrophobicContact CD1-CD1 4.39Å; L1048-L1093 HydrophobicContact CD2-CD1 3.92Å; L1048-L1093 HydrophobicContact CD2-CD2 4Å; L1048-L1093 HydrophobicContact CD2-CG 4.45Å; T1090-L1093 PolarHBondContact O-N 3.08Å; Y1091-L1093 VanDerWaalsContact C-N 3.29Å; Y1091-L1093 PolarHBondContact O-N 3.13Å; L1093-F1095 PolarHBondContact O-N 3.07Å
1094	F	49.3	Very low	51	Low	19 Å²	19	82.3 Å²	82.3	8%	0.083	41%	0.407	C	S	.	.			trans	-102.1	33.1	-161	-71.3	-66.1	0	0	0	115	I1041 T1090 R1096 F1099 N1102	I1041-F1094 HydrophobicContact CG2-CE1 4.13Å; T1090-F1094 WeakPolarHBondContact O-CD2 3.32Å; F1094-R1096 PolarHBondContact O-N 3.45Å; F1094-F1099 HydrophobicContact CB-CD2 4.35Å; F1094-N1102 HydrophobicContact CD1-CB 3.51Å; F1094-N1102 WeakPolarHBondContact CD1-ND2 3.14Å; F1094-N1102 HydrophobicContact CD2-CB 4Å; F1094-N1102 HydrophobicContact CE1-CB 3.56Å; F1094-N1102 HydrophobicContact CE2-CB 4.05Å; F1094-N1102 HydrophobicContact CG-CB 3.74Å; F1094-N1102 HydrophobicContact CZ-CB 3.84Å
1095	F	39.5	Very low	51	Low	170 Å²	170	82.7 Å²	82.7	75%	0.746	41%	0.41	S	S	*	.			trans	-64.4	-13.2	-169.4	-148.2	-93	0	0	0	115.8	L1093	L1093-F1095 PolarHBondContact O-N 3.07Å
1096	R	39.6	Very low	51	Low	193 Å²	193	79.8 Å²	79.8	73%	0.728	40%	0.399	S	S	*	.	S	Bend	trans	-142.1	131.4	175.3	-69.1	-172.4	172.3	163.4	-0.6	112.2	F1094	F1094-R1096 PolarHBondContact O-N 3.45Å
1097	T	34.4	Very low	51.2	Low	96 Å²	96	80.8 Å²	80.8	59%	0.589	41%	0.407	S	S	*	.	S	Bend	trans	70.2	130.5	-179.2	63	0	0	0	0	116.5	F1099 N1102	T1097-F1099 VanDerWaalsContact C-N 3.31Å; T1097-F1099 PolarHBondContact O-N 3.46Å; T1097-F1099 VanDerWaalsContact O-N 3.14Å; T1097-N1102 PolarHBondContact O-ND2 3.47Å
1098	S	52.1	Low	51.7	Low	68 Å²	68	80.9 Å²	80.9	48%	0.476	41%	0.412	S	S	.	.			trans	47.7	36.2	175.8	-64.4	0	0	0	0	117.9	V1100 Q1101 N1102	S1098-V1100 VanDerWaalsContact C-N 3.32Å; S1098-V1100 PolarHBondContact O-N 3.38Å; S1098-V1100 VanDerWaalsContact O-N 3.16Å; S1098-Q1101 PolarHBondContact O-N 3.34Å; S1098-Q1101 PolarHBondContact OG-OE1 3.15Å; S1098-N1102 PolarHBondContact O-N 3.36Å; S1098-N1102 PolarHBondContact O-ND2 2.95Å
1099	F	44.9	Very low	52.3	Low	93 Å²	93	78.2 Å²	78.2	41%	0.408	40%	0.4	S	S	.	.	H	α-helix	trans	-40.9	-52.8	177.7	178.6	-98.2	0	0	0	114	Y1091 F1094 T1097 N1102 V1103	Y1091-F1099 HydrophobicContact CD2-CE2 4.13Å; Y1091-F1099 AromaticContact CD2-CZ 3.97Å; Y1091-F1099 HydrophobicContact CD2-CZ 3.97Å; Y1091-F1099 HydrophobicContact CE2-CE2 4.31Å; Y1091-F1099 HydrophobicContact CE2-CZ 4.03Å; F1094-F1099 HydrophobicContact CB-CD2 4.35Å; T1097-F1099 VanDerWaalsContact C-N 3.31Å; T1097-F1099 PolarHBondContact O-N 3.46Å; T1097-F1099 VanDerWaalsContact O-N 3.14Å; F1099-N1102 PolarHBondContact O-N 3.47Å; F1099-V1103 HydrophobicContact CD2-CG2 4.34Å; F1099-V1103 HydrophobicContact CE1-CG2 4.48Å; F1099-V1103 HydrophobicContact CE2-CG2 4.11Å; F1099-V1103 HydrophobicContact CZ-CG2 4.18Å; F1099-V1103 WeakPolarHBondContact O-CB 3.48Å; F1099-V1103 VanDerWaalsContact O-CG2 3.31Å; F1099-V1103 WeakPolarHBondContact O-CG2 3.06Å; F1099-V1103 PolarHBondContact O-N 3.3Å
1100	V	53.7	Low	53.1	Low	93 Å²	93	77.1 Å²	77.1	56%	0.564	39%	0.393	S	S	*	.	H	α-helix	trans	-63.2	-50.5	-176.1	-179.3	0	0	0	0	111.6	S1098 N1102 V1103 F1104	S1098-V1100 VanDerWaalsContact C-N 3.32Å; S1098-V1100 PolarHBondContact O-N 3.38Å; S1098-V1100 VanDerWaalsContact O-N 3.16Å; V1100-N1102 VanDerWaalsContact C-N 3.33Å; V1100-N1102 PolarHBondContact O-N 3.3Å; V1100-V1103 PolarHBondContact O-N 3.34Å; V1100-F1104 HydrophobicContact CG1-CD2 3.76Å; V1100-F1104 HydrophobicContact CG1-CE2 3.83Å; V1100-F1104 VanDerWaalsContact O-CD2 3.29Å; V1100-F1104 WeakPolarHBondContact O-CD2 3.37Å; V1100-F1104 PolarHBondContact O-N 2.91Å; V1100-F1104 VanDerWaalsContact O-N 3.07Å
1101	Q	54.9	Low	54	Low	137 Å²	137	78.7 Å²	78.7	64%	0.64	41%	0.407	S	S	*	.	H	α-helix	trans	-60.7	-43.3	179.9	-73.4	175.4	-44.7	0	0	111.6	S1098 F1104 L1105	S1098-Q1101 PolarHBondContact O-N 3.34Å; S1098-Q1101 PolarHBondContact OG-OE1 3.15Å; Q1101-F1104 PolarHBondContact O-N 3.28Å; Q1101-L1105 WeakPolarHBondContact O-CB 3.47Å; Q1101-L1105 PolarHBondContact O-N 3.17Å
1102	N	53	Low	55.4	Low	27 Å²	27	76.9 Å²	76.9	14%	0.144	41%	0.409	C	S	.	.	H	α-helix	trans	-69.7	-37.5	-177.3	-68.7	-25.1	0	0	0	112.9	F1094 T1097 S1098 F1099 V1100 L1105 S1106	F1094-N1102 HydrophobicContact CD1-CB 3.51Å; F1094-N1102 WeakPolarHBondContact CD1-ND2 3.14Å; F1094-N1102 HydrophobicContact CD2-CB 4Å; F1094-N1102 HydrophobicContact CE1-CB 3.56Å; F1094-N1102 HydrophobicContact CE2-CB 4.05Å; F1094-N1102 HydrophobicContact CG-CB 3.74Å; F1094-N1102 HydrophobicContact CZ-CB 3.84Å; T1097-N1102 PolarHBondContact O-ND2 3.47Å; S1098-N1102 PolarHBondContact O-N 3.36Å; S1098-N1102 PolarHBondContact O-ND2 2.95Å; F1099-N1102 PolarHBondContact O-N 3.47Å; V1100-N1102 VanDerWaalsContact C-N 3.33Å; V1100-N1102 PolarHBondContact O-N 3.3Å; N1102-L1105 PolarHBondContact O-N 3.31Å; N1102-S1106 WeakPolarHBondContact O-CB 3.4Å; N1102-S1106 PolarHBondContact O-N 2.85Å; N1102-S1106 PolarHBondContact O-OG 3.15Å; N1102-S1106 VanDerWaalsContact O-OG 3.11Å
1103	V	56.3	Low	56.6	Low	27 Å²	27	71.1 Å²	71.1	16%	0.164	38%	0.379	C	S	.	.	H	α-helix	trans	-68.3	-38.9	174.6	173.2	0	0	0	0	111.4	L1087 F1099 V1100 S1106 S1107	L1087-V1103 HydrophobicContact CD2-CG1 3.94Å; F1099-V1103 HydrophobicContact CD2-CG2 4.34Å; F1099-V1103 HydrophobicContact CE1-CG2 4.48Å; F1099-V1103 HydrophobicContact CE2-CG2 4.11Å; F1099-V1103 HydrophobicContact CZ-CG2 4.18Å; F1099-V1103 WeakPolarHBondContact O-CB 3.48Å; F1099-V1103 VanDerWaalsContact O-CG2 3.31Å; F1099-V1103 WeakPolarHBondContact O-CG2 3.06Å; F1099-V1103 PolarHBondContact O-N 3.3Å; V1100-V1103 PolarHBondContact O-N 3.34Å; V1103-S1106 WeakPolarHBondContact CA-OG 3.26Å; V1103-S1106 PolarHBondContact O-OG 2.95Å; V1103-S1107 WeakPolarHBondContact O-CB 3.3Å; V1103-S1107 PolarHBondContact O-N 2.84Å; V1103-S1107 VanDerWaalsContact O-N 3.08Å; V1103-S1107 PolarHBondContact O-OG 3.3Å
1104	F	59.9	Low	57.9	Low	122 Å²	122	69.6 Å²	69.6	54%	0.535	37%	0.37	S	S	.	.	H	α-helix	trans	-67.8	-39.1	172.6	-84.7	-70.5	0	0	0	113	T185 V1100 Q1101 S1107 S1108	T185-F1104 HydrophobicContact CG2-CZ 4.44Å; V1100-F1104 HydrophobicContact CG1-CD2 3.76Å; V1100-F1104 HydrophobicContact CG1-CE2 3.83Å; V1100-F1104 VanDerWaalsContact O-CD2 3.29Å; V1100-F1104 WeakPolarHBondContact O-CD2 3.37Å; V1100-F1104 PolarHBondContact O-N 2.91Å; V1100-F1104 VanDerWaalsContact O-N 3.07Å; Q1101-F1104 PolarHBondContact O-N 3.28Å; F1104-S1107 WeakPolarHBondContact CA-OG 3.32Å; F1104-S1107 PolarHBondContact O-OG 3.13Å; F1104-S1108 WeakPolarHBondContact O-CB 3.45Å; F1104-S1108 PolarHBondContact O-N 3.34Å; F1104-S1108 VanDerWaalsContact O-N 3.11Å; F1104-S1108 PolarHBondContact O-OG 2.67Å
1105	L	59.7	Low	59.2	Low	97 Å²	97	75.1 Å²	75.1	51%	0.508	40%	0.4	S	S	.	.	H	α-helix	trans	-65.9	-40.1	176.3	-151.1	82.5	0	0	0	112.1	Q1101 N1102 S1108 A1109	Q1101-L1105 WeakPolarHBondContact O-CB 3.47Å; Q1101-L1105 PolarHBondContact O-N 3.17Å; N1102-L1105 PolarHBondContact O-N 3.31Å; L1105-S1108 WeakPolarHBondContact CA-OG 3.31Å; L1105-S1108 PolarHBondContact O-OG 2.83Å; L1105-A1109 VanDerWaalsContact O-CB 3.29Å; L1105-A1109 WeakPolarHBondContact O-CB 3.32Å; L1105-A1109 PolarHBondContact O-N 3.36Å
1106	S	59.6	Low	61.1	Low	15 Å²	15	68.8 Å²	68.8	11%	0.105	38%	0.379	C	S	.	.	H	α-helix	trans	-70.2	-42.4	178.6	64.1	0	0	0	0	113.1	N1102 V1103 A1109 A1110	N1102-S1106 WeakPolarHBondContact O-CB 3.4Å; N1102-S1106 PolarHBondContact O-N 2.85Å; N1102-S1106 PolarHBondContact O-OG 3.15Å; N1102-S1106 VanDerWaalsContact O-OG 3.11Å; V1103-S1106 WeakPolarHBondContact CA-OG 3.26Å; V1103-S1106 PolarHBondContact O-OG 2.95Å; S1106-A1109 PolarHBondContact O-N 2.97Å; S1106-A1110 WeakPolarHBondContact O-CB 3.46Å; S1106-A1110 PolarHBondContact O-N 3.46Å
1107	S	62.2	Low	62.9	Low	30 Å²	30	59.6 Å²	59.6	21%	0.21	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-36.1	178.3	50	0	0	0	0	113.1	V1103 F1104 A1111	V1103-S1107 WeakPolarHBondContact O-CB 3.3Å; V1103-S1107 PolarHBondContact O-N 2.84Å; V1103-S1107 VanDerWaalsContact O-N 3.08Å; V1103-S1107 PolarHBondContact O-OG 3.3Å; F1104-S1107 WeakPolarHBondContact CA-OG 3.32Å; F1104-S1107 PolarHBondContact O-OG 3.13Å; S1107-A1111 PolarHBondContact O-N 3.37Å
1108	S	67.2	Low	64.6	Low	65 Å²	65	57.7 Å²	57.7	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-68.5	-42.4	171.7	49.6	0	0	0	0	112.5	F1104 L1105 A1111 V1112	F1104-S1108 WeakPolarHBondContact O-CB 3.45Å; F1104-S1108 PolarHBondContact O-N 3.34Å; F1104-S1108 VanDerWaalsContact O-N 3.11Å; F1104-S1108 PolarHBondContact O-OG 2.67Å; L1105-S1108 WeakPolarHBondContact CA-OG 3.31Å; L1105-S1108 PolarHBondContact O-OG 2.83Å; S1108-A1111 PolarHBondContact O-N 3.06Å; S1108-V1112 PolarHBondContact O-N 3.26Å
1109	A	66.6	Low	65.6	Low	35 Å²	35	58.3 Å²	58.3	29%	0.289	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-44.3	173.9	0	0	0	0	0	112.1	L1105 S1106 A1111 V1112 V1113	L1105-A1109 VanDerWaalsContact O-CB 3.29Å; L1105-A1109 WeakPolarHBondContact O-CB 3.32Å; L1105-A1109 PolarHBondContact O-N 3.36Å; S1106-A1109 PolarHBondContact O-N 2.97Å; A1109-A1111 PolarHBondContact O-N 3.37Å; A1109-V1112 PolarHBondContact O-N 3.03Å; A1109-V1113 WeakPolarHBondContact O-CG2 3.43Å; A1109-V1113 PolarHBondContact O-N 3.03Å
1110	A	67.6	Low	67	Low	8 Å²	8	56.4 Å²	56.4	7%	0.066	33%	0.331	C	S	.	.	H	α-helix	trans	-57.7	-47	177	0	0	0	0	0	112.1	D1086 S1106 V1112 V1113 Y1114	D1086-A1110 WeakPolarHBondContact OD2-CB 3.44Å; S1106-A1110 WeakPolarHBondContact O-CB 3.46Å; S1106-A1110 PolarHBondContact O-N 3.46Å; A1110-V1112 VanDerWaalsContact C-N 3.32Å; A1110-V1112 PolarHBondContact O-N 2.77Å; A1110-V1113 PolarHBondContact O-N 3.21Å; A1110-V1113 VanDerWaalsContact O-N 3.15Å; A1110-Y1114 HydrophobicContact CB-CD2 4.48Å; A1110-Y1114 HydrophobicContact CB-CE2 4.24Å; A1110-Y1114 WeakPolarHBondContact O-CD2 3.15Å; A1110-Y1114 PolarHBondContact O-N 3.47Å
1111	A	71.3	Confident	67.6	Low	41 Å²	41	60.4 Å²	60.4	34%	0.339	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-40	177.9	0	0	0	0	0	113.2	S1107 S1108 A1109 Y1114 L1115	S1107-A1111 PolarHBondContact O-N 3.37Å; S1108-A1111 PolarHBondContact O-N 3.06Å; A1109-A1111 PolarHBondContact O-N 3.37Å; A1111-Y1114 PolarHBondContact O-N 2.94Å; A1111-L1115 PolarHBondContact O-N 3.49Å; A1111-L1115 VanDerWaalsContact O-N 3.12Å
1112	V	75.5	Confident	68.2	Low	98 Å²	98	59 Å²	59	59%	0.594	34%	0.34	S	S	*	.	H	α-helix	trans	-67.4	-42.6	175.6	175.4	0	0	0	0	111.2	S1108 A1109 A1110 Y1114 L1115 A1116	S1108-V1112 PolarHBondContact O-N 3.26Å; A1109-V1112 PolarHBondContact O-N 3.03Å; A1110-V1112 VanDerWaalsContact C-N 3.32Å; A1110-V1112 PolarHBondContact O-N 2.77Å; V1112-Y1114 PolarHBondContact O-N 3.45Å; V1112-L1115 PolarHBondContact O-N 3.09Å; V1112-A1116 WeakPolarHBondContact O-CB 3.46Å; V1112-A1116 PolarHBondContact O-N 2.99Å
1113	V	74.1	Confident	68.6	Low	11 Å²	11	58.3 Å²	58.3	7%	0.067	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-37.8	176.4	172.2	0	0	0	0	111.7	A1053 A1109 A1110 A1116 S1117 F1130	A1053-V1113 HydrophobicContact CB-CG1 3.48Å; A1053-V1113 VanDerWaalsContact CB-CG1 3.48Å; A1109-V1113 WeakPolarHBondContact O-CG2 3.43Å; A1109-V1113 PolarHBondContact O-N 3.03Å; A1110-V1113 PolarHBondContact O-N 3.21Å; A1110-V1113 VanDerWaalsContact O-N 3.15Å; V1113-A1116 PolarHBondContact O-N 3.01Å; V1113-S1117 VanDerWaalsContact O-CB 3.23Å; V1113-S1117 WeakPolarHBondContact O-CB 3.41Å; V1113-S1117 PolarHBondContact O-N 2.72Å; V1113-S1117 PolarHBondContact O-OG 3.18Å; V1113-F1130 HydrophobicContact CG1-CD2 4.22Å; V1113-F1130 HydrophobicContact CG1-CG 4.24Å; V1113-F1130 HydrophobicContact CG2-CB 4.48Å; V1113-F1130 HydrophobicContact CG2-CD1 4.12Å; V1113-F1130 HydrophobicContact CG2-CG 4.31Å
1114	Y	74.9	Confident	68.8	Low	16 Å²	16	60 Å²	60	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-41.5	173.2	-77.6	-56.4	0	0	0	112.8	V1056 W1079 M1082 D1086 A1110 A1111 V1112 S1117 N1118	V1056-Y1114 HydrophobicContact CG2-CD1 3.55Å; V1056-Y1114 HydrophobicContact CG2-CE1 3.37Å; W1079-Y1114 HydrophobicContact CE3-CD1 4.17Å; W1079-Y1114 HydrophobicContact CE3-CG 4.32Å; W1079-Y1114 AromaticContact CZ3-CD1 3.59Å; W1079-Y1114 HydrophobicContact CZ3-CD1 3.59Å; W1079-Y1114 HydrophobicContact CZ3-CE1 4.4Å; W1079-Y1114 AromaticContact CZ3-CG 3.96Å; W1079-Y1114 HydrophobicContact CZ3-CG 3.96Å; M1082-Y1114 HydrophobicContact CB-CE1 4.22Å; D1086-Y1114 PolarHBondContact OD1-OH 3.44Å; D1086-Y1114 WeakPolarHBondContact OD2-CE2 3.41Å; D1086-Y1114 PolarHBondContact OD2-OH 3.39Å; A1110-Y1114 HydrophobicContact CB-CD2 4.48Å; A1110-Y1114 HydrophobicContact CB-CE2 4.24Å; A1110-Y1114 WeakPolarHBondContact O-CD2 3.15Å; A1110-Y1114 PolarHBondContact O-N 3.47Å; A1111-Y1114 PolarHBondContact O-N 2.94Å; V1112-Y1114 PolarHBondContact O-N 3.45Å; Y1114-S1117 WeakPolarHBondContact CA-OG 3.33Å; Y1114-S1117 PolarHBondContact O-OG 2.97Å; Y1114-S1117 VanDerWaalsContact O-OG 3.09Å; Y1114-N1118 PolarHBondContact O-ND2 3.29Å
1115	L	76.7	Confident	69.1	Low	135 Å²	135	58.9 Å²	58.9	71%	0.707	34%	0.338	S	S	*	.	H	α-helix	trans	-64.8	-46	175.8	-76.5	166	0	0	0	111.4	A1111 V1112 N1118	A1111-L1115 PolarHBondContact O-N 3.49Å; A1111-L1115 VanDerWaalsContact O-N 3.12Å; V1112-L1115 PolarHBondContact O-N 3.09Å; L1115-N1118 WeakPolarHBondContact O-CB 3.34Å
1116	A	78.8	Confident	69.5	Low	38 Å²	38	54.2 Å²	54.2	31%	0.314	31%	0.314	S	S	.	.	H	α-helix	trans	-72.5	-34.8	-177.5	0	0	0	0	0	113.7	V1112 V1113 N1118 A1119 F1130	V1112-A1116 WeakPolarHBondContact O-CB 3.46Å; V1112-A1116 PolarHBondContact O-N 2.99Å; V1113-A1116 PolarHBondContact O-N 3.01Å; A1116-N1118 PolarHBondContact O-N 3.42Å; A1116-A1119 PolarHBondContact O-N 3.26Å; A1116-A1119 VanDerWaalsContact O-N 3.12Å; A1116-F1130 HydrophobicContact CB-CE1 3.43Å; A1116-F1130 VanDerWaalsContact CB-CE1 3.43Å; A1116-F1130 HydrophobicContact CB-CZ 3.52Å
1117	S	76.6	Confident	69.9	Low	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-21.8	177.5	54.4	0	0	0	0	113.5	V1056 V1113 Y1114 A1119 F1120	V1056-S1117 WeakPolarHBondContact CG1-OG 3.28Å; V1113-S1117 VanDerWaalsContact O-CB 3.23Å; V1113-S1117 WeakPolarHBondContact O-CB 3.41Å; V1113-S1117 PolarHBondContact O-N 2.72Å; V1113-S1117 PolarHBondContact O-OG 3.18Å; Y1114-S1117 WeakPolarHBondContact CA-OG 3.33Å; Y1114-S1117 PolarHBondContact O-OG 2.97Å; Y1114-S1117 VanDerWaalsContact O-OG 3.09Å; S1117-A1119 PolarHBondContact O-N 2.93Å; S1117-F1120 PolarHBondContact O-N 3.05Å; S1117-F1120 VanDerWaalsContact O-N 3.11Å
1118	N	70.6	Confident	70.1	Confident	56 Å²	56	53.8 Å²	53.8	30%	0.299	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.1	171.5	-73.5	-55.6	0	0	0	114.1	H1060 R1065 W1079 Y1114 L1115 A1116	H1060-N1118 PolarHBondContact NE2-OD1 2.79Å; R1065-N1118 PolarHBondContact NH1-OD1 2.89Å; W1079-N1118 WeakPolarHBondContact CH2-OD1 3.49Å; Y1114-N1118 PolarHBondContact O-ND2 3.29Å; L1115-N1118 WeakPolarHBondContact O-CB 3.34Å; A1116-N1118 PolarHBondContact O-N 3.42Å
1119	A	73.5	Confident	70.6	Confident	80 Å²	80	53.5 Å²	53.5	66%	0.661	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.2	176.8	0	0	0	0	0	113	A1116 S1117	A1116-A1119 PolarHBondContact O-N 3.26Å; A1116-A1119 VanDerWaalsContact O-N 3.12Å; S1117-A1119 PolarHBondContact O-N 2.93Å
1120	F	73.9	Confident	71.1	Confident	53 Å²	53	53 Å²	53	23%	0.232	30%	0.296	C	S	.	.			trans	-104.3	97.5	-164.5	-143.2	-86.7	0	0	0	112	T1057 S1117 L1122 A1126 V1129	T1057-F1120 HydrophobicContact CG2-CB 4.07Å; T1057-F1120 WeakPolarHBondContact CG2-O 3.47Å; S1117-F1120 PolarHBondContact O-N 3.05Å; S1117-F1120 VanDerWaalsContact O-N 3.11Å; F1120-L1122 VanDerWaalsContact C-N 3.28Å; F1120-L1122 HydrophobicContact CD1-CB 4.32Å; F1120-L1122 WeakPolarHBondContact CD1-O 3.26Å; F1120-L1122 HydrophobicContact CE1-CB 4.05Å; F1120-L1122 WeakPolarHBondContact CE1-O 3.48Å; F1120-L1122 PolarHBondContact O-N 3.24Å; F1120-A1126 HydrophobicContact CD1-CB 3.81Å; F1120-A1126 HydrophobicContact CE1-CB 4.11Å; F1120-A1126 HydrophobicContact CG-CB 4.48Å; F1120-V1129 HydrophobicContact CE2-CB 4.38Å; F1120-V1129 HydrophobicContact CE2-CG1 4.33Å; F1120-V1129 HydrophobicContact CE2-CG2 4.49Å; F1120-V1129 HydrophobicContact CZ-CB 4.13Å; F1120-V1129 HydrophobicContact CZ-CG2 3.92Å
1121	H	67.6	Low	71.3	Confident	178 Å²	178	53.4 Å²	53.4	82%	0.824	30%	0.298	S	S	*	.			trans	-77.5	-5.4	-177.5	-67.5	-64	0	0	0	115.2	P1123	H1121-P1123 WeakPolarHBondContact O-CD 3.32Å
1122	L	67	Low	71.4	Confident	106 Å²	106	54.6 Å²	54.6	56%	0.555	30%	0.301	S	S	*	.			trans	-113.7	86.9	-172.4	-71.9	174	0	0	0	111.2	F1120 N1124 Y1125 A1126	F1120-L1122 VanDerWaalsContact C-N 3.28Å; F1120-L1122 HydrophobicContact CD1-CB 4.32Å; F1120-L1122 WeakPolarHBondContact CD1-O 3.26Å; F1120-L1122 HydrophobicContact CE1-CB 4.05Å; F1120-L1122 WeakPolarHBondContact CE1-O 3.48Å; F1120-L1122 PolarHBondContact O-N 3.24Å; L1122-N1124 PolarHBondContact O-N 2.76Å; L1122-Y1125 HydrophobicContact CB-CD2 4Å; L1122-Y1125 PolarHBondContact O-N 2.94Å; L1122-Y1125 VanDerWaalsContact O-N 3.09Å; L1122-A1126 PolarHBondContact O-N 2.95Å
1123	P	61	Low	71.5	Confident	13 Å²	13	53.1 Å²	53.1	8%	0.084	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-47.8	-167.9	19.5	-31.3	0	0	0	113.5	L1054 T1057 E1058 H1121 Y1125 A1126	L1054-P1123 HydrophobicContact CD1-CB 4.47Å; L1054-P1123 VanDerWaalsContact CD1-O 3.24Å; L1054-P1123 WeakPolarHBondContact CD1-O 3.41Å; T1057-P1123 VanDerWaalsContact OG1-CA 3.29Å; T1057-P1123 WeakPolarHBondContact OG1-CA 3.37Å; T1057-P1123 WeakPolarHBondContact OG1-CB 3.41Å; E1058-P1123 HydrophobicContact CG-CB 4.1Å; H1121-P1123 WeakPolarHBondContact O-CD 3.32Å; P1123-Y1125 PolarHBondContact O-N 3.38Å; P1123-A1126 WeakPolarHBondContact O-CB 3.45Å; P1123-A1126 PolarHBondContact O-N 3.43Å
1124	N	59.9	Low	71.5	Confident	62 Å²	62	53.4 Å²	53.4	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-11.1	-178.9	-58.2	25.3	0	0	0	114.4	L1122	L1122-N1124 PolarHBondContact O-N 2.76Å
1125	Y	67.9	Low	71.3	Confident	99 Å²	99	54.5 Å²	54.5	39%	0.388	30%	0.304	S	S	.	.	H	α-helix	trans	-108.5	-10.9	179.1	-64.8	-92.3	0	0	0	112.9	L1122 P1123 V1128 V1129	L1122-Y1125 HydrophobicContact CB-CD2 4Å; L1122-Y1125 PolarHBondContact O-N 2.94Å; L1122-Y1125 VanDerWaalsContact O-N 3.09Å; P1123-Y1125 PolarHBondContact O-N 3.38Å; Y1125-V1128 WeakPolarHBondContact O-CB 3.5Å; Y1125-V1128 PolarHBondContact O-N 3.37Å; Y1125-V1129 WeakPolarHBondContact O-CG2 3.38Å; Y1125-V1129 PolarHBondContact O-N 3.16Å
1126	A	67.9	Low	71	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-56.4	-178.7	0	0	0	0	0	111.1	A1053 T1057 F1120 L1122 P1123 V1128 V1129 F1130	A1053-A1126 HydrophobicContact CB-CB 4.11Å; T1057-A1126 HydrophobicContact CG2-CB 3.98Å; F1120-A1126 HydrophobicContact CD1-CB 3.81Å; F1120-A1126 HydrophobicContact CE1-CB 4.11Å; F1120-A1126 HydrophobicContact CG-CB 4.48Å; L1122-A1126 PolarHBondContact O-N 2.95Å; P1123-A1126 WeakPolarHBondContact O-CB 3.45Å; P1123-A1126 PolarHBondContact O-N 3.43Å; A1126-V1128 PolarHBondContact O-N 2.95Å; A1126-V1129 PolarHBondContact O-N 3.34Å; A1126-V1129 VanDerWaalsContact O-N 3.12Å; A1126-F1130 HydrophobicContact CB-CD2 4.24Å; A1126-F1130 HydrophobicContact CB-CE2 4.17Å; A1126-F1130 WeakPolarHBondContact O-CD2 3.46Å; A1126-F1130 PolarHBondContact O-N 3.07Å
1127	C	68.2	Low	70.7	Confident	17 Å²	17	54.9 Å²	54.9	12%	0.115	30%	0.304	C	S	.	.	H	α-helix	trans	-55.3	-39.6	178.4	179.3	0	0	0	0	112.4	A1050 L1054 S1131	A1050-C1127 WeakPolarHBondContact CB-O 3.44Å; A1050-C1127 WeakPolarHBondContact O-CA 3.36Å; A1050-C1127 WeakPolarHBondContact O-CB 3.41Å; L1054-C1127 HydrophobicContact CB-CB 4.31Å; C1127-S1131 WeakPolarHBondContact O-CB 3.34Å; C1127-S1131 PolarHBondContact O-N 2.56Å; C1127-S1131 PolarHBondContact O-OG 3.31Å
1128	V	65.7	Low	70.4	Confident	18 Å²	18	56.9 Å²	56.9	11%	0.109	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-55.5	174	151.6	0	0	0	0	111.9	M388 L391 Y1125 A1126 S1131 V1132	M388-V1128 HydrophobicContact SD-CG2 4.02Å; L391-V1128 HydrophobicContact CB-CG2 4.43Å; L391-V1128 HydrophobicContact CD1-CB 4.3Å; L391-V1128 HydrophobicContact CD1-CG1 3.44Å; L391-V1128 VanDerWaalsContact CD1-CG1 3.44Å; L391-V1128 HydrophobicContact CD1-CG2 3.87Å; L391-V1128 HydrophobicContact CD2-CB 4.47Å; L391-V1128 HydrophobicContact CD2-CG1 3.67Å; L391-V1128 HydrophobicContact CD2-CG2 4.35Å; L391-V1128 HydrophobicContact CG-CG1 4.15Å; L391-V1128 HydrophobicContact CG-CG2 4.43Å; Y1125-V1128 WeakPolarHBondContact O-CB 3.5Å; Y1125-V1128 PolarHBondContact O-N 3.37Å; A1126-V1128 PolarHBondContact O-N 2.95Å; V1128-S1131 PolarHBondContact O-N 3.48Å; V1128-V1132 WeakPolarHBondContact O-CG2 3.41Å; V1128-V1132 PolarHBondContact O-N 3Å
1129	V	76.7	Confident	70.1	Confident	59 Å²	59	58.3 Å²	58.3	36%	0.358	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-42.5	-174.3	172.2	0	0	0	0	110.8	F1120 Y1125 A1126 V1132 V1133	F1120-V1129 HydrophobicContact CE2-CB 4.38Å; F1120-V1129 HydrophobicContact CE2-CG1 4.33Å; F1120-V1129 HydrophobicContact CE2-CG2 4.49Å; F1120-V1129 HydrophobicContact CZ-CB 4.13Å; F1120-V1129 HydrophobicContact CZ-CG2 3.92Å; Y1125-V1129 WeakPolarHBondContact O-CG2 3.38Å; Y1125-V1129 PolarHBondContact O-N 3.16Å; A1126-V1129 PolarHBondContact O-N 3.34Å; A1126-V1129 VanDerWaalsContact O-N 3.12Å; V1129-V1132 PolarHBondContact O-N 3.27Å; V1129-V1133 HydrophobicContact CG1-CG2 4.29Å; V1129-V1133 WeakPolarHBondContact O-CB 3.35Å; V1129-V1133 VanDerWaalsContact O-CG2 3.27Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.07Å; V1129-V1133 PolarHBondContact O-N 3.45Å
1130	F	78.6	Confident	69.8	Low	26 Å²	26	61.7 Å²	61.7	11%	0.114	32%	0.32	C	S	.	.	H	α-helix	trans	-67	-36.3	177.6	-68.2	-59.8	0	0	0	112.9	A1050 A1053 V1113 A1116 A1126 G1134	A1050-F1130 HydrophobicContact CB-CB 3.78Å; A1053-F1130 HydrophobicContact CB-CD2 3.32Å; A1053-F1130 HydrophobicContact CB-CE2 3.76Å; A1053-F1130 HydrophobicContact CB-CG 4.26Å; V1113-F1130 HydrophobicContact CG1-CD2 4.22Å; V1113-F1130 HydrophobicContact CG1-CG 4.24Å; V1113-F1130 HydrophobicContact CG2-CB 4.48Å; V1113-F1130 HydrophobicContact CG2-CD1 4.12Å; V1113-F1130 HydrophobicContact CG2-CG 4.31Å; A1116-F1130 HydrophobicContact CB-CE1 3.43Å; A1116-F1130 VanDerWaalsContact CB-CE1 3.43Å; A1116-F1130 HydrophobicContact CB-CZ 3.52Å; A1126-F1130 HydrophobicContact CB-CD2 4.24Å; A1126-F1130 HydrophobicContact CB-CE2 4.17Å; A1126-F1130 WeakPolarHBondContact O-CD2 3.46Å; A1126-F1130 PolarHBondContact O-N 3.07Å; F1130-G1134 PolarHBondContact O-N 2.96Å
1131	S	70.4	Confident	69.3	Low	16 Å²	16	64.7 Å²	64.7	11%	0.112	34%	0.335	C	S	.	.	H	α-helix	trans	-63	-48.6	173.4	-63.2	0	0	0	0	111.5	A1050 C1127 V1128 G1134 I1135	A1050-S1131 WeakPolarHBondContact CB-OG 3.21Å; C1127-S1131 WeakPolarHBondContact O-CB 3.34Å; C1127-S1131 PolarHBondContact O-N 2.56Å; C1127-S1131 PolarHBondContact O-OG 3.31Å; V1128-S1131 PolarHBondContact O-N 3.48Å; S1131-G1134 PolarHBondContact O-N 3.27Å; S1131-I1135 VanDerWaalsContact O-CG1 3.25Å; S1131-I1135 WeakPolarHBondContact O-CG1 3.44Å; S1131-I1135 PolarHBondContact O-N 3.18Å
1132	V	73.1	Confident	69	Low	66 Å²	66	57.8 Å²	57.8	40%	0.4	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-46.6	-180	172.6	0	0	0	0	110.9	L391 V1128 V1129 G1134 I1135 T1136	L391-V1132 HydrophobicContact CD2-CG2 3.82Å; V1128-V1132 WeakPolarHBondContact O-CG2 3.41Å; V1128-V1132 PolarHBondContact O-N 3Å; V1129-V1132 PolarHBondContact O-N 3.27Å; V1132-G1134 PolarHBondContact O-N 3.27Å; V1132-I1135 PolarHBondContact O-N 3.44Å; V1132-T1136 HydrophobicContact CG1-CG2 4.46Å; V1132-T1136 WeakPolarHBondContact O-CG2 3.35Å; V1132-T1136 PolarHBondContact O-N 3.42Å; V1132-T1136 PolarHBondContact O-OG1 2.94Å
1133	V	78.5	Confident	68.8	Low	66 Å²	66	56.3 Å²	56.3	40%	0.4	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-47.4	176.9	170.7	0	0	0	0	110.6	V1129 I1135 T1136 L1137	V1129-V1133 HydrophobicContact CG1-CG2 4.29Å; V1129-V1133 WeakPolarHBondContact O-CB 3.35Å; V1129-V1133 VanDerWaalsContact O-CG2 3.27Å; V1129-V1133 WeakPolarHBondContact O-CG2 3.07Å; V1129-V1133 PolarHBondContact O-N 3.45Å; V1133-I1135 PolarHBondContact O-N 3.37Å; V1133-T1136 WeakPolarHBondContact CA-OG1 3.23Å; V1133-T1136 PolarHBondContact O-N 3.14Å; V1133-T1136 PolarHBondContact O-OG1 3.39Å; V1133-L1137 HydrophobicContact CG1-CD1 3.85Å; V1133-L1137 HydrophobicContact CG1-CG 4.4Å; V1133-L1137 WeakPolarHBondContact O-CG 3.19Å; V1133-L1137 PolarHBondContact O-N 2.83Å
1134	G	73.6	Confident	68.9	Low	17 Å²	17	60.9 Å²	60.9	18%	0.175	32%	0.319	C	S	.	.	H	α-helix	trans	-57.1	-48.2	177	0	0	0	0	0	113.1	F1130 S1131 V1132 T1136 L1137 Q1138	F1130-G1134 PolarHBondContact O-N 2.96Å; S1131-G1134 PolarHBondContact O-N 3.27Å; V1132-G1134 PolarHBondContact O-N 3.27Å; G1134-T1136 PolarHBondContact O-N 2.82Å; G1134-L1137 PolarHBondContact O-N 3.13Å; G1134-Q1138 VanDerWaalsContact O-CG 3.29Å; G1134-Q1138 WeakPolarHBondContact O-CG 3.25Å; G1134-Q1138 PolarHBondContact O-N 3.39Å; G1134-Q1138 VanDerWaalsContact O-N 3.07Å; G1134-Q1138 PolarHBondContact O-OE1 3.46Å
1135	I	70.4	Confident	68.9	Low	40 Å²	40	63.8 Å²	63.8	21%	0.205	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-44	176.5	-67.6	165.6	0	0	0	110.9	L1043 S1046 S1131 V1132 V1133 L1137 Q1138 L1139	L1043-I1135 HydrophobicContact CD1-CD1 4.41Å; L1043-I1135 HydrophobicContact CG-CD1 4.41Å; S1046-I1135 WeakPolarHBondContact OG-CG1 3.39Å; S1131-I1135 VanDerWaalsContact O-CG1 3.25Å; S1131-I1135 WeakPolarHBondContact O-CG1 3.44Å; S1131-I1135 PolarHBondContact O-N 3.18Å; V1132-I1135 PolarHBondContact O-N 3.44Å; V1133-I1135 PolarHBondContact O-N 3.37Å; I1135-L1137 PolarHBondContact O-N 2.98Å; I1135-Q1138 PolarHBondContact O-N 3.05Å; I1135-L1139 HydrophobicContact CG2-CD1 3.82Å; I1135-L1139 HydrophobicContact CG2-CG 4.33Å; I1135-L1139 WeakPolarHBondContact O-CB 3.33Å; I1135-L1139 VanDerWaalsContact O-CG 3.3Å; I1135-L1139 WeakPolarHBondContact O-CG 3.35Å; I1135-L1139 PolarHBondContact O-N 3.17Å
1136	T	72.3	Confident	68.3	Low	75 Å²	75	62.4 Å²	62.4	46%	0.46	33%	0.329	S	S	.	.	H	α-helix	trans	-65.7	-38.3	-179.8	55.5	0	0	0	0	113.2	V1132 V1133 G1134 F1140	V1132-T1136 HydrophobicContact CG1-CG2 4.46Å; V1132-T1136 WeakPolarHBondContact O-CG2 3.35Å; V1132-T1136 PolarHBondContact O-N 3.42Å; V1132-T1136 PolarHBondContact O-OG1 2.94Å; V1133-T1136 WeakPolarHBondContact CA-OG1 3.23Å; V1133-T1136 PolarHBondContact O-N 3.14Å; V1133-T1136 PolarHBondContact O-OG1 3.39Å; G1134-T1136 PolarHBondContact O-N 2.82Å; T1136-F1140 WeakPolarHBondContact O-CB 3.48Å; T1136-F1140 PolarHBondContact O-N 2.84Å
1137	L	72.3	Confident	67.4	Low	106 Å²	106	67.3 Å²	67.3	56%	0.555	36%	0.356	S	S	*	.	H	α-helix	trans	-65.3	-46.3	176.1	-70.9	169.4	0	0	0	111.2	V1133 G1134 I1135 L1139 F1140 E1141	V1133-L1137 HydrophobicContact CG1-CD1 3.85Å; V1133-L1137 HydrophobicContact CG1-CG 4.4Å; V1133-L1137 WeakPolarHBondContact O-CG 3.19Å; V1133-L1137 PolarHBondContact O-N 2.83Å; G1134-L1137 PolarHBondContact O-N 3.13Å; I1135-L1137 PolarHBondContact O-N 2.98Å; L1137-L1139 PolarHBondContact O-N 3.1Å; L1137-F1140 WeakPolarHBondContact O-CB 3.42Å; L1137-F1140 PolarHBondContact O-N 2.86Å; L1137-F1140 VanDerWaalsContact O-N 3.15Å; L1137-E1141 PolarHBondContact O-N 2.97Å
1138	Q	68.5	Low	66.7	Low	42 Å²	42	69 Å²	69	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-64.5	-38.2	178.1	-69.3	167.4	-22.7	0	0	112.6	A1042 G1134 I1135 F1140 L1142	A1042-Q1138 HydrophobicContact CB-CB 4.14Å; A1042-Q1138 HydrophobicContact CB-CG 4.23Å; A1042-Q1138 PolarHBondContact O-NE2 3.24Å; A1042-Q1138 PolarHBondContact O-OE1 3.05Å; G1134-Q1138 VanDerWaalsContact O-CG 3.29Å; G1134-Q1138 WeakPolarHBondContact O-CG 3.25Å; G1134-Q1138 PolarHBondContact O-N 3.39Å; G1134-Q1138 VanDerWaalsContact O-N 3.07Å; G1134-Q1138 PolarHBondContact O-OE1 3.46Å; I1135-Q1138 PolarHBondContact O-N 3.05Å; Q1138-F1140 VanDerWaalsContact C-N 3.35Å; Q1138-L1142 WeakPolarHBondContact O-CB 3.4Å; Q1138-L1142 PolarHBondContact O-N 3.18Å
1139	L	64.5	Low	65.8	Low	86 Å²	86	72.6 Å²	72.6	45%	0.45	38%	0.383	S	S	.	.	H	α-helix	trans	-65.3	-38.1	172.6	-74.2	172.2	0	0	0	111.9	I1135 L1137 L1142 V1143	I1135-L1139 HydrophobicContact CG2-CD1 3.82Å; I1135-L1139 HydrophobicContact CG2-CG 4.33Å; I1135-L1139 WeakPolarHBondContact O-CB 3.33Å; I1135-L1139 VanDerWaalsContact O-CG 3.3Å; I1135-L1139 WeakPolarHBondContact O-CG 3.35Å; I1135-L1139 PolarHBondContact O-N 3.17Å; L1137-L1139 PolarHBondContact O-N 3.1Å; L1139-L1142 PolarHBondContact O-N 2.9Å; L1139-V1143 WeakPolarHBondContact O-CG2 3.38Å; L1139-V1143 PolarHBondContact O-N 2.89Å
1140	F	67.1	Low	64.1	Low	151 Å²	151	72.4 Å²	72.4	66%	0.662	39%	0.388	S	S	*	.	H	α-helix	trans	-66.9	-43	176.8	-169.5	-93.8	0	0	0	111.9	T1136 L1137 Q1138 V1143 H1144	T1136-F1140 WeakPolarHBondContact O-CB 3.48Å; T1136-F1140 PolarHBondContact O-N 2.84Å; L1137-F1140 WeakPolarHBondContact O-CB 3.42Å; L1137-F1140 PolarHBondContact O-N 2.86Å; L1137-F1140 VanDerWaalsContact O-N 3.15Å; Q1138-F1140 VanDerWaalsContact C-N 3.35Å; F1140-V1143 PolarHBondContact O-N 2.93Å; F1140-H1144 WeakPolarHBondContact O-CB 3.08Å; F1140-H1144 PolarHBondContact O-N 3.45Å
1141	E	63.5	Low	62.4	Low	116 Å²	116	75.4 Å²	75.4	54%	0.542	41%	0.412	S	S	.	.	H	α-helix	trans	-62.5	-41.7	172.8	-73.4	-169.5	155.8	0	0	112.3	L1137 H1144 H1145	L1137-E1141 PolarHBondContact O-N 2.97Å; E1141-H1144 PolarHBondContact O-N 2.93Å; E1141-H1145 WeakPolarHBondContact O-CB 3.2Å; E1141-H1145 PolarHBondContact O-CD2 3.11Å; E1141-H1145 PolarHBondContact O-N 2.99Å
1142	L	61.7	Low	61	Low	33 Å²	33	82.1 Å²	82.1	17%	0.173	44%	0.442	C	S	.	.	H	α-helix	trans	-60.7	-46.7	175.6	-175.1	73.4	0	0	0	111.4	I1035 I1038 Q1138 L1139 H1144 H1145 L1146	I1035-L1142 HydrophobicContact CG2-CD2 4.28Å; I1038-L1142 HydrophobicContact CG2-CD1 4.16Å; Q1138-L1142 WeakPolarHBondContact O-CB 3.4Å; Q1138-L1142 PolarHBondContact O-N 3.18Å; L1139-L1142 PolarHBondContact O-N 2.9Å; L1142-H1144 VanDerWaalsContact C-N 3.34Å; L1142-H1145 PolarHBondContact O-N 2.87Å; L1142-L1146 HydrophobicContact CG-CD1 4.16Å; L1142-L1146 WeakPolarHBondContact O-CB 3.23Å; L1142-L1146 VanDerWaalsContact O-CG 3.26Å; L1142-L1146 WeakPolarHBondContact O-CG 3.25Å; L1142-L1146 PolarHBondContact O-N 3.09Å
1143	V	63.2	Low	59.2	Low	75 Å²	75	85.2 Å²	85.2	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-63.2	-40.5	175.5	169.8	0	0	0	0	111.1	L1139 F1140 L1146 N1147	L1139-V1143 WeakPolarHBondContact O-CG2 3.38Å; L1139-V1143 PolarHBondContact O-N 2.89Å; F1140-V1143 PolarHBondContact O-N 2.93Å; V1143-L1146 PolarHBondContact O-N 3.33Å; V1143-N1147 VanDerWaalsContact O-CB 3.31Å; V1143-N1147 WeakPolarHBondContact O-CB 3.3Å; V1143-N1147 VanDerWaalsContact O-CG 3.22Å; V1143-N1147 PolarHBondContact O-N 3.37Å
1144	H	63.9	Low	56.7	Low	109 Å²	109	86.1 Å²	86.1	51%	0.505	47%	0.466	S	S	.	.	H	α-helix	trans	-63.5	-44.1	175.7	-171.7	-80.4	0	0	0	111.7	F1140 E1141 L1142 N1147 V1148	F1140-H1144 WeakPolarHBondContact O-CB 3.08Å; F1140-H1144 PolarHBondContact O-N 3.45Å; E1141-H1144 PolarHBondContact O-N 2.93Å; L1142-H1144 VanDerWaalsContact C-N 3.34Å; H1144-N1147 PolarHBondContact O-N 2.87Å; H1144-V1148 WeakPolarHBondContact O-CB 3.48Å; H1144-V1148 VanDerWaalsContact O-CG2 3.31Å; H1144-V1148 WeakPolarHBondContact O-CG2 3.27Å; H1144-V1148 PolarHBondContact O-N 2.64Å
1145	H	58.8	Low	54.6	Low	122 Å²	122	93.5 Å²	93.5	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-63.2	-42.2	174.9	-87.9	-69.2	0	0	0	112.6	E1141 L1142 V1148 L1149	E1141-H1145 WeakPolarHBondContact O-CB 3.2Å; E1141-H1145 PolarHBondContact O-CD2 3.11Å; E1141-H1145 PolarHBondContact O-N 2.99Å; L1142-H1145 PolarHBondContact O-N 2.87Å; H1145-V1148 PolarHBondContact O-N 3.45Å; H1145-L1149 WeakPolarHBondContact O-CB 3.32Å; H1145-L1149 VanDerWaalsContact O-CG 3.28Å; H1145-L1149 WeakPolarHBondContact O-CG 3.38Å; H1145-L1149 PolarHBondContact O-N 3.11Å
1146	L	55.1	Low	52.6	Low	70 Å²	70	97.6 Å²	97.6	37%	0.366	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-41.4	174.3	-70.8	168.6	0	0	0	111.6	I1035 L1142 V1143 L1149 A1150	I1035-L1146 HydrophobicContact CD1-CD2 4.47Å; L1142-L1146 HydrophobicContact CG-CD1 4.16Å; L1142-L1146 WeakPolarHBondContact O-CB 3.23Å; L1142-L1146 VanDerWaalsContact O-CG 3.26Å; L1142-L1146 WeakPolarHBondContact O-CG 3.25Å; L1142-L1146 PolarHBondContact O-N 3.09Å; V1143-L1146 PolarHBondContact O-N 3.33Å; L1146-L1149 PolarHBondContact O-N 3.47Å; L1146-A1150 VanDerWaalsContact O-CB 3.31Å; L1146-A1150 WeakPolarHBondContact O-CB 3.43Å; L1146-A1150 PolarHBondContact O-N 3.14Å
1147	N	50	Low	50.5	Low	103 Å²	103	98.9 Å²	98.9	55%	0.551	54%	0.535	S	S	*	.	H	α-helix	trans	-68.1	-34.9	175.5	-74.2	-12.4	0	0	0	112.6	V1143 H1144 A1150 S1151	V1143-N1147 VanDerWaalsContact O-CB 3.31Å; V1143-N1147 WeakPolarHBondContact O-CB 3.3Å; V1143-N1147 VanDerWaalsContact O-CG 3.22Å; V1143-N1147 PolarHBondContact O-N 3.37Å; H1144-N1147 PolarHBondContact O-N 2.87Å; N1147-A1150 PolarHBondContact O-N 3.09Å; N1147-S1151 WeakPolarHBondContact O-CB 3.27Å; N1147-S1151 PolarHBondContact O-N 2.97Å; N1147-S1151 PolarHBondContact O-OG 3.13Å; N1147-S1151 VanDerWaalsContact O-OG 3.12Å
1148	V	51.9	Low	48.3	Very low	52 Å²	52	109.5 Å²	109.5	32%	0.315	57%	0.568	S	S	.	*	H	α-helix	trans	-68.3	-43.4	173.8	169.6	0	0	0	0	110.5	H1144 H1145 A1150 S1151 Q1152	H1144-V1148 WeakPolarHBondContact O-CB 3.48Å; H1144-V1148 VanDerWaalsContact O-CG2 3.31Å; H1144-V1148 WeakPolarHBondContact O-CG2 3.27Å; H1144-V1148 PolarHBondContact O-N 2.64Å; H1145-V1148 PolarHBondContact O-N 3.45Å; V1148-A1150 PolarHBondContact O-N 3.5Å; V1148-S1151 WeakPolarHBondContact CA-OG 3.4Å; V1148-S1151 PolarHBondContact O-N 3.3Å; V1148-S1151 PolarHBondContact O-OG 3.48Å; V1148-Q1152 PolarHBondContact O-N 3.25Å
1149	L	48.1	Very low	47.2	Very low	94 Å²	94	112.9 Å²	112.9	49%	0.492	59%	0.587	S	S	.	*	H	α-helix	trans	-62.8	-41.1	174.3	-71.1	166.5	0	0	0	111.8	H1145 L1146 Q1152 Q1153	H1145-L1149 WeakPolarHBondContact O-CB 3.32Å; H1145-L1149 VanDerWaalsContact O-CG 3.28Å; H1145-L1149 WeakPolarHBondContact O-CG 3.38Å; H1145-L1149 PolarHBondContact O-N 3.11Å; L1146-L1149 PolarHBondContact O-N 3.47Å; L1149-Q1152 PolarHBondContact O-N 3.29Å; L1149-Q1153 PolarHBondContact O-N 3.08Å
1150	A	41.5	Very low	46.3	Very low	55 Å²	55	114.3 Å²	114.3	46%	0.455	59%	0.594	S	S	.	*	H	α-helix	trans	-65.5	-40.2	173.7	0	0	0	0	0	112.5	L1146 N1147 V1148 Q1152 Q1153	L1146-A1150 VanDerWaalsContact O-CB 3.31Å; L1146-A1150 WeakPolarHBondContact O-CB 3.43Å; L1146-A1150 PolarHBondContact O-N 3.14Å; N1147-A1150 PolarHBondContact O-N 3.09Å; V1148-A1150 PolarHBondContact O-N 3.5Å; A1150-Q1152 VanDerWaalsContact C-N 3.3Å; A1150-Q1152 PolarHBondContact O-N 2.93Å; A1150-Q1153 CarbonylContact O-C 3.58Å; A1150-Q1153 VanDerWaalsContact O-C 3.24Å; A1150-Q1153 WeakPolarHBondContact O-CA 3.47Å; A1150-Q1153 PolarHBondContact O-N 3.17Å
1151	S	42.5	Very low	45.2	Very low	89 Å²	89	112.3 Å²	112.3	62%	0.622	59%	0.59	S	S	*	*	H	α-helix	trans	-70.7	-23.6	177.7	64.1	0	0	0	0	113.6	N1147 V1148 Q1153	N1147-S1151 WeakPolarHBondContact O-CB 3.27Å; N1147-S1151 PolarHBondContact O-N 2.97Å; N1147-S1151 PolarHBondContact O-OG 3.13Å; N1147-S1151 VanDerWaalsContact O-OG 3.12Å; V1148-S1151 WeakPolarHBondContact CA-OG 3.4Å; V1148-S1151 PolarHBondContact O-N 3.3Å; V1148-S1151 PolarHBondContact O-OG 3.48Å; S1151-Q1153 VanDerWaalsContact C-N 3.33Å
1152	Q	41	Very low	44.1	Very low	158 Å²	158	112.1 Å²	112.1	74%	0.738	59%	0.593	S	S	*	*	H	α-helix	trans	-78.7	-14.3	168	-69	-171.7	3.5	0	0	113.4	V1148 L1149 A1150	V1148-Q1152 PolarHBondContact O-N 3.25Å; L1149-Q1152 PolarHBondContact O-N 3.29Å; A1150-Q1152 VanDerWaalsContact C-N 3.3Å; A1150-Q1152 PolarHBondContact O-N 2.93Å
1153	Q	34	Very low	43	Very low	131 Å²	131	117 Å²	117	61%	0.612	62%	0.619	S	S	*	*	S	Bend	trans	-109.5	79.7	172.8	-68.1	-168.8	-8.3	0	0	110.7	L1149 A1150 S1151 F1155	L1149-Q1153 PolarHBondContact O-N 3.08Å; A1150-Q1153 CarbonylContact O-C 3.58Å; A1150-Q1153 VanDerWaalsContact O-C 3.24Å; A1150-Q1153 WeakPolarHBondContact O-CA 3.47Å; A1150-Q1153 PolarHBondContact O-N 3.17Å; S1151-Q1153 VanDerWaalsContact C-N 3.33Å; Q1153-F1155 PolarHBondContact O-N 2.99Å
1154	A	26.6	Very low	41.7	Very low	84 Å²	84	119.8 Å²	119.8	69%	0.694	63%	0.63	S	S	*	*			trans	-53.9	93.8	-169.5	0	0	0	0	0	115.9
1155	F	29.5	Very low	40.1	Very low	172 Å²	172	120.6 Å²	120.6	75%	0.754	64%	0.639	S	S	*	*			trans	-147.4	121.4	160.3	-89.4	-73.6	0	0	0	111.7	Q1153 S1157	Q1153-F1155 PolarHBondContact O-N 2.99Å; F1155-S1157 PolarHBondContact O-N 3.22Å
1156	P	28.8	Very low	38.6	Very low	126 Å²	126	120.5 Å²	120.5	82%	0.818	65%	0.645	S	S	*	*			trans	-97.4	85.1	-178.2	36	-32	0	0	0	112.6
1157	S	27.4	Very low	37.3	Very low	103 Å²	103	124.7 Å²	124.7	72%	0.72	67%	0.668	S	S	*	*			trans	-174.2	68	164.7	61.5	0	0	0	0	113.8	F1155	F1155-S1157 PolarHBondContact O-N 3.22Å
1158	W	26	Very low	36.1	Very low	329 Å²	329	126.6 Å²	126.6	100%	1.246	68%	0.679	S	S	*	*			trans	-140.2	0	166.1	-96.1	71.9	0	0	0	109.7

Retrieved 1,158 of 1,158 residues in 674 ms (Link to these results)

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