A0A087Y5Z4_POEFO Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A087Y5Z4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,134 aa.

						>A0A087Y5Z4_POEFO|A0A087Y5Z4
MADSIPLNPVRKSSRRTANYSSARLSRFSLEDEPSNLDEMPLMMSEEGFENDESDYQTLPRARRGQRRLGLGWFLLGGWEVLCTSCCDCLAHVCRRKKEMKARTVWLGRPEKCEEKFPKNGIKNQKYNVLTFVPGVLYQQFKFFLNLYFLVVSCSQFVPALKIGYLYTYWAPLGFVLAVTMVREAVDEVRRHQRDKEMNSQLYSKLTVRGKVQVKSSDIQVGDLIIVEKNQRIPADMIFLRTSEKTGACFIRTEQLDGETDWKLKVAVSCTQCLAAVGDLFSISAFVYAQKPQLDIHSFEGNFTREDVEPQIHESLSIDNTLWASAVVASGTVIGVVIYTGKETRSVLNTSHAKNKVGLLDLELNRLTKALFLAQLVLSIVMVALQGFVGPWFRNLFRFVVLFSYIIPISLRVNLDMGKSAYGWMITRDENIPGTVVRTSTIPEELGRLVYLLTDKTGTLTQNEMVFKRLHLGTVAYGNDTMDEIQSHIVQSYAQGPTQPSGGGTGNAAVARSNPPQGPKVRKSVSSRIHEAVKAVALCHNVTPVYESHAAAGETESAEADQDFSDDNRTYQASSPDEVALVRWTESVGLTLVNRDLTSLQLRTPSGQILSFLILQVFPFTSESKRMGIIVREEATGEITFYMKGADVAMATIVQYNDWLEEECGNMAREGLRTLVVAKKCLSEEQYQDFESRYSQAKLSLLDRTLKVAAVVESLEREMELLCLTGVEDQLQADVRPTLELLRNAGIKIWMLTGDKMETATCIAKSSHLVSRTQDVHVFKPVCSRGEAHLELNAFRRKHDCALVVSGDSLEVCLRYYEHEFVELACQCPAVVCCRCSPTQKAQIVRLLQQHTANRTCAIGDGGNDVSMIQAADCGIGIEGKEGKQASLAADFSVSQFRHIGRLLMVHGRNSYKRSAALGQFVMHRGMIISTMQAVFSSVFFFASVPLYQGFLMVGYATIYTMFPVFSLVLDQDVKPETALLYPELYKDLTKGRSLSFKTFLIWVLISIYQGGILMYGALVLFESEFVHVVAISFTALVLTELLMVALTVRTWHWLMVLAEFFSLGCYLASLAFLNEYFGIGRVSFGAFLDLSFITTWPFLWKVSAITLVSCLPLYIIKYLKRKFSPPSYSKLSS
					

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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	32	Very low	32.9	Very low	246 Å²	246	145.5 Å²	145.5	100%	1.212	81%	0.808	S	S	*	*				0	120.5	0	-84.6	-178.1	178.3	0	0	107.7
2	A	30.2	Very low	32.4	Very low	92 Å²	92	147.3 Å²	147.3	76%	0.76	80%	0.801	S	S	*	*			trans	28.6	116.3	155.8	0	0	0	0	0	120.4
3	D	32.6	Very low	31.9	Very low	154 Å²	154	144.5 Å²	144.5	82%	0.824	80%	0.799	S	S	*	*				29.4	130.2	120.1	-58.5	-27.4	0	0	0	119.1
4	S	30	Very low	31.4	Very low	119 Å²	119	141.4 Å²	141.4	83%	0.832	79%	0.793	S	S	*	*				167.3	131.7	99.7	48.3	0	0	0	0	113.7
5	I	36.2	Very low	31.1	Very low	148 Å²	148	145.9 Å²	145.9	76%	0.759	79%	0.792	S	S	*	*			trans	-70.7	152.4	163.3	-53.4	160.2	0	0	0	108.1
6	P	42.3	Very low	30.8	Very low	111 Å²	111	149.9 Å²	149.9	72%	0.721	79%	0.792	S	S	*	*				-144.3	133.5	96	18.9	5.3	0	0	0	114.3
7	L	30.4	Very low	30.5	Very low	146 Å²	146	149 Å²	149	76%	0.764	79%	0.794	S	S	*	*				69	109	98.9	-71.2	157.4	0	0	0	116.5
8	N	25.6	Very low	30.4	Very low	149 Å²	149	145.4 Å²	145.4	80%	0.797	79%	0.789	S	S	*	*			trans	13.9	157.5	132.1	-80.9	-21	0	0	0	119.4
9	P	48.1	Very low	30.1	Very low	109 Å²	109	146.6 Å²	146.6	71%	0.708	80%	0.795	S	S	*	*			cis	-152.6	163.5	29.3	25	3.6	0	0	0	119.1
10	V	28.2	Very low	29.9	Very low	120 Å²	120	150.4 Å²	150.4	73%	0.727	80%	0.799	S	S	*	*				73.9	126.6	127.6	176.1	0	0	0	0	123.4
11	R	26.6	Very low	29.6	Very low	207 Å²	207	149.1 Å²	149.1	78%	0.781	80%	0.801	S	S	*	*			trans	99.4	115.1	139	-95.4	166.2	-172.1	-175.5	3.2	122.8
12	K	26.7	Very low	29.3	Very low	166 Å²	166	142.6 Å²	142.6	72%	0.722	78%	0.78	S	S	*	*				80.2	116.5	121.5	-88	177.2	-177.1	-174.6	0	121.9
13	S	25.3	Very low	29.1	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	78%	0.781	S	S	*	*			trans	70.8	145.7	134.4	88	0	0	0	0	116.4
14	S	25.8	Very low	28.8	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	78%	0.784	S	S	*	*			cis	-169.7	152.5	26.7	67.4	0	0	0	0	110.8
15	R	25.9	Very low	28.6	Very low	208 Å²	208	148.4 Å²	148.4	79%	0.785	78%	0.784	S	S	*	*			trans	39.2	134.3	139.5	-83.6	-179.4	171.9	173.4	-1.3	123.8
16	R	26.5	Very low	28	Very low	210 Å²	210	145.2 Å²	145.2	79%	0.792	77%	0.774	S	S	*	*			trans	74.1	137.9	142.7	-72	176.8	173.7	178.3	-3.9	114.7
17	T	25.5	Very low	27.2	Very low	135 Å²	135	150.4 Å²	150.4	83%	0.828	78%	0.779	S	S	*	*			cis	-165.3	157.9	42.5	-22.8	0	0	0	0	110.1
18	A	28.6	Very low	26.9	Very low	84 Å²	84	152.4 Å²	152.4	69%	0.694	78%	0.782	S	S	*	*			trans	-71.4	156.7	175.4	0	0	0	0	0	113
19	N	24.7	Very low	26.8	Very low	169 Å²	169	150 Å²	150	90%	0.904	78%	0.777	S	S	*	*			trans	-153.3	141.1	140.7	-99.1	-18.6	0	0	0	112.4
20	Y	26.8	Very low	25.8	Very low	222 Å²	222	151.1 Å²	151.1	87%	0.871	78%	0.777	S	S	*	*			trans	-65.4	150.4	177.5	-97.9	-108	0	0	0	113
21	S	24.8	Very low	25.8	Very low	123 Å²	123	152.8 Å²	152.8	86%	0.86	78%	0.776	S	S	*	*			trans	-151.3	136.6	137.4	62.2	0	0	0	0	111.2
22	S	25.1	Very low	25.7	Very low	109 Å²	109	149.6 Å²	149.6	76%	0.762	78%	0.775	S	S	*	*			trans	-99	-177.3	-175.3	59.4	0	0	0	0	112.1
23	A	25.3	Very low	25.7	Very low	94 Å²	94	150 Å²	150	78%	0.777	78%	0.779	S	S	*	*			trans	87.4	110.3	173.2	0	0	0	0	0	113.9
24	R	25.8	Very low	26.2	Very low	237 Å²	237	149.1 Å²	149.1	89%	0.894	77%	0.771	S	S	*	*			cis	77.6	133.1	34.2	-135.9	-168.9	-151.7	-172.3	5.9	114.5
25	L	25.8	Very low	26.2	Very low	157 Å²	157	149 Å²	149	82%	0.822	77%	0.77	S	S	*	*			trans	93.9	140.7	170.7	-69.9	127.6	0	0	0	115.7
26	S	24	Very low	26.2	Very low	80 Å²	80	146.3 Å²	146.3	56%	0.559	77%	0.771	S	S	*	*			cis	170.7	149.3	-13.9	52.6	0	0	0	0	109.3
27	R	25.5	Very low	26.3	Very low	220 Å²	220	143.4 Å²	143.4	83%	0.83	77%	0.771	S	S	*	*			trans	68.5	145.6	155.4	-62.3	169.8	-174.3	178.1	0.8	116.5
28	F	25.2	Very low	26.5	Very low	188 Å²	188	143.8 Å²	143.8	83%	0.825	77%	0.768	S	S	*	*			cis	-154.7	177.9	41.9	-118.6	-87.1	0	0	0	112.3
29	S	22.4	Very low	26.4	Very low	98 Å²	98	149 Å²	149	69%	0.685	78%	0.778	S	S	*	*			trans	-114.4	174.8	-164.5	-176	0	0	0	0	113.5
30	L	28.2	Very low	26.6	Very low	134 Å²	134	149.8 Å²	149.8	70%	0.702	78%	0.778	S	S	*	*			trans	99.3	139.7	162.7	-56.8	158.7	0	0	0	114.8
31	E	26.3	Very low	26.8	Very low	154 Å²	154	144.7 Å²	144.7	72%	0.72	77%	0.772	S	S	*	*			cis	-167.9	152.4	5.7	-118.2	163.7	-179.3	0	0	109.4
32	D	26	Very low	26.9	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	77%	0.772	S	S	*	*			trans	52.5	115	149.8	-60.1	-15.6	0	0	0	126.7
33	E	25.5	Very low	27	Very low	174 Å²	174	150.3 Å²	150.3	81%	0.813	78%	0.779	S	S	*	*			trans	33.6	162.3	134.3	-65.1	-71.6	142.7	0	0	123.6
34	P	36.1	Very low	27.1	Very low	93 Å²	93	152.5 Å²	152.5	60%	0.604	78%	0.775	S	S	*	*			cis	-133.7	168.8	-23.4	35.7	-16.9	0	0	0	115.5
35	S	26.7	Very low	27.1	Very low	99 Å²	99	146.9 Å²	146.9	69%	0.692	77%	0.772	S	S	*	*			trans	47.7	116.2	150	63.2	0	0	0	0	123
36	N	24.8	Very low	27.2	Very low	151 Å²	151	147.4 Å²	147.4	81%	0.807	77%	0.771	S	S	*	*			trans	-179.3	110.4	131.3	-88.1	-26.1	0	0	0	107.5
37	L	29.6	Very low	27.4	Very low	149 Å²	149	152.6 Å²	152.6	78%	0.78	79%	0.786	S	S	*	*				55	122	100	-85	166.9	0	0	0	115.3
38	D	28.4	Very low	27.5	Very low	143 Å²	143	145.6 Å²	145.6	77%	0.765	78%	0.783	S	S	*	*			trans	63.6	101.1	159.2	-60.2	-23.5	0	0	0	119.3
39	E	27.9	Very low	27.6	Very low	195 Å²	195	146.4 Å²	146.4	91%	0.911	79%	0.786	S	S	*	*				171.8	114.2	118.5	-95	179.2	170.7	0	0	108.9
40	M	28.8	Very low	27.9	Very low	184 Å²	184	150.9 Å²	150.9	91%	0.906	80%	0.796	S	S	*	*			trans	-122.4	131.7	164.2	-122.5	-176.6	63.9	0	0	108.3
41	P	30.2	Very low	28	Very low	115 Å²	115	151.9 Å²	151.9	75%	0.747	80%	0.802	S	S	*	*			trans	-80.2	135.4	-156.1	30.2	-33.5	0	0	0	112.8	M43	P41-M43 PolarHBondContact O-N 2.99Å
42	L	27	Very low	28	Very low	162 Å²	162	151.9 Å²	151.9	85%	0.848	81%	0.807	S	S	*	*			trans	-55.5	120.7	158.6	-86	147.8	0	0	0	110.1
43	M	27.8	Very low	28.3	Very low	188 Å²	188	154.5 Å²	154.5	93%	0.926	82%	0.815	S	S	*	*			trans	-121.4	91.3	157.4	-85.6	-93.4	-163.4	0	0	107.2	P41	P41-M43 PolarHBondContact O-N 2.99Å
44	M	26.7	Very low	28.4	Very low	140 Å²	140	150.4 Å²	150.4	69%	0.69	81%	0.806	S	S	*	*			trans	-82.9	132.7	157.2	-80.1	-88.4	-73.3	0	0	107.7	E46	M44-E46 HydrophobicContact CE-CG 4.1Å
45	S	26.3	Very low	28	Very low	119 Å²	119	153.3 Å²	153.3	83%	0.832	82%	0.816	S	S	*	*			trans	-141.3	108.1	146.8	61.1	0	0	0	0	107.6
46	E	28.3	Very low	28	Very low	169 Å²	169	159.3 Å²	159.3	79%	0.79	83%	0.825	S	S	*	*			trans	-64.7	125.7	162.6	-67.3	174.9	142.1	0	0	108.5	M44	M44-E46 HydrophobicContact CE-CG 4.1Å
47	E	26.9	Very low	28.3	Very low	189 Å²	189	161 Å²	161	88%	0.883	83%	0.828	S	S	*	*			trans	-155.2	121.5	149	-110.9	173.1	-156.6	0	0	107.7
48	G	28.9	Very low	28.5	Very low	73 Å²	73	160.4 Å²	160.4	75%	0.753	83%	0.831	S	S	*	*			trans	-67.5	152.1	-170.1	0	0	0	0	0	113.5
49	F	26.8	Very low	28.4	Very low	204 Å²	204	161.2 Å²	161.2	90%	0.895	83%	0.834	S	S	*	*			trans	-135.7	123.5	163.9	-99	-88.3	0	0	0	109.7
50	E	28.9	Very low	28.5	Very low	193 Å²	193	157.6 Å²	157.6	90%	0.902	83%	0.827	S	S	*	*			trans	-61.4	150.7	176.6	-70.3	173.7	138.6	0	0	111.9	D52	E50-D52 PolarHBondContact O-N 3.34Å
51	N	30.8	Very low	28.5	Very low	155 Å²	155	160.5 Å²	160.5	83%	0.829	83%	0.828	S	S	*	*			trans	-60.5	124.1	173.8	-77.1	-32.8	0	0	0	111.4
52	D	25	Very low	28.4	Very low	153 Å²	153	159.5 Å²	159.5	82%	0.818	83%	0.829	S	S	*	*			trans	-133.8	101.2	148.6	-95.7	-31.4	0	0	0	108.9	E50 S54	E50-D52 PolarHBondContact O-N 3.34Å; D52-S54 VanDerWaalsContact C-N 3.34Å; D52-S54 PolarHBondContact O-N 3.47Å
53	E	32	Very low	28.4	Very low	196 Å²	196	163.9 Å²	163.9	92%	0.916	84%	0.835	S	S	*	*			trans	-79	80.6	166.1	-80.2	-162.1	140.7	0	0	109.5
54	S	28.1	Very low	28.5	Very low	89 Å²	89	165.3 Å²	165.3	62%	0.622	83%	0.83	S	S	*	*			trans	-170	146.8	153.8	41.4	0	0	0	0	108.5	D52	D52-S54 VanDerWaalsContact C-N 3.34Å; D52-S54 PolarHBondContact O-N 3.47Å
55	D	27.1	Very low	28.6	Very low	153 Å²	153	161.7 Å²	161.7	82%	0.818	83%	0.828	S	S	*	*			trans	80.2	52.5	178.3	-59.6	-12.3	0	0	0	119
56	Y	27.5	Very low	29	Very low	226 Å²	226	165.7 Å²	165.7	89%	0.886	83%	0.834	S	S	*	*			trans	-122.7	28.7	157.9	-90.5	-79.5	0	0	0	115
57	Q	30.5	Very low	29.4	Very low	185 Å²	185	164.1 Å²	164.1	86%	0.864	82%	0.821	S	S	*	*	S	Bend	trans	-109.3	83.9	159.1	-73.2	-172.3	3.7	0	0	109.5
58	T	34.8	Very low	29.9	Very low	137 Å²	137	166.6 Å²	166.6	84%	0.84	82%	0.822	S	S	*	*			trans	162.5	83.2	145.3	38.4	0	0	0	0	110.7
59	L	25.8	Very low	30.4	Very low	161 Å²	161	170.8 Å²	170.8	84%	0.843	83%	0.826	S	S	*	*			trans	-135.8	137.6	151.9	-78.9	177.8	0	0	0	111.6
60	P	30.5	Very low	31.3	Very low	118 Å²	118	163.1 Å²	163.1	77%	0.766	80%	0.804	S	S	*	*			trans	-76.4	136.7	-172.2	30.8	-32.9	0	0	0	111.1	A62	P60-A62 PolarHBondContact O-N 3.01Å
61	R	28.7	Very low	31.9	Very low	246 Å²	246	160.8 Å²	160.8	93%	0.928	80%	0.797	S	S	*	*			trans	-45.2	128.2	172.2	-73.6	175.4	168.9	159.7	-4	112.1
62	A	27.8	Very low	32.4	Very low	93 Å²	93	155.3 Å²	155.3	77%	0.769	78%	0.777	S	S	*	*			trans	11	112.8	156.8	0	0	0	0	0	117.4	P60 R64	P60-A62 PolarHBondContact O-N 3.01Å; A62-R64 PolarHBondContact O-N 3.4Å
63	R	28	Very low	33.8	Very low	255 Å²	255	151.6 Å²	151.6	96%	0.962	75%	0.752	S	S	*	*			trans	-53.7	106.2	161	-80.3	177.9	175.5	169.9	-0.1	110.1
64	R	29.4	Very low	34.6	Very low	218 Å²	218	147 Å²	147	82%	0.823	73%	0.729	S	S	*	*			trans	-67.6	128.6	154.8	-92.8	179.9	178.1	172.5	-0.5	108.4	A62	A62-R64 PolarHBondContact O-N 3.4Å
65	G	29	Very low	35.4	Very low	63 Å²	63	147.5 Å²	147.5	65%	0.649	72%	0.724	S	S	*	*			trans	-53.6	154.4	-175.7	0	0	0	0	0	115.1	R67	G65-R67 PolarHBondContact O-N 3.17Å; G65-R67 VanDerWaalsContact O-N 3.12Å
66	Q	33.2	Very low	36.2	Very low	204 Å²	204	147.6 Å²	147.6	95%	0.953	72%	0.724	S	S	*	*			trans	-39.9	112.5	172	-83.2	163	-61.7	0	0	111.9	R68	Q66-R68 PolarHBondContact O-N 3.47Å
67	R	37.6	Very low	37	Very low	136 Å²	136	138.1 Å²	138.1	51%	0.513	69%	0.694	S	S	.	*			trans	-81.4	115.5	171.3	-76.3	178.5	170.4	177.5	-2.8	109.2	G65 L69 W73	G65-R67 PolarHBondContact O-N 3.17Å; G65-R67 VanDerWaalsContact O-N 3.12Å; R67-L69 PolarHBondContact O-N 2.95Å; R67-W73 VanDerWaalsContact CZ-NE1 3.33Å
68	R	37.2	Very low	37.8	Very low	241 Å²	241	129.3 Å²	129.3	91%	0.909	65%	0.654	S	S	*	*			trans	-61.7	113.6	158.5	-77	-178.8	174.7	-178.6	-1.6	107.8	Q66 G70	Q66-R68 PolarHBondContact O-N 3.47Å; R68-G70 PolarHBondContact O-N 3.19Å
69	L	39.3	Very low	38.7	Very low	161 Å²	161	128.2 Å²	128.2	84%	0.843	63%	0.634	S	S	*	*			trans	-64.4	116.7	170.8	-81.5	116.2	0	0	0	109	R67	R67-L69 PolarHBondContact O-N 2.95Å
70	G	45.8	Very low	39.8	Very low	42 Å²	42	125.2 Å²	125.2	43%	0.433	62%	0.616	S	S	.	*			trans	-155.3	163.4	175.7	0	0	0	0	0	111.3	R68 G72 W73	R68-G70 PolarHBondContact O-N 3.19Å; G70-G72 PolarHBondContact O-N 3.34Å; G70-G72 VanDerWaalsContact O-N 3.12Å; G70-W73 WeakPolarHBondContact O-CB 3.38Å; G70-W73 PolarHBondContact O-N 3.33Å
71	L	41.9	Very low	40.7	Very low	145 Å²	145	122.7 Å²	122.7	76%	0.759	60%	0.598	S	S	*	*	H	α-helix	trans	-53.9	-32.4	-177.5	-151.5	81.1	0	0	0	113.1	W73 F74 L75	L71-W73 PolarHBondContact O-N 2.78Å; L71-F74 PolarHBondContact O-N 3.03Å; L71-L75 PolarHBondContact O-N 3.21Å
72	G	42.2	Very low	41.6	Very low	39 Å²	39	115.3 Å²	115.3	40%	0.402	58%	0.577	S	S	.	*	H	α-helix	trans	-63.6	-36.7	175.1	0	0	0	0	0	113.7	G70 F74 L75 L76	G70-G72 PolarHBondContact O-N 3.34Å; G70-G72 VanDerWaalsContact O-N 3.12Å; G72-F74 VanDerWaalsContact C-N 3.32Å; G72-F74 PolarHBondContact O-N 3.24Å; G72-L75 PolarHBondContact O-N 3.34Å; G72-L76 VanDerWaalsContact O-CB 3.31Å; G72-L76 WeakPolarHBondContact O-CB 3.44Å; G72-L76 VanDerWaalsContact O-CD1 3.27Å; G72-L76 WeakPolarHBondContact O-CD1 2.98Å; G72-L76 PolarHBondContact O-N 3.25Å
73	W	54.3	Low	42.7	Very low	76 Å²	76	113 Å²	113	29%	0.288	55%	0.554	S	S	.	*	H	α-helix	trans	-66.1	-36.4	177	180	73.3	0	0	0	111.8	R67 G70 L71 G78 V81	R67-W73 VanDerWaalsContact CZ-NE1 3.33Å; G70-W73 WeakPolarHBondContact O-CB 3.38Å; G70-W73 PolarHBondContact O-N 3.33Å; L71-W73 PolarHBondContact O-N 2.78Å; W73-G78 VanDerWaalsContact O-CA 3.31Å; W73-G78 WeakPolarHBondContact O-CA 3.4Å; W73-G78 PolarHBondContact O-N 3.06Å; W73-V81 HydrophobicContact CZ2-CB 4.41Å; W73-V81 HydrophobicContact CZ2-CG2 4.49Å
74	F	47.7	Very low	43.8	Very low	100 Å²	100	103 Å²	103	44%	0.439	52%	0.521	S	S	.	.	I	π-helix	trans	-67.7	-43.4	177.9	-156.1	-97.8	0	0	0	111.9	L71 G72 W79 L82	L71-F74 PolarHBondContact O-N 3.03Å; G72-F74 VanDerWaalsContact C-N 3.32Å; G72-F74 PolarHBondContact O-N 3.24Å; F74-W79 AromaticContact CE1-CE3 3.97Å; F74-W79 HydrophobicContact CE1-CE3 3.97Å; F74-W79 HydrophobicContact CE1-CZ3 4.46Å; F74-W79 AromaticContact CE2-CE3 3.83Å; F74-W79 HydrophobicContact CE2-CE3 3.83Å; F74-W79 HydrophobicContact CE2-CZ3 4.31Å; F74-W79 HydrophobicContact CZ-CD2 4.42Å; F74-W79 AromaticContact CZ-CE3 3.29Å; F74-W79 HydrophobicContact CZ-CE3 3.29Å; F74-W79 AromaticContact CZ-CZ3 3.62Å; F74-W79 HydrophobicContact CZ-CZ3 3.62Å; F74-L82 HydrophobicContact CE2-CD1 3.99Å
75	L	46.2	Very low	44.6	Very low	99 Å²	99	96.2 Å²	96.2	52%	0.518	51%	0.508	S	S	.	.	I	π-helix	trans	-72.6	-29.4	179	-70.2	166.9	0	0	0	113.8	L71 G72	L71-L75 PolarHBondContact O-N 3.21Å; G72-L75 PolarHBondContact O-N 3.34Å
76	L	42.6	Very low	45.5	Very low	155 Å²	155	97.6 Å²	97.6	81%	0.812	51%	0.506	S	S	*	.	I	π-helix	trans	-94.1	11.8	-177.3	-83.2	129	0	0	0	115.1	G72	G72-L76 VanDerWaalsContact O-CB 3.31Å; G72-L76 WeakPolarHBondContact O-CB 3.44Å; G72-L76 VanDerWaalsContact O-CD1 3.27Å; G72-L76 WeakPolarHBondContact O-CD1 2.98Å; G72-L76 PolarHBondContact O-N 3.25Å
77	G	45.2	Very low	46.4	Very low	26 Å²	26	90.4 Å²	90.4	27%	0.268	48%	0.478	S	S	.	.	I	π-helix	trans	123.7	5.7	172	0	0	0	0	0	116.2	W79 E80	G77-W79 PolarHBondContact O-N 3.34Å; G77-E80 PolarHBondContact O-N 3.03Å
78	G	47.3	Very low	46.8	Very low	1 Å²	1	87.9 Å²	87.9	1%	0.01	48%	0.475	C	S	.	.	I	π-helix	trans	-62.3	-24.9	172.9	0	0	0	0	0	113.8	W73 V81 L82	W73-G78 VanDerWaalsContact O-CA 3.31Å; W73-G78 WeakPolarHBondContact O-CA 3.4Å; W73-G78 PolarHBondContact O-N 3.06Å; G78-V81 WeakPolarHBondContact O-CB 3.4Å; G78-V81 PolarHBondContact O-N 2.69Å; G78-L82 PolarHBondContact O-N 3.46Å
79	W	53.7	Low	47.1	Very low	113 Å²	113	80.1 Å²	80.1	43%	0.428	46%	0.456	S	S	.	.	H	α-helix	trans	-66	-36	174.7	-176.7	-98.8	0	0	0	113.4	F74 G77 V81 L82 C83 L147	F74-W79 AromaticContact CE1-CE3 3.97Å; F74-W79 HydrophobicContact CE1-CE3 3.97Å; F74-W79 HydrophobicContact CE1-CZ3 4.46Å; F74-W79 AromaticContact CE2-CE3 3.83Å; F74-W79 HydrophobicContact CE2-CE3 3.83Å; F74-W79 HydrophobicContact CE2-CZ3 4.31Å; F74-W79 HydrophobicContact CZ-CD2 4.42Å; F74-W79 AromaticContact CZ-CE3 3.29Å; F74-W79 HydrophobicContact CZ-CE3 3.29Å; F74-W79 AromaticContact CZ-CZ3 3.62Å; F74-W79 HydrophobicContact CZ-CZ3 3.62Å; G77-W79 PolarHBondContact O-N 3.34Å; W79-V81 PolarHBondContact O-N 3.18Å; W79-L82 PolarHBondContact O-N 3.38Å; W79-L82 VanDerWaalsContact O-N 3.14Å; W79-C83 PolarHBondContact NE1-SG 3.43Å; W79-C83 VanDerWaalsContact NE1-SG 3.45Å; W79-C83 PolarHBondContact O-N 3.03Å; W79-C83 VanDerWaalsContact O-N 3.09Å; W79-L147 HydrophobicContact CZ2-CD2 4.44Å
80	E	48.6	Very low	47.5	Very low	99 Å²	99	78.3 Å²	78.3	46%	0.463	45%	0.447	S	S	.	.	H	α-helix	trans	-59.6	-39.1	175.7	-71.3	-174.1	172.8	0	0	110.3	G77 L82 T84	G77-E80 PolarHBondContact O-N 3.03Å; E80-L82 PolarHBondContact O-N 2.92Å; E80-T84 VanDerWaalsContact O-CB 3.28Å; E80-T84 WeakPolarHBondContact O-CB 3.29Å; E80-T84 WeakPolarHBondContact O-CG2 3.42Å; E80-T84 PolarHBondContact O-N 3.16Å; E80-T84 PolarHBondContact O-OG1 3.15Å
81	V	49.6	Very low	47.6	Very low	65 Å²	65	78.7 Å²	78.7	39%	0.394	45%	0.446	S	S	.	.	H	α-helix	trans	-66.4	-35.4	178.3	-176.6	0	0	0	0	112.2	W73 G78 W79 T84 S85	W73-V81 HydrophobicContact CZ2-CB 4.41Å; W73-V81 HydrophobicContact CZ2-CG2 4.49Å; G78-V81 WeakPolarHBondContact O-CB 3.4Å; G78-V81 PolarHBondContact O-N 2.69Å; W79-V81 PolarHBondContact O-N 3.18Å; V81-T84 WeakPolarHBondContact CA-OG1 3.42Å; V81-T84 PolarHBondContact O-OG1 3.01Å; V81-S85 WeakPolarHBondContact O-CB 3.45Å; V81-S85 PolarHBondContact O-N 3.32Å
82	L	47.8	Very low	47.9	Very low	90 Å²	90	78.7 Å²	78.7	47%	0.471	44%	0.442	S	S	.	.	H	α-helix	trans	-70.3	-45.9	178.2	-98.1	150.7	0	0	0	112	F74 G78 W79 E80 C86	F74-L82 HydrophobicContact CE2-CD1 3.99Å; G78-L82 PolarHBondContact O-N 3.46Å; W79-L82 PolarHBondContact O-N 3.38Å; W79-L82 VanDerWaalsContact O-N 3.14Å; E80-L82 PolarHBondContact O-N 2.92Å; L82-C86 PolarHBondContact O-N 3.35Å
83	C	49.9	Very low	48	Very low	45 Å²	45	82.4 Å²	82.4	30%	0.304	46%	0.456	S	S	.	.	H	α-helix	trans	-70.7	-40.3	176.3	-72.7	0	0	0	0	112.4	W79 C87	W79-C83 PolarHBondContact NE1-SG 3.43Å; W79-C83 VanDerWaalsContact NE1-SG 3.45Å; W79-C83 PolarHBondContact O-N 3.03Å; W79-C83 VanDerWaalsContact O-N 3.09Å; C83-C87 PolarHBondContact O-N 3.37Å
84	T	50.6	Low	47.6	Very low	44 Å²	44	83.8 Å²	83.8	27%	0.27	48%	0.476	S	S	.	.	H	α-helix	trans	-70	-37.1	177	61.4	0	0	0	0	111.3	E80 V81 C86 C87 D88	E80-T84 VanDerWaalsContact O-CB 3.28Å; E80-T84 WeakPolarHBondContact O-CB 3.29Å; E80-T84 WeakPolarHBondContact O-CG2 3.42Å; E80-T84 PolarHBondContact O-N 3.16Å; E80-T84 PolarHBondContact O-OG1 3.15Å; V81-T84 WeakPolarHBondContact CA-OG1 3.42Å; V81-T84 PolarHBondContact O-OG1 3.01Å; T84-C86 PolarHBondContact O-N 3.17Å; T84-C87 PolarHBondContact O-N 3.14Å; T84-D88 WeakPolarHBondContact O-CA 2.91Å; T84-D88 WeakPolarHBondContact O-CB 3.33Å; T84-D88 PolarHBondContact O-N 3.02Å
85	S	47.3	Very low	47.6	Very low	77 Å²	77	89.1 Å²	89.1	54%	0.538	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-34.1	-179	-170.5	0	0	0	0	113.4	V81 C89	V81-S85 WeakPolarHBondContact O-CB 3.45Å; V81-S85 PolarHBondContact O-N 3.32Å; S85-C89 WeakPolarHBondContact O-CB 3.46Å; S85-C89 PolarHBondContact O-N 3.33Å
86	C	47.4	Very low	47.7	Very low	91 Å²	91	95.9 Å²	95.9	62%	0.615	51%	0.512	S	S	*	.	H	α-helix	trans	-73.3	-42.4	174.6	-94.8	0	0	0	0	112.2	L82 T84 L90	L82-C86 PolarHBondContact O-N 3.35Å; T84-C86 PolarHBondContact O-N 3.17Å; C86-L90 PolarHBondContact O-N 3.4Å
87	C	51.5	Low	48.4	Very low	53 Å²	53	98.2 Å²	98.2	36%	0.358	52%	0.516	S	S	.	.	H	α-helix	trans	-76.1	-36.7	-179.4	-70.1	0	0	0	0	113.2	C83 T84 L90 A91	C83-C87 PolarHBondContact O-N 3.37Å; T84-C87 PolarHBondContact O-N 3.14Å; C87-L90 PolarHBondContact O-N 3.13Å; C87-A91 WeakPolarHBondContact O-CB 3.42Å; C87-A91 PolarHBondContact O-N 3.42Å
88	D	45.7	Very low	49.4	Very low	83 Å²	83	104.1 Å²	104.1	44%	0.444	53%	0.534	S	S	.	.	H	α-helix	trans	-70.5	-34	176.5	-70.1	-23.7	0	0	0	110.8	T84 A91 H92	T84-D88 WeakPolarHBondContact O-CA 2.91Å; T84-D88 WeakPolarHBondContact O-CB 3.33Å; T84-D88 PolarHBondContact O-N 3.02Å; D88-A91 PolarHBondContact O-N 3.1Å; D88-H92 WeakPolarHBondContact O-CB 3.46Å; D88-H92 PolarHBondContact O-CD2 3Å; D88-H92 VanDerWaalsContact O-CD2 3.29Å; D88-H92 PolarHBondContact O-N 2.73Å
89	C	44.5	Very low	50.8	Low	78 Å²	78	112 Å²	112	53%	0.527	57%	0.571	S	S	.	*	H	α-helix	trans	-62.6	-46.9	171.3	-173.3	0	0	0	0	111.1	S85 A91 H92 V93	S85-C89 WeakPolarHBondContact O-CB 3.46Å; S85-C89 PolarHBondContact O-N 3.33Å; C89-A91 PolarHBondContact O-N 3.08Å; C89-H92 PolarHBondContact O-N 3.15Å; C89-V93 WeakPolarHBondContact O-CB 3.3Å; C89-V93 VanDerWaalsContact O-CG2 3.22Å; C89-V93 WeakPolarHBondContact O-CG2 3.21Å; C89-V93 PolarHBondContact O-N 2.76Å
90	L	47	Very low	52.2	Low	123 Å²	123	109.9 Å²	109.9	64%	0.644	57%	0.567	S	S	*	*	H	α-helix	trans	-62	-39.7	173.8	-87.9	157.1	0	0	0	112.6	C86 C87 C94	C86-L90 PolarHBondContact O-N 3.4Å; C87-L90 PolarHBondContact O-N 3.13Å; L90-C94 PolarHBondContact O-N 2.92Å; L90-C94 PolarHBondContact O-SG 2.93Å
91	A	48	Very low	54	Low	50 Å²	50	111.2 Å²	111.2	41%	0.413	57%	0.571	S	S	.	*	H	α-helix	trans	-71.5	-38	178.4	0	0	0	0	0	112.9	C87 D88 C89 C94 R95	C87-A91 WeakPolarHBondContact O-CB 3.42Å; C87-A91 PolarHBondContact O-N 3.42Å; D88-A91 PolarHBondContact O-N 3.1Å; C89-A91 PolarHBondContact O-N 3.08Å; A91-C94 PolarHBondContact O-N 3.49Å; A91-R95 PolarHBondContact O-N 2.94Å; A91-R95 VanDerWaalsContact O-N 3.11Å
92	H	47.9	Very low	55.8	Low	146 Å²	146	110.1 Å²	110.1	68%	0.676	57%	0.568	S	S	*	*	H	α-helix	trans	-72.3	-34.4	178.5	-92.4	-74.1	0	0	0	112.7	D88 C89 C94	D88-H92 WeakPolarHBondContact O-CB 3.46Å; D88-H92 PolarHBondContact O-CD2 3Å; D88-H92 VanDerWaalsContact O-CD2 3.29Å; D88-H92 PolarHBondContact O-N 2.73Å; C89-H92 PolarHBondContact O-N 3.15Å; H92-C94 VanDerWaalsContact C-N 3.29Å; H92-C94 PolarHBondContact O-N 3.17Å
93	V	44.3	Very low	57.7	Low	116 Å²	116	106.5 Å²	106.5	70%	0.703	55%	0.548	S	S	*	.	H	α-helix	trans	-67.5	-32	174.3	172.5	0	0	0	0	111.1	C89	C89-V93 WeakPolarHBondContact O-CB 3.3Å; C89-V93 VanDerWaalsContact O-CG2 3.22Å; C89-V93 WeakPolarHBondContact O-CG2 3.21Å; C89-V93 PolarHBondContact O-N 2.76Å
94	C	47.1	Very low	59.5	Low	105 Å²	105	107 Å²	107	71%	0.709	55%	0.55	S	S	*	*	H	α-helix	trans	-91.6	-10.9	-179.2	-68.1	0	0	0	0	115.7	L90 A91 H92	L90-C94 PolarHBondContact O-N 2.92Å; L90-C94 PolarHBondContact O-SG 2.93Å; A91-C94 PolarHBondContact O-N 3.49Å; H92-C94 VanDerWaalsContact C-N 3.29Å; H92-C94 PolarHBondContact O-N 3.17Å
95	R	46.9	Very low	61.3	Low	212 Å²	212	105 Å²	105	80%	0.8	54%	0.538	S	S	*	.			trans	-129.3	79.7	-179.5	-76.7	-177.4	171.6	-179.6	-1.2	112.1	A91	A91-R95 PolarHBondContact O-N 2.94Å; A91-R95 VanDerWaalsContact O-N 3.11Å
96	R	49	Very low	63.2	Low	242 Å²	242	103.6 Å²	103.6	91%	0.913	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-69.7	126.5	157.2	-77.2	-175.9	176.5	178.3	-1.3	108.6	K98	R96-K98 PolarHBondContact O-N 2.91Å
97	K	56.6	Low	65	Low	204 Å²	204	99.5 Å²	99.5	89%	0.887	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-63.7	124.7	170	-75.8	-176.1	176.3	-177.2	0	107.8
98	K	67.4	Low	65.7	Low	150 Å²	150	98.2 Å²	98.2	65%	0.652	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-70.5	128.2	175.6	-170.4	-176.9	178.7	-167.2	0	108.3	R96 K116	R96-K98 PolarHBondContact O-N 2.91Å; K98-K116 PolarHBondContact NZ-O 3.46Å
99	E	75.9	Confident	66.9	Low	165 Å²	165	99.4 Å²	99.4	77%	0.771	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-71.6	138	172.7	-74.4	178.6	172.7	0	0	110.5
100	M	84.1	Confident	67.6	Low	70 Å²	70	98.7 Å²	98.7	35%	0.345	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-88	129	-177.4	-61.1	-103.4	-111.9	0	0	109.3	P292 E343 L348	M100-P292 HydrophobicContact CE-CB 3.72Å; M100-P292 HydrophobicContact CE-CG 4.3Å; M100-P292 HydrophobicContact SD-CB 4.01Å; M100-P292 HydrophobicContact SD-CG 3.9Å; M100-E343 HydrophobicContact SD-CG 4.05Å; M100-L348 HydrophobicContact CE-CD1 3.84Å; M100-L348 HydrophobicContact CE-CD2 3.54Å; M100-L348 HydrophobicContact CE-CG 4.34Å
101	K	85.2	Confident	68.2	Low	127 Å²	127	102.2 Å²	102.2	55%	0.552	49%	0.494	S	S	*	.			trans	-118.7	153.7	-178.4	-62.6	-175.5	-179.9	-176.4	0	111.5
102	A	87.4	Confident	68.9	Low	41 Å²	41	104.4 Å²	104.4	34%	0.339	49%	0.494	S	S	.	.			trans	-66.5	154.6	166.6	0	0	0	0	0	109.9	Y288	A102-Y288 HydrophobicContact CB-CE2 4.49Å
103	R	87.8	Confident	69.6	Low	14 Å²	14	99 Å²	99	5%	0.053	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.6	-172.7	69	-169.9	69.1	-179	-0.5	112.6	V105 F117 A289 I338 E343	R103-V105 HydrophobicContact CG-CG2 4.14Å; R103-F117 HydrophobicContact CB-CE1 4.39Å; R103-F117 HydrophobicContact CB-CZ 4.35Å; R103-A289 PolarHBondContact N-O 3.3Å; R103-A289 PolarHBondContact O-N 3.4Å; R103-I338 PolarHBondContact NH1-O 3.46Å; R103-E343 IonicContact CZ-OE2 3.07Å; R103-E343 IonicContact NH1-OE2 3.34Å; R103-E343 PolarHBondContact NH1-OE2 2.88Å; R103-E343 IonicContact NH2-OE1 3.52Å; R103-E343 IonicContact NH2-OE2 3.61Å; R103-E343 PolarHBondContact NH2-OE2 3.41Å
104	T	88.9	Confident	70.3	Confident	57 Å²	57	102.9 Å²	102.9	35%	0.35	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.9	171.6	-54.9	0	0	0	0	109.2	F286 V287	T104-F286 HydrophobicContact CG2-CB 3.89Å; T104-F286 HydrophobicContact CG2-CD2 3.42Å; T104-F286 VanDerWaalsContact CG2-CD2 3.42Å; T104-F286 HydrophobicContact CG2-CE2 4.18Å; T104-F286 HydrophobicContact CG2-CG 3.87Å; T104-V287 CarbonylContact C-O 3.54Å; T104-V287 WeakPolarHBondContact CA-O 3.32Å
105	V	88.5	Confident	71.4	Confident	0 Å²	0	102.3 Å²	102.3	0%	0	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.2	-178.2	-176.3	0	0	0	0	109.2	R103 V221 G222 F286 V287 V336 I338	R103-V105 HydrophobicContact CG-CG2 4.14Å; V105-V221 HydrophobicContact CG1-CG1 4.07Å; V105-V221 HydrophobicContact CG2-CG1 3.67Å; V105-G222 VanDerWaalsContact CG1-CA 3.5Å; V105-F286 CarbonylContact O-C 3.38Å; V105-F286 WeakPolarHBondContact O-CA 3.34Å; V105-V287 PolarHBondContact N-O 3.36Å; V105-V287 PolarHBondContact O-N 3.09Å; V105-V336 HydrophobicContact CG1-CG2 4.06Å; V105-I338 HydrophobicContact CG2-CG2 4.33Å
106	W	86.6	Confident	73	Confident	49 Å²	49	101.5 Å²	101.5	19%	0.186	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.8	178.7	-68.5	86.7	0	0	0	111.1	R109 K112 F286	W106-R109 HydrophobicContact CB-CB 4.39Å; W106-K112 HydrophobicContact CD2-CD 4.04Å; W106-K112 HydrophobicContact CE3-CD 4.39Å; W106-K112 HydrophobicContact CG-CB 4.14Å; W106-K112 HydrophobicContact CG-CD 4.25Å; W106-F286 HydrophobicContact CD2-CB 3.88Å; W106-F286 HydrophobicContact CE3-CB 3.87Å; W106-F286 HydrophobicContact CE3-CD1 4.27Å; W106-F286 HydrophobicContact CG-CB 4.31Å; W106-F286 AromaticContact CH2-CD1 3.7Å; W106-F286 HydrophobicContact CH2-CD1 3.7Å; W106-F286 HydrophobicContact CH2-CE1 4.29Å; W106-F286 HydrophobicContact CH2-CG 4.41Å; W106-F286 HydrophobicContact CZ2-CD1 4.2Å; W106-F286 HydrophobicContact CZ3-CB 4.22Å; W106-F286 AromaticContact CZ3-CD1 3.74Å; W106-F286 HydrophobicContact CZ3-CD1 3.74Å; W106-F286 HydrophobicContact CZ3-CG 4.4Å
107	L	84.2	Confident	74.8	Confident	5 Å²	5	92.1 Å²	92.1	3%	0.026	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	130.8	175.7	-79.9	83.6	0	0	0	110.3	R109 L240 L280 I283 A285 V287 F303	L107-R109 PolarHBondContact O-N 3.07Å; L107-L240 HydrophobicContact CD2-CD1 3.64Å; L107-L240 HydrophobicContact CD2-CD2 4.21Å; L107-L240 HydrophobicContact CG-CD1 4.47Å; L107-L280 HydrophobicContact CD2-CD2 4.48Å; L107-I283 HydrophobicContact CD2-CD1 4.27Å; L107-A285 HydrophobicContact CD1-CB 4.02Å; L107-A285 WeakPolarHBondContact CD1-O 3.45Å; L107-A285 PolarHBondContact N-O 2.97Å; L107-V287 HydrophobicContact CD1-CG2 4Å; L107-F303 HydrophobicContact CD1-CE2 3.77Å; L107-F303 HydrophobicContact CD1-CZ 4.39Å; L107-F303 HydrophobicContact CD2-CE2 4.06Å; L107-F303 HydrophobicContact CD2-CZ 4.35Å
108	G	67.6	Low	76.3	Confident	25 Å²	25	84.1 Å²	84.1	26%	0.258	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	0.4	172	0	0	0	0	0	116.2
109	R	69.9	Low	77.4	Confident	109 Å²	109	85.7 Å²	85.7	41%	0.411	41%	0.414	S	S	.	.			trans	-128.9	68.9	-178.5	-59.4	-172.2	-166.7	-173.8	10.8	111.9	W106 L107 E111 K112	W106-R109 HydrophobicContact CB-CB 4.39Å; L107-R109 PolarHBondContact O-N 3.07Å; R109-E111 PolarHBondContact O-N 3.38Å; R109-E111 VanDerWaalsContact O-N 3.12Å; R109-K112 PolarHBondContact O-N 3.17Å
110	P	59.2	Low	78.1	Confident	63 Å²	63	78.3 Å²	78.3	41%	0.409	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-62.1	-21.2	-178.7	25.8	-34	0	0	0	113.3	K112 C113	P110-K112 VanDerWaalsContact C-N 3.26Å; P110-K112 PolarHBondContact O-N 2.85Å; P110-C113 WeakPolarHBondContact O-CB 3.49Å; P110-C113 PolarHBondContact O-N 3.1Å
111	E	60.6	Low	78.2	Confident	196 Å²	196	76.5 Å²	76.5	92%	0.916	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.3	178.7	-61.7	178.3	179.4	0	0	113.9	R109 C113	R109-E111 PolarHBondContact O-N 3.38Å; R109-E111 VanDerWaalsContact O-N 3.12Å; E111-C113 VanDerWaalsContact C-N 3.29Å
112	K	62.6	Low	78	Confident	96 Å²	96	73.7 Å²	73.7	42%	0.417	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-80.3	-6.4	175.3	-74.9	-170.7	172.4	-171.9	0	113.5	W106 R109 P110 E114	W106-K112 HydrophobicContact CD2-CD 4.04Å; W106-K112 HydrophobicContact CE3-CD 4.39Å; W106-K112 HydrophobicContact CG-CB 4.14Å; W106-K112 HydrophobicContact CG-CD 4.25Å; R109-K112 PolarHBondContact O-N 3.17Å; P110-K112 VanDerWaalsContact C-N 3.26Å; P110-K112 PolarHBondContact O-N 2.85Å; K112-E114 PolarHBondContact O-N 3Å
113	C	62.2	Low	77.6	Confident	32 Å²	32	77.7 Å²	77.7	22%	0.216	38%	0.379	C	S	.	.			trans	-79.4	98.5	175	-83.4	0	0	0	0	110.2	P110 E111 E115 F117	P110-C113 WeakPolarHBondContact O-CB 3.49Å; P110-C113 PolarHBondContact O-N 3.1Å; E111-C113 VanDerWaalsContact C-N 3.29Å; C113-E115 PolarHBondContact O-N 3.4Å; C113-F117 HydrophobicContact CB-CE2 4.26Å
114	E	59	Low	77	Confident	198 Å²	198	81.4 Å²	81.4	93%	0.925	40%	0.4	S	S	*	.			trans	-68.3	-22.2	176.7	-63.4	-173.4	166.8	0	0	113.1	K112	K112-E114 PolarHBondContact O-N 3Å
115	E	70.8	Confident	76.4	Confident	93 Å²	93	80.9 Å²	80.9	44%	0.435	39%	0.393	S	S	.	.	S	Bend	trans	-89.7	132.8	-177.7	-70.3	-162.2	153.9	0	0	113.7	C113 F117	C113-E115 PolarHBondContact O-N 3.4Å; E115-F117 HydrophobicContact CB-CE1 4.05Å; E115-F117 HydrophobicContact CB-CE2 4.39Å; E115-F117 HydrophobicContact CB-CZ 3.84Å; E115-F117 WeakPolarHBondContact O-CD2 3.43Å; E115-F117 WeakPolarHBondContact O-CE2 3.36Å; E115-F117 PolarHBondContact O-N 3.49Å
116	K	78.9	Confident	75.8	Confident	195 Å²	195	83.9 Å²	83.9	85%	0.848	41%	0.406	S	S	*	.			trans	-80.7	113.4	172.4	-70.9	-178	-179.4	175.7	0	111.4	K98	K98-K116 PolarHBondContact NZ-O 3.46Å
117	F	86.8	Confident	75.6	Confident	46 Å²	46	82.4 Å²	82.4	20%	0.202	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-90.3	156.4	176.2	-58.2	-62.9	0	0	0	112.7	R103 C113 E115 V221	R103-F117 HydrophobicContact CB-CE1 4.39Å; R103-F117 HydrophobicContact CB-CZ 4.35Å; C113-F117 HydrophobicContact CB-CE2 4.26Å; E115-F117 HydrophobicContact CB-CE1 4.05Å; E115-F117 HydrophobicContact CB-CE2 4.39Å; E115-F117 HydrophobicContact CB-CZ 3.84Å; E115-F117 WeakPolarHBondContact O-CD2 3.43Å; E115-F117 WeakPolarHBondContact O-CE2 3.36Å; E115-F117 PolarHBondContact O-N 3.49Å; F117-V221 HydrophobicContact CB-CB 4.42Å; F117-V221 HydrophobicContact CB-CG2 3.74Å; F117-V221 HydrophobicContact CD1-CG2 4.43Å; F117-V221 HydrophobicContact CD2-CB 3.57Å; F117-V221 HydrophobicContact CD2-CG1 3.9Å; F117-V221 HydrophobicContact CD2-CG2 3.75Å; F117-V221 HydrophobicContact CE2-CB 4.05Å; F117-V221 HydrophobicContact CE2-CG1 3.86Å; F117-V221 HydrophobicContact CE2-CG2 4.49Å; F117-V221 HydrophobicContact CG-CB 4.08Å; F117-V221 HydrophobicContact CG-CG2 3.7Å; F117-V221 HydrophobicContact CZ-CG1 4.45Å
118	P	88.9	Confident	75.5	Confident	36 Å²	36	86 Å²	86	23%	0.234	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-65.7	147.6	175.7	28.1	-35.3	0	0	0	112	T340 E343	P118-T340 WeakPolarHBondContact CG-O 3.45Å; P118-T340 PolarHBondContact O-OG1 3.42Å; P118-E343 VanDerWaalsContact CD-CD 3.45Å; P118-E343 VanDerWaalsContact CD-OE1 3.3Å; P118-E343 WeakPolarHBondContact CD-OE1 3.38Å; P118-E343 HydrophobicContact CG-CB 4.38Å; P118-E343 VanDerWaalsContact CG-CD 3.46Å; P118-E343 HydrophobicContact CG-CG 3.8Å
119	K	90.2	Very high	76.2	Confident	183 Å²	183	91 Å²	91	80%	0.796	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-65.7	148.8	173.9	-64.3	-170.7	175.2	-168.5	0	111.3	G121	K119-G121 PolarHBondContact O-N 3.09Å
120	N	90.8	Very high	76.9	Confident	9 Å²	9	93 Å²	93	5%	0.048	46%	0.463	C	S	.	.	S	Bend	trans	-78.9	38.6	178.6	-161.1	41.5	0	0	0	114.1	S216 S217 I219 P234 T340 G341	N120-S216 WeakPolarHBondContact CB-O 3.45Å; N120-S216 PolarHBondContact ND2-O 3.14Å; N120-S217 WeakPolarHBondContact O-CA 3.47Å; N120-I219 HydrophobicContact CB-CB 4.3Å; N120-I219 WeakPolarHBondContact CB-O 3.26Å; N120-P234 PolarHBondContact ND2-O 2.87Å; N120-T340 HydrophobicContact CB-CG2 4.22Å; N120-G341 PolarHBondContact OD1-N 3.48Å
121	G	86.1	Confident	78.3	Confident	32 Å²	32	93.4 Å²	93.4	33%	0.33	47%	0.465	S	S	.	.			trans	-101.9	127.8	-179.7	0	0	0	0	0	112.2	K119 N199	K119-G121 PolarHBondContact O-N 3.09Å; G121-N199 WeakPolarHBondContact CA-OD1 3.26Å
122	I	80.8	Confident	79.6	Confident	68 Å²	68	85.7 Å²	85.7	35%	0.349	43%	0.428	S	S	.	.			trans	-81	129.2	170.3	-58.4	175.3	0	0	0	108.4	N124 N199	I122-N124 WeakPolarHBondContact CG2-ND2 3.29Å; I122-N199 PolarHBondContact N-OD1 3.04Å; I122-N199 PolarHBondContact O-ND2 3.42Å
123	K	78.5	Confident	80.9	Confident	125 Å²	125	84.7 Å²	84.7	54%	0.543	43%	0.43	S	S	.	.			trans	-136.2	99.4	176.8	-172.3	174	-175.8	170.3	0	110.4	Q125	K123-Q125 VanDerWaalsContact CE-OE1 3.28Å; K123-Q125 HydrophobicContact CG-CB 4.22Å
124	N	75.9	Confident	82.1	Confident	92 Å²	92	87 Å²	87	49%	0.492	45%	0.445	S	S	.	.			trans	-96.2	-3.8	178.4	-63.1	-48.5	0	0	0	113.1	I122 K126 D195	I122-N124 WeakPolarHBondContact CG2-ND2 3.29Å; N124-K126 PolarHBondContact O-N 3.16Å; N124-D195 WeakPolarHBondContact CB-OD1 3.14Å; N124-D195 PolarHBondContact N-OD2 2.9Å; N124-D195 PolarHBondContact ND2-OD1 3.15Å
125	Q	76.6	Confident	83.4	Confident	46 Å²	46	78.5 Å²	78.5	22%	0.215	41%	0.41	C	S	.	.			trans	-53.6	131.3	171.7	-72.7	-175.7	-41.6	0	0	112.3	K123 E188 H192 D195	K123-Q125 VanDerWaalsContact CE-OE1 3.28Å; K123-Q125 HydrophobicContact CG-CB 4.22Å; Q125-E188 WeakPolarHBondContact CA-OE1 3.32Å; Q125-E188 WeakPolarHBondContact CB-OE1 3.05Å; Q125-H192 VanDerWaalsContact NE2-CB 3.27Å; Q125-H192 VanDerWaalsContact NE2-CG 3.32Å; Q125-H192 PolarHBondContact NE2-ND1 3.46Å; Q125-D195 PolarHBondContact N-OD2 3.05Å
126	K	75.1	Confident	84.1	Confident	63 Å²	63	74.2 Å²	74.2	27%	0.274	39%	0.39	S	S	.	.	S	Bend	trans	-72.2	-40	171	-73	171.5	-175	165.4	0	111.2	N124 E184 E188 R191 N355	N124-K126 PolarHBondContact O-N 3.16Å; K126-E184 IonicContact NZ-OE1 2.63Å; K126-E184 PolarHBondContact NZ-OE1 2.92Å; K126-E184 VanDerWaalsContact NZ-OE1 3.07Å; K126-E188 PolarHBondContact N-OE1 2.98Å; K126-R191 VanDerWaalsContact CG-NH1 3.26Å; K126-N355 WeakPolarHBondContact CE-OD1 3.25Å; K126-N355 PolarHBondContact NZ-OD1 3.08Å
127	Y	82	Confident	84.5	Confident	19 Å²	19	67.4 Å²	67.4	8%	0.075	36%	0.363	C	S	.	.			trans	-125.9	143	-173.7	-44.9	-76.4	0	0	0	111.1	F132 V136 Q139 E184 E188	Y127-F132 AromaticContact CD2-CD2 3.9Å; Y127-F132 HydrophobicContact CD2-CD2 3.9Å; Y127-F132 HydrophobicContact CD2-CE2 4.42Å; Y127-F132 HydrophobicContact CG-CD2 4.24Å; Y127-V136 HydrophobicContact CD2-CG2 4.48Å; Y127-V136 HydrophobicContact CE2-CG2 4.08Å; Y127-Q139 PolarHBondContact OH-NE2 2.96Å; Y127-Q139 PolarHBondContact OH-OE1 2.8Å; Y127-E184 HydrophobicContact CE2-CG 4.01Å; Y127-E188 PolarHBondContact N-OE1 3.04Å
128	N	82.7	Confident	84.4	Confident	81 Å²	81	69.4 Å²	69.4	43%	0.433	37%	0.37	S	S	.	.			trans	-80.1	161	158.2	-159.7	9.9	0	0	0	110.6	L130 T131 F132	N128-L130 PolarHBondContact O-N 3.43Å; N128-L130 VanDerWaalsContact O-N 3.15Å; N128-T131 WeakPolarHBondContact CA-OG1 3.1Å; N128-T131 HydrophobicContact CB-CG2 4.48Å; N128-T131 WeakPolarHBondContact CB-OG1 3.38Å; N128-T131 PolarHBondContact N-OG1 2.82Å; N128-T131 CarbonylContact O-C 3.53Å; N128-T131 PolarHBondContact O-N 2.89Å; N128-T131 PolarHBondContact O-OG1 2.83Å; N128-F132 PolarHBondContact O-N 2.93Å
129	V	82.6	Confident	84.1	Confident	129 Å²	129	70.2 Å²	70.2	78%	0.782	37%	0.37	S	S	*	.	H	α-helix	trans	-50.9	-42.7	-179.9	-179.8	0	0	0	0	111.9
130	L	85.5	Confident	83.8	Confident	150 Å²	150	62.4 Å²	62.4	79%	0.785	34%	0.337	S	S	*	.	H	α-helix	trans	-74.7	-33.3	178.4	-65.1	172.5	0	0	0	113.7	N128 F132 P134	N128-L130 PolarHBondContact O-N 3.43Å; N128-L130 VanDerWaalsContact O-N 3.15Å; L130-F132 VanDerWaalsContact C-N 3.34Å; L130-P134 WeakPolarHBondContact O-CD 3.29Å
131	T	87.1	Confident	83.5	Confident	72 Å²	72	64 Å²	64	44%	0.442	34%	0.343	S	S	.	.	H	α-helix	trans	-86.6	-8.3	-178.7	55.9	0	0	0	0	112.9	N128 G135	N128-T131 WeakPolarHBondContact CA-OG1 3.1Å; N128-T131 HydrophobicContact CB-CG2 4.48Å; N128-T131 WeakPolarHBondContact CB-OG1 3.38Å; N128-T131 PolarHBondContact N-OG1 2.82Å; N128-T131 CarbonylContact O-C 3.53Å; N128-T131 PolarHBondContact O-N 2.89Å; N128-T131 PolarHBondContact O-OG1 2.83Å; T131-G135 WeakPolarHBondContact O-CA 3.16Å; T131-G135 PolarHBondContact O-N 3.3Å
132	F	89.1	Confident	83.4	Confident	35 Å²	35	68 Å²	68	15%	0.154	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-57.9	-176.8	177.3	-100.9	0	0	0	111.2	Y127 N128 L130 G135 V136 E184 A185	Y127-F132 AromaticContact CD2-CD2 3.9Å; Y127-F132 HydrophobicContact CD2-CD2 3.9Å; Y127-F132 HydrophobicContact CD2-CE2 4.42Å; Y127-F132 HydrophobicContact CG-CD2 4.24Å; N128-F132 PolarHBondContact O-N 2.93Å; L130-F132 VanDerWaalsContact C-N 3.34Å; F132-G135 PolarHBondContact O-N 3.01Å; F132-V136 HydrophobicContact CD2-CG2 3.91Å; F132-V136 HydrophobicContact CE1-CG2 4.47Å; F132-V136 HydrophobicContact CE2-CG2 3.68Å; F132-V136 HydrophobicContact CG-CG2 4.41Å; F132-V136 HydrophobicContact CZ-CG2 3.97Å; F132-V136 WeakPolarHBondContact O-CB 3.44Å; F132-V136 WeakPolarHBondContact O-CG2 3.39Å; F132-V136 PolarHBondContact O-N 3.48Å; F132-E184 HydrophobicContact CE2-CB 4.22Å; F132-E184 HydrophobicContact CE2-CG 4.06Å; F132-E184 HydrophobicContact CZ-CB 4.32Å; F132-A185 HydrophobicContact CE1-CB 4.21Å; F132-A185 HydrophobicContact CE2-CB 4.29Å; F132-A185 HydrophobicContact CZ-CB 3.64Å
133	V	88.8	Confident	83.3	Confident	74 Å²	74	66.8 Å²	66.8	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-51.7	-176.8	179.7	0	0	0	0	112	G135 V136 L137	V133-G135 VanDerWaalsContact C-N 3.34Å; V133-G135 PolarHBondContact O-N 2.91Å; V133-V136 PolarHBondContact O-N 2.93Å; V133-L137 HydrophobicContact CG1-CD1 3.79Å; V133-L137 HydrophobicContact CG1-CG 4.33Å; V133-L137 WeakPolarHBondContact O-CB 3.31Å; V133-L137 VanDerWaalsContact O-CG 3.25Å; V133-L137 WeakPolarHBondContact O-CG 3.26Å; V133-L137 PolarHBondContact O-N 2.88Å
134	P	88.3	Confident	83.5	Confident	82 Å²	82	63.4 Å²	63.4	53%	0.532	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-38.4	178.7	-21.3	34.2	0	0	0	112.9	L130 Y138	L130-P134 WeakPolarHBondContact O-CD 3.29Å; P134-Y138 VanDerWaalsContact O-CB 3.28Å; P134-Y138 WeakPolarHBondContact O-CB 3.33Å; P134-Y138 PolarHBondContact O-N 3.3Å
135	G	85.6	Confident	83.8	Confident	19 Å²	19	59.7 Å²	59.7	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-44.9	179.9	0	0	0	0	0	112.7	T131 F132 V133 Q139	T131-G135 WeakPolarHBondContact O-CA 3.16Å; T131-G135 PolarHBondContact O-N 3.3Å; F132-G135 PolarHBondContact O-N 3.01Å; V133-G135 VanDerWaalsContact C-N 3.34Å; V133-G135 PolarHBondContact O-N 2.91Å; G135-Q139 WeakPolarHBondContact O-CG 3.28Å; G135-Q139 PolarHBondContact O-N 2.96Å; G135-Q139 VanDerWaalsContact O-N 3.08Å
136	V	85.6	Confident	84.1	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-68.2	-45.4	178.2	174.2	0	0	0	0	110.8	Y127 F132 V133 Y138 Q139 Q140 M181 E184	Y127-V136 HydrophobicContact CD2-CG2 4.48Å; Y127-V136 HydrophobicContact CE2-CG2 4.08Å; F132-V136 HydrophobicContact CD2-CG2 3.91Å; F132-V136 HydrophobicContact CE1-CG2 4.47Å; F132-V136 HydrophobicContact CE2-CG2 3.68Å; F132-V136 HydrophobicContact CG-CG2 4.41Å; F132-V136 HydrophobicContact CZ-CG2 3.97Å; F132-V136 WeakPolarHBondContact O-CB 3.44Å; F132-V136 WeakPolarHBondContact O-CG2 3.39Å; F132-V136 PolarHBondContact O-N 3.48Å; V133-V136 PolarHBondContact O-N 2.93Å; V136-Y138 VanDerWaalsContact C-N 3.33Å; V136-Y138 PolarHBondContact O-N 2.95Å; V136-Q139 PolarHBondContact O-N 3.05Å; V136-Q139 VanDerWaalsContact O-N 3.15Å; V136-Q140 HydrophobicContact CG1-CG 4.41Å; V136-Q140 WeakPolarHBondContact O-CG 3.32Å; V136-Q140 PolarHBondContact O-N 2.95Å; V136-M181 HydrophobicContact CG1-CG 3.97Å; V136-E184 HydrophobicContact CG2-CB 4.39Å; V136-E184 HydrophobicContact CG2-CG 3.91Å
137	L	86.7	Confident	84.7	Confident	52 Å²	52	56.5 Å²	56.5	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-42.8	176.8	-70.1	176.1	0	0	0	111.7	V133 Q139 Q140 F141 M181	V133-L137 HydrophobicContact CG1-CD1 3.79Å; V133-L137 HydrophobicContact CG1-CG 4.33Å; V133-L137 WeakPolarHBondContact O-CB 3.31Å; V133-L137 VanDerWaalsContact O-CG 3.25Å; V133-L137 WeakPolarHBondContact O-CG 3.26Å; V133-L137 PolarHBondContact O-N 2.88Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 2.72Å; L137-Q140 PolarHBondContact O-N 3.48Å; L137-F141 HydrophobicContact CB-CD2 4.31Å; L137-F141 HydrophobicContact CB-CE2 4.31Å; L137-F141 HydrophobicContact CD2-CE2 4.04Å; L137-F141 WeakPolarHBondContact O-CD2 3.33Å; L137-F141 PolarHBondContact O-N 3.46Å; L137-M181 HydrophobicContact CD2-SD 4.39Å
138	Y	85.6	Confident	84.9	Confident	89 Å²	89	56.3 Å²	56.3	35%	0.349	30%	0.296	S	S	.	.	H	α-helix	trans	-58.4	-44.3	174.7	176.1	-104	0	0	0	111.7	P134 V136 Q140 F141 K142	P134-Y138 VanDerWaalsContact O-CB 3.28Å; P134-Y138 WeakPolarHBondContact O-CB 3.33Å; P134-Y138 PolarHBondContact O-N 3.3Å; V136-Y138 VanDerWaalsContact C-N 3.33Å; V136-Y138 PolarHBondContact O-N 2.95Å; Y138-Q140 VanDerWaalsContact C-N 3.34Å; Y138-Q140 PolarHBondContact O-N 3.49Å; Y138-F141 PolarHBondContact O-N 3.4Å; Y138-K142 WeakPolarHBondContact O-CB 3.42Å; Y138-K142 PolarHBondContact O-N 2.88Å
139	Q	81.7	Confident	85.1	Confident	53 Å²	53	52.9 Å²	52.9	25%	0.248	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-34	178.4	-73.7	-178.2	9.7	0	0	113.5	Y127 G135 V136 L137 F143 N355	Y127-Q139 PolarHBondContact OH-NE2 2.96Å; Y127-Q139 PolarHBondContact OH-OE1 2.8Å; G135-Q139 WeakPolarHBondContact O-CG 3.28Å; G135-Q139 PolarHBondContact O-N 2.96Å; G135-Q139 VanDerWaalsContact O-N 3.08Å; V136-Q139 PolarHBondContact O-N 3.05Å; V136-Q139 VanDerWaalsContact O-N 3.15Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 2.72Å; Q139-F143 WeakPolarHBondContact O-CD2 3.28Å; Q139-F143 WeakPolarHBondContact O-CE2 3.43Å; Q139-N355 PolarHBondContact NE2-ND2 3.26Å; Q139-N355 PolarHBondContact OE1-ND2 3.28Å
140	Q	84.1	Confident	85.4	Confident	19 Å²	19	48.9 Å²	48.9	9%	0.089	25%	0.251	C	S	.	.	H	α-helix	trans	-69.2	-47	174.6	-67.2	-50.1	-43.4	0	0	111.4	V136 L137 Y138 K142 F143 N146 L177 T180	V136-Q140 HydrophobicContact CG1-CG 4.41Å; V136-Q140 WeakPolarHBondContact O-CG 3.32Å; V136-Q140 PolarHBondContact O-N 2.95Å; L137-Q140 PolarHBondContact O-N 3.48Å; Y138-Q140 VanDerWaalsContact C-N 3.34Å; Y138-Q140 PolarHBondContact O-N 3.49Å; Q140-K142 VanDerWaalsContact C-N 3.31Å; Q140-K142 PolarHBondContact O-N 2.92Å; Q140-F143 PolarHBondContact O-N 2.83Å; Q140-N146 VanDerWaalsContact O-CB 3.27Å; Q140-N146 WeakPolarHBondContact O-CB 3.36Å; Q140-N146 PolarHBondContact O-ND2 3.24Å; Q140-N146 PolarHBondContact OE1-ND2 2.89Å; Q140-L177 HydrophobicContact CB-CD2 4.14Å; Q140-L177 HydrophobicContact CG-CD2 4.35Å; Q140-T180 VanDerWaalsContact CD-CG2 3.49Å; Q140-T180 HydrophobicContact CG-CG2 4.24Å
141	F	86.1	Confident	85.6	Confident	42 Å²	42	46.1 Å²	46.1	18%	0.184	24%	0.24	C	C	.	.	H	α-helix	trans	-80	-8.1	-177.9	-65.3	-56.9	0	0	0	114.6	L137 Y138 F143 N146 L150 L177	L137-F141 HydrophobicContact CB-CD2 4.31Å; L137-F141 HydrophobicContact CB-CE2 4.31Å; L137-F141 HydrophobicContact CD2-CE2 4.04Å; L137-F141 WeakPolarHBondContact O-CD2 3.33Å; L137-F141 PolarHBondContact O-N 3.46Å; Y138-F141 PolarHBondContact O-N 3.4Å; F141-F143 PolarHBondContact O-N 2.99Å; F141-N146 HydrophobicContact CD1-CB 4.04Å; F141-N146 HydrophobicContact CE1-CB 4.45Å; F141-L150 HydrophobicContact CD1-CB 4.27Å; F141-L150 HydrophobicContact CD1-CD2 4.07Å; F141-L150 HydrophobicContact CE1-CB 3.82Å; F141-L150 HydrophobicContact CE1-CD1 4.37Å; F141-L150 HydrophobicContact CE1-CD2 3.9Å; F141-L150 HydrophobicContact CE1-CG 4.25Å; F141-L150 HydrophobicContact CE2-CD2 4.34Å; F141-L150 HydrophobicContact CG-CD2 4.39Å; F141-L150 HydrophobicContact CZ-CB 4.48Å; F141-L150 HydrophobicContact CZ-CD1 4.21Å; F141-L150 HydrophobicContact CZ-CD2 4.03Å; F141-L150 HydrophobicContact CZ-CG 4.48Å; F141-L177 HydrophobicContact CZ-CD1 3.82Å; F141-L177 HydrophobicContact CZ-CD2 4.27Å
142	K	82.3	Confident	85.6	Confident	117 Å²	117	43.1 Å²	43.1	51%	0.509	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.7	166.8	-177.8	-178.3	175.7	-176	0	111.5	Y138 Q140	Y138-K142 WeakPolarHBondContact O-CB 3.42Å; Y138-K142 PolarHBondContact O-N 2.88Å; Q140-K142 VanDerWaalsContact C-N 3.31Å; Q140-K142 PolarHBondContact O-N 2.92Å
143	F	79.2	Confident	85.6	Confident	42 Å²	42	41.6 Å²	41.6	18%	0.184	22%	0.215	C	C	.	.	S	Bend	trans	-80.4	132.7	178.2	-63.7	-78.9	0	0	0	111.3	Q139 Q140 F141 L145 N146 L147 V357	Q139-F143 WeakPolarHBondContact O-CD2 3.28Å; Q139-F143 WeakPolarHBondContact O-CE2 3.43Å; Q140-F143 PolarHBondContact O-N 2.83Å; F141-F143 PolarHBondContact O-N 2.99Å; F143-L145 PolarHBondContact O-N 2.85Å; F143-N146 PolarHBondContact O-N 2.85Å; F143-N146 VanDerWaalsContact O-N 3.17Å; F143-L147 PolarHBondContact O-N 2.92Å; F143-V357 HydrophobicContact CE1-CG1 4.19Å; F143-V357 HydrophobicContact CZ-CG1 4.17Å; F143-V357 HydrophobicContact CZ-CG2 4.17Å
144	F	83.8	Confident	85.7	Confident	54 Å²	54	40.8 Å²	40.8	24%	0.237	21%	0.212	C	C	.	.	H	α-helix	trans	-54.1	-40.1	-177.5	175.8	-98.8	0	0	0	112.7	N146 L147 Y148 N365 T368 K369 F372	F144-N146 PolarHBondContact O-N 2.93Å; F144-L147 PolarHBondContact O-N 3.36Å; F144-Y148 VanDerWaalsContact O-CB 3.28Å; F144-Y148 WeakPolarHBondContact O-CB 3.31Å; F144-Y148 PolarHBondContact O-N 3.19Å; F144-N365 WeakPolarHBondContact CB-OD1 3.47Å; F144-T368 HydrophobicContact CD1-CG2 4.08Å; F144-T368 HydrophobicContact CE1-CG2 4.27Å; F144-K369 HydrophobicContact CD1-CG 3.75Å; F144-K369 HydrophobicContact CE1-CG 4.04Å; F144-K369 HydrophobicContact CG-CG 4.11Å; F144-F372 HydrophobicContact CE1-CB 3.93Å; F144-F372 HydrophobicContact CE1-CG 4.16Å; F144-F372 HydrophobicContact CZ-CB 3.99Å; F144-F372 AromaticContact CZ-CD1 3.74Å; F144-F372 HydrophobicContact CZ-CD1 3.74Å; F144-F372 HydrophobicContact CZ-CD2 4.23Å; F144-F372 HydrophobicContact CZ-CE1 4.28Å; F144-F372 AromaticContact CZ-CG 3.71Å; F144-F372 HydrophobicContact CZ-CG 3.71Å
145	L	81.4	Confident	85.8	Confident	13 Å²	13	38.1 Å²	38.1	7%	0.068	20%	0.195	C	C	.	.	H	α-helix	trans	-55.3	-50.7	178.6	-179	69.6	0	0	0	112.6	F143 Y148 F149 T368 I407 R412	F143-L145 PolarHBondContact O-N 2.85Å; L145-Y148 PolarHBondContact O-N 3.37Å; L145-F149 HydrophobicContact CD1-CD2 4.42Å; L145-F149 HydrophobicContact CD1-CE2 3.49Å; L145-F149 VanDerWaalsContact CD1-CE2 3.49Å; L145-F149 HydrophobicContact CD1-CZ 3.94Å; L145-F149 HydrophobicContact CG-CD2 4.37Å; L145-F149 HydrophobicContact CG-CE2 3.77Å; L145-F149 WeakPolarHBondContact O-CD2 3.32Å; L145-F149 PolarHBondContact O-N 3.41Å; L145-T368 HydrophobicContact CB-CG2 4.28Å; L145-T368 HydrophobicContact CD1-CG2 3.59Å; L145-I407 HydrophobicContact CD1-CG2 3.38Å; L145-R412 HydrophobicContact CD2-CB 4.02Å
146	N	83.1	Confident	86	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-72.8	-37.5	-177.1	-69.9	-19.8	0	0	0	111.7	Q140 F141 F143 F144 Y148 F149 L150	Q140-N146 VanDerWaalsContact O-CB 3.27Å; Q140-N146 WeakPolarHBondContact O-CB 3.36Å; Q140-N146 PolarHBondContact O-ND2 3.24Å; Q140-N146 PolarHBondContact OE1-ND2 2.89Å; F141-N146 HydrophobicContact CD1-CB 4.04Å; F141-N146 HydrophobicContact CE1-CB 4.45Å; F143-N146 PolarHBondContact O-N 2.85Å; F143-N146 VanDerWaalsContact O-N 3.17Å; F144-N146 PolarHBondContact O-N 2.93Å; N146-Y148 VanDerWaalsContact C-N 3.34Å; N146-F149 PolarHBondContact O-N 3.26Å; N146-L150 PolarHBondContact O-N 3.45Å; N146-L150 VanDerWaalsContact O-N 3.12Å
147	L	86.6	Confident	86.2	Confident	40 Å²	40	43.1 Å²	43.1	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-42.1	175.1	-177.8	64.2	0	0	0	111.5	W79 F143 F144 F149 L150 V151	W79-L147 HydrophobicContact CZ2-CD2 4.44Å; F143-L147 PolarHBondContact O-N 2.92Å; F144-L147 PolarHBondContact O-N 3.36Å; L147-F149 PolarHBondContact O-N 3.05Å; L147-L150 WeakPolarHBondContact O-CB 3.38Å; L147-L150 PolarHBondContact O-N 3.21Å; L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.36Å
148	Y	87.4	Confident	86.3	Confident	15 Å²	15	44 Å²	44	6%	0.059	22%	0.219	C	C	.	.	H	α-helix	trans	-56.6	-48.3	176.4	165.6	-97.3	0	0	0	111.6	F144 L145 N146 L150 V151 V152 F372 Q375 S404 I407	F144-Y148 VanDerWaalsContact O-CB 3.28Å; F144-Y148 WeakPolarHBondContact O-CB 3.31Å; F144-Y148 PolarHBondContact O-N 3.19Å; L145-Y148 PolarHBondContact O-N 3.37Å; N146-Y148 VanDerWaalsContact C-N 3.34Å; Y148-L150 VanDerWaalsContact C-N 3.33Å; Y148-L150 PolarHBondContact O-N 2.98Å; Y148-V151 PolarHBondContact O-N 3.39Å; Y148-V152 HydrophobicContact CD1-CG2 4.49Å; Y148-V152 HydrophobicContact CD2-CG2 4.25Å; Y148-V152 HydrophobicContact CE1-CG2 4.05Å; Y148-V152 HydrophobicContact CE2-CG2 3.81Å; Y148-V152 WeakPolarHBondContact O-CG2 3.44Å; Y148-V152 PolarHBondContact O-N 3.3Å; Y148-F372 AromaticContact CD2-CD2 3.71Å; Y148-F372 HydrophobicContact CD2-CD2 3.71Å; Y148-F372 AromaticContact CD2-CE2 3.85Å; Y148-F372 HydrophobicContact CD2-CE2 3.85Å; Y148-F372 AromaticContact CE2-CD2 3.52Å; Y148-F372 HydrophobicContact CE2-CD2 3.52Å; Y148-F372 AromaticContact CE2-CE2 3.7Å; Y148-F372 HydrophobicContact CE2-CE2 3.7Å; Y148-Q375 PolarHBondContact OH-NE2 3.21Å; Y148-Q375 PolarHBondContact OH-OE1 3.32Å; Y148-S404 WeakPolarHBondContact OH-CA 3.29Å; Y148-S404 VanDerWaalsContact OH-CB 3.25Å; Y148-S404 WeakPolarHBondContact OH-CB 3.43Å; Y148-I407 HydrophobicContact CD1-CD1 4.24Å; Y148-I407 HydrophobicContact CE1-CB 4.06Å; Y148-I407 HydrophobicContact CE1-CD1 3.93Å; Y148-I407 HydrophobicContact CE1-CG1 4.46Å; Y148-I407 HydrophobicContact CE1-CG2 4.49Å; Y148-I407 HydrophobicContact CE2-CD1 4.36Å
149	F	86.6	Confident	86.3	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-33.9	178.4	-65.5	-53.1	0	0	0	113.4	L145 N146 L147 V152 S153 L173 I407 I409	L145-F149 HydrophobicContact CD1-CD2 4.42Å; L145-F149 HydrophobicContact CD1-CE2 3.49Å; L145-F149 VanDerWaalsContact CD1-CE2 3.49Å; L145-F149 HydrophobicContact CD1-CZ 3.94Å; L145-F149 HydrophobicContact CG-CD2 4.37Å; L145-F149 HydrophobicContact CG-CE2 3.77Å; L145-F149 WeakPolarHBondContact O-CD2 3.32Å; L145-F149 PolarHBondContact O-N 3.41Å; N146-F149 PolarHBondContact O-N 3.26Å; L147-F149 PolarHBondContact O-N 3.05Å; F149-V152 PolarHBondContact O-N 3.41Å; F149-S153 VanDerWaalsContact O-CB 3.3Å; F149-S153 WeakPolarHBondContact O-CB 3.47Å; F149-S153 PolarHBondContact O-N 2.68Å; F149-S153 PolarHBondContact O-OG 3.23Å; F149-L173 HydrophobicContact CB-CD1 4.09Å; F149-I407 HydrophobicContact CE1-CG2 4.37Å; F149-I407 VanDerWaalsContact CE1-O 3.28Å; F149-I407 WeakPolarHBondContact CE1-O 3.33Å; F149-I407 HydrophobicContact CE2-CG2 4.48Å; F149-I407 HydrophobicContact CZ-CB 4.3Å; F149-I407 HydrophobicContact CZ-CG2 3.74Å; F149-I407 VanDerWaalsContact CZ-O 3.26Å; F149-I407 WeakPolarHBondContact CZ-O 3.21Å; F149-I409 HydrophobicContact CD1-CD1 4.19Å; F149-I409 HydrophobicContact CD1-CG1 3.42Å; F149-I409 VanDerWaalsContact CD1-CG1 3.42Å; F149-I409 HydrophobicContact CD2-CG1 4.26Å; F149-I409 HydrophobicContact CE1-CB 4.21Å; F149-I409 HydrophobicContact CE1-CD1 4.32Å; F149-I409 HydrophobicContact CE1-CG1 3.25Å; F149-I409 HydrophobicContact CE2-CB 4.29Å; F149-I409 HydrophobicContact CE2-CG1 4.11Å; F149-I409 HydrophobicContact CG-CG1 3.94Å; F149-I409 HydrophobicContact CZ-CB 4.08Å; F149-I409 HydrophobicContact CZ-CG1 3.62Å
150	L	88.9	Confident	86.5	Confident	45 Å²	45	45.3 Å²	45.3	24%	0.236	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-46.2	172.4	-177.1	65.5	0	0	0	110.9	F141 N146 L147 Y148 S153 C154 W170 L173	F141-L150 HydrophobicContact CD1-CB 4.27Å; F141-L150 HydrophobicContact CD1-CD2 4.07Å; F141-L150 HydrophobicContact CE1-CB 3.82Å; F141-L150 HydrophobicContact CE1-CD1 4.37Å; F141-L150 HydrophobicContact CE1-CD2 3.9Å; F141-L150 HydrophobicContact CE1-CG 4.25Å; F141-L150 HydrophobicContact CE2-CD2 4.34Å; F141-L150 HydrophobicContact CG-CD2 4.39Å; F141-L150 HydrophobicContact CZ-CB 4.48Å; F141-L150 HydrophobicContact CZ-CD1 4.21Å; F141-L150 HydrophobicContact CZ-CD2 4.03Å; F141-L150 HydrophobicContact CZ-CG 4.48Å; N146-L150 PolarHBondContact O-N 3.45Å; N146-L150 VanDerWaalsContact O-N 3.12Å; L147-L150 WeakPolarHBondContact O-CB 3.38Å; L147-L150 PolarHBondContact O-N 3.21Å; Y148-L150 VanDerWaalsContact C-N 3.33Å; Y148-L150 PolarHBondContact O-N 2.98Å; L150-S153 PolarHBondContact O-N 3.06Å; L150-C154 WeakPolarHBondContact O-CB 3.46Å; L150-C154 PolarHBondContact O-N 2.93Å; L150-C154 PolarHBondContact O-SG 3.25Å; L150-W170 HydrophobicContact CD1-CH2 4.05Å; L150-L173 HydrophobicContact CD1-CD2 4.39Å
151	V	89.6	Confident	86.5	Confident	92 Å²	92	45.9 Å²	45.9	56%	0.558	25%	0.251	S	S	*	.	H	α-helix	trans	-63.4	-44.4	178.4	173.7	0	0	0	0	111.3	L147 Y148 C154 S155	L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.36Å; Y148-V151 PolarHBondContact O-N 3.39Å; V151-C154 PolarHBondContact O-N 3.17Å; V151-S155 PolarHBondContact O-N 3.4Å
152	V	88.4	Confident	86.5	Confident	10 Å²	10	48.5 Å²	48.5	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-47.1	176.8	173.9	0	0	0	0	110.8	Y148 F149 C154 S155 Y169	Y148-V152 HydrophobicContact CD1-CG2 4.49Å; Y148-V152 HydrophobicContact CD2-CG2 4.25Å; Y148-V152 HydrophobicContact CE1-CG2 4.05Å; Y148-V152 HydrophobicContact CE2-CG2 3.81Å; Y148-V152 WeakPolarHBondContact O-CG2 3.44Å; Y148-V152 PolarHBondContact O-N 3.3Å; F149-V152 PolarHBondContact O-N 3.41Å; V152-C154 PolarHBondContact O-N 3.32Å; V152-S155 WeakPolarHBondContact O-CB 3.41Å; V152-S155 PolarHBondContact O-N 2.97Å; V152-S155 PolarHBondContact O-OG 2.92Å; V152-Y169 HydrophobicContact CG1-CD1 3.95Å; V152-Y169 HydrophobicContact CG1-CE1 4.09Å
153	S	88.5	Confident	86.5	Confident	2 Å²	2	44 Å²	44	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-39.8	178.1	-66.4	0	0	0	0	112.8	F149 L150 S155 Q156 Y169 W170	F149-S153 VanDerWaalsContact O-CB 3.3Å; F149-S153 WeakPolarHBondContact O-CB 3.47Å; F149-S153 PolarHBondContact O-N 2.68Å; F149-S153 PolarHBondContact O-OG 3.23Å; L150-S153 PolarHBondContact O-N 3.06Å; S153-S155 VanDerWaalsContact C-N 3.35Å; S153-Q156 PolarHBondContact O-N 3.08Å; S153-Y169 PolarHBondContact OG-O 3.12Å; S153-W170 PolarHBondContact O-NE1 3.07Å; S153-W170 VanDerWaalsContact O-NE1 3.16Å
154	C	90.6	Very high	86.5	Confident	58 Å²	58	42.7 Å²	42.7	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-65.9	-36	175.2	-73.6	0	0	0	0	112.4	L150 V151 V152 Q156 F157	L150-C154 WeakPolarHBondContact O-CB 3.46Å; L150-C154 PolarHBondContact O-N 2.93Å; L150-C154 PolarHBondContact O-SG 3.25Å; V151-C154 PolarHBondContact O-N 3.17Å; V152-C154 PolarHBondContact O-N 3.32Å; C154-Q156 PolarHBondContact O-N 3.26Å; C154-Q156 VanDerWaalsContact O-N 3.15Å; C154-F157 PolarHBondContact O-N 3.11Å; C154-F157 VanDerWaalsContact O-N 3.17Å
155	S	89.7	Confident	86.5	Confident	25 Å²	25	45.3 Å²	45.3	18%	0.175	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-26.1	178.5	76.7	0	0	0	0	113.1	V151 V152 S153 F157 V158	V151-S155 PolarHBondContact O-N 3.4Å; V152-S155 WeakPolarHBondContact O-CB 3.41Å; V152-S155 PolarHBondContact O-N 2.97Å; V152-S155 PolarHBondContact O-OG 2.92Å; S153-S155 VanDerWaalsContact C-N 3.35Å; S155-F157 PolarHBondContact O-N 3.17Å; S155-V158 WeakPolarHBondContact O-CB 3.41Å; S155-V158 PolarHBondContact O-N 3.3Å; S155-V158 VanDerWaalsContact O-N 3.14Å
156	Q	89.5	Confident	86.8	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.2	-179	-58.9	-51.8	-70.5	0	0	114	S153 C154 V158 L166 Y169	S153-Q156 PolarHBondContact O-N 3.08Å; C154-Q156 PolarHBondContact O-N 3.26Å; C154-Q156 VanDerWaalsContact O-N 3.15Å; Q156-V158 PolarHBondContact O-N 2.63Å; Q156-L166 HydrophobicContact CB-CD2 3.81Å; Q156-L166 WeakPolarHBondContact O-CD2 3.25Å; Q156-Y169 HydrophobicContact CG-CD1 4.3Å; Q156-Y169 HydrophobicContact CG-CD2 3.63Å; Q156-Y169 HydrophobicContact CG-CE1 4.49Å; Q156-Y169 HydrophobicContact CG-CE2 3.86Å; Q156-Y169 HydrophobicContact CG-CG 3.87Å
157	F	90.1	Very high	86.9	Confident	126 Å²	126	51.2 Å²	51.2	55%	0.553	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.5	170.6	-73.2	-67.7	0	0	0	112.7	C154 S155 P159 L166 W170	C154-F157 PolarHBondContact O-N 3.11Å; C154-F157 VanDerWaalsContact O-N 3.17Å; S155-F157 PolarHBondContact O-N 3.17Å; F157-P159 VanDerWaalsContact O-CD 3.27Å; F157-P159 WeakPolarHBondContact O-CD 3.37Å; F157-L166 HydrophobicContact CD1-CD1 4.46Å; F157-L166 HydrophobicContact CD1-CD2 4.09Å; F157-L166 HydrophobicContact CE1-CD1 4.3Å; F157-L166 HydrophobicContact CE1-CD2 4.24Å; F157-W170 AromaticContact CE2-CE2 3.71Å; F157-W170 AromaticContact CE2-CZ2 3.7Å; F157-W170 HydrophobicContact CE2-CZ2 3.7Å; F157-W170 AromaticContact CE2-NE1 3.37Å; F157-W170 HydrophobicContact CZ-CZ2 4.42Å; F157-W170 AromaticContact CZ-NE1 3.7Å
158	V	89.8	Confident	86.7	Confident	69 Å²	69	49.7 Å²	49.7	42%	0.418	27%	0.27	S	S	.	.	S	Bend	trans	-82.2	112.7	178.7	-176.8	0	0	0	0	108.9	S155 Q156 A160 L161 K162	S155-V158 WeakPolarHBondContact O-CB 3.41Å; S155-V158 PolarHBondContact O-N 3.3Å; S155-V158 VanDerWaalsContact O-N 3.14Å; Q156-V158 PolarHBondContact O-N 2.63Å; V158-A160 HydrophobicContact CG1-CB 4.34Å; V158-A160 PolarHBondContact O-N 3.09Å; V158-A160 VanDerWaalsContact O-N 3.12Å; V158-L161 HydrophobicContact CB-CB 4.28Å; V158-L161 HydrophobicContact CB-CD1 4.17Å; V158-L161 HydrophobicContact CB-CG 4.17Å; V158-L161 HydrophobicContact CG1-CB 4.48Å; V158-L161 HydrophobicContact CG1-CD1 4.2Å; V158-L161 HydrophobicContact CG1-CG 3.97Å; V158-L161 PolarHBondContact O-N 3.14Å; V158-K162 PolarHBondContact O-N 3.04Å
159	P	86.1	Confident	86.6	Confident	116 Å²	116	49.5 Å²	49.5	75%	0.753	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-58.9	-32.2	-174.2	-26.1	36.1	0	0	0	113.7	F157 L161 K162	F157-P159 VanDerWaalsContact O-CD 3.27Å; F157-P159 WeakPolarHBondContact O-CD 3.37Å; P159-L161 VanDerWaalsContact C-N 3.25Å; P159-L161 PolarHBondContact O-N 3.46Å; P159-K162 PolarHBondContact O-N 3.32Å
160	A	84.1	Confident	86.7	Confident	54 Å²	54	53.2 Å²	53.2	45%	0.446	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-68.9	-19.5	178	0	0	0	0	0	114.3	V158	V158-A160 HydrophobicContact CG1-CB 4.34Å; V158-A160 PolarHBondContact O-N 3.09Å; V158-A160 VanDerWaalsContact O-N 3.12Å
161	L	85	Confident	86.4	Confident	31 Å²	31	53.7 Å²	53.7	16%	0.162	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-109.5	-5.2	-178.5	-56.1	-177	0	0	0	112.8	V158 P159 F397	V158-L161 HydrophobicContact CB-CB 4.28Å; V158-L161 HydrophobicContact CB-CD1 4.17Å; V158-L161 HydrophobicContact CB-CG 4.17Å; V158-L161 HydrophobicContact CG1-CB 4.48Å; V158-L161 HydrophobicContact CG1-CD1 4.2Å; V158-L161 HydrophobicContact CG1-CG 3.97Å; V158-L161 PolarHBondContact O-N 3.14Å; P159-L161 VanDerWaalsContact C-N 3.25Å; P159-L161 PolarHBondContact O-N 3.46Å; L161-F397 HydrophobicContact CD2-CB 3.65Å; L161-F397 HydrophobicContact CD2-CG 4.32Å
162	K	85.7	Confident	86	Confident	98 Å²	98	50 Å²	50	43%	0.426	27%	0.271	S	S	.	.			trans	-71.3	129.2	-174.7	-174.8	179.5	177.1	-175.9	0	110.9	V158 P159 G164	V158-K162 PolarHBondContact O-N 3.04Å; P159-K162 PolarHBondContact O-N 3.32Å; K162-G164 WeakPolarHBondContact CE-O 3.45Å; K162-G164 WeakPolarHBondContact CG-O 3.47Å
163	I	82.9	Confident	85.8	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.108	27%	0.269	C	S	.	.			trans	-115	-38.1	179.1	-59.4	-178.6	0	0	0	111.6	R398 V401 L402 P946	I163-R398 HydrophobicContact CD1-CB 4.03Å; I163-R398 HydrophobicContact CD1-CG 4.46Å; I163-R398 WeakPolarHBondContact CD1-O 3.11Å; I163-R398 HydrophobicContact CG1-CB 4.46Å; I163-R398 HydrophobicContact CG1-CG 4.4Å; I163-V401 HydrophobicContact CB-CG1 4.42Å; I163-V401 HydrophobicContact CD1-CB 3.65Å; I163-V401 HydrophobicContact CD1-CG1 3.65Å; I163-V401 HydrophobicContact CG1-CG1 4.16Å; I163-L402 HydrophobicContact CD1-CB 4Å; I163-L402 HydrophobicContact CG2-CD1 4.24Å; I163-P946 HydrophobicContact CG2-CB 3.96Å; I163-P946 HydrophobicContact CG2-CG 3.64Å
164	G	78.5	Confident	85.7	Confident	16 Å²	16	51.1 Å²	51.1	17%	0.165	29%	0.285	C	S	.	.	S	Bend	trans	-130.3	-170.5	-178.1	0	0	0	0	0	112.9	K162	K162-G164 WeakPolarHBondContact CE-O 3.45Å; K162-G164 WeakPolarHBondContact CG-O 3.47Å
165	Y	85.2	Confident	85.4	Confident	108 Å²	108	54.2 Å²	54.2	42%	0.424	29%	0.292	S	S	.	.			trans	-74.1	142.4	175.7	-58.3	-76.2	0	0	0	111.5	Y167 T168	Y165-Y167 VanDerWaalsContact CB-CD1 3.46Å; Y165-Y167 HydrophobicContact CD1-CE1 4.26Å; Y165-Y167 AromaticContact CD2-CE1 3.89Å; Y165-Y167 HydrophobicContact CD2-CE1 3.89Å; Y165-Y167 HydrophobicContact CG-CD1 4.26Å; Y165-Y167 AromaticContact CG-CE1 3.55Å; Y165-Y167 HydrophobicContact CG-CE1 3.55Å; Y165-Y167 PolarHBondContact O-N 2.86Å; Y165-T168 WeakPolarHBondContact O-CB 3.28Å; Y165-T168 PolarHBondContact O-N 3.31Å; Y165-T168 PolarHBondContact O-OG1 2.87Å
166	L	86.4	Confident	84.9	Confident	63 Å²	63	53.4 Å²	53.4	33%	0.33	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.1	-178	-70.3	167.3	0	0	0	113.1	Q156 F157 T168 Y169 W170	Q156-L166 HydrophobicContact CB-CD2 3.81Å; Q156-L166 WeakPolarHBondContact O-CD2 3.25Å; F157-L166 HydrophobicContact CD1-CD1 4.46Å; F157-L166 HydrophobicContact CD1-CD2 4.09Å; F157-L166 HydrophobicContact CE1-CD1 4.3Å; F157-L166 HydrophobicContact CE1-CD2 4.24Å; L166-T168 PolarHBondContact O-N 2.92Å; L166-Y169 PolarHBondContact O-N 3.47Å; L166-W170 PolarHBondContact O-N 3.49Å; L166-W170 VanDerWaalsContact O-N 3.14Å
167	Y	85.9	Confident	84.7	Confident	77 Å²	77	54.3 Å²	54.3	30%	0.302	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-27.1	-179.2	72.4	-99.3	0	0	0	113	Y165 Y169 A171 G950 V954	Y165-Y167 VanDerWaalsContact CB-CD1 3.46Å; Y165-Y167 HydrophobicContact CD1-CE1 4.26Å; Y165-Y167 AromaticContact CD2-CE1 3.89Å; Y165-Y167 HydrophobicContact CD2-CE1 3.89Å; Y165-Y167 HydrophobicContact CG-CD1 4.26Å; Y165-Y167 AromaticContact CG-CE1 3.55Å; Y165-Y167 HydrophobicContact CG-CE1 3.55Å; Y165-Y167 PolarHBondContact O-N 2.86Å; Y167-Y169 PolarHBondContact O-N 3.26Å; Y167-A171 WeakPolarHBondContact O-CB 3.31Å; Y167-A171 PolarHBondContact O-N 2.99Å; Y167-G950 VanDerWaalsContact OH-CA 3.22Å; Y167-G950 WeakPolarHBondContact OH-CA 3.35Å; Y167-V954 HydrophobicContact CD2-CG2 4.49Å; Y167-V954 HydrophobicContact CE2-CG2 4.31Å
168	T	82.9	Confident	84.5	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.049	28%	0.282	C	S	.	.	H	α-helix	trans	-67.4	-20.6	-179.1	61.2	0	0	0	0	113.3	Y165 L166 P172 V954	Y165-T168 WeakPolarHBondContact O-CB 3.28Å; Y165-T168 PolarHBondContact O-N 3.31Å; Y165-T168 PolarHBondContact O-OG1 2.87Å; L166-T168 PolarHBondContact O-N 2.92Å; T168-P172 WeakPolarHBondContact O-CD 3.26Å; T168-P172 WeakPolarHBondContact O-CG 3.34Å; T168-V954 HydrophobicContact CG2-CG2 4.23Å
169	Y	84.6	Confident	84.2	Confident	11 Å²	11	49.5 Å²	49.5	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-105.3	-43.6	178.7	-61.2	-91.8	0	0	0	111.8	V152 S153 Q156 L166 Y167 V401	V152-Y169 HydrophobicContact CG1-CD1 3.95Å; V152-Y169 HydrophobicContact CG1-CE1 4.09Å; S153-Y169 PolarHBondContact OG-O 3.12Å; Q156-Y169 HydrophobicContact CG-CD1 4.3Å; Q156-Y169 HydrophobicContact CG-CD2 3.63Å; Q156-Y169 HydrophobicContact CG-CE1 4.49Å; Q156-Y169 HydrophobicContact CG-CE2 3.86Å; Q156-Y169 HydrophobicContact CG-CG 3.87Å; L166-Y169 PolarHBondContact O-N 3.47Å; Y167-Y169 PolarHBondContact O-N 3.26Å; Y169-V401 HydrophobicContact CE1-CG1 4.17Å
170	W	87.6	Confident	83.8	Confident	87 Å²	87	44.5 Å²	44.5	33%	0.33	24%	0.244	S	C	.	.	H	α-helix	trans	-76.5	-35.3	-177.7	-82.3	97	0	0	0	114.1	L150 S153 F157 L166 L173 G174	L150-W170 HydrophobicContact CD1-CH2 4.05Å; S153-W170 PolarHBondContact O-NE1 3.07Å; S153-W170 VanDerWaalsContact O-NE1 3.16Å; F157-W170 AromaticContact CE2-CE2 3.71Å; F157-W170 AromaticContact CE2-CZ2 3.7Å; F157-W170 HydrophobicContact CE2-CZ2 3.7Å; F157-W170 AromaticContact CE2-NE1 3.37Å; F157-W170 HydrophobicContact CZ-CZ2 4.42Å; F157-W170 AromaticContact CZ-NE1 3.7Å; L166-W170 PolarHBondContact O-N 3.49Å; L166-W170 VanDerWaalsContact O-N 3.14Å; W170-L173 HydrophobicContact CZ3-CD2 4.44Å; W170-L173 PolarHBondContact O-N 3.48Å; W170-G174 PolarHBondContact O-N 3.43Å
171	A	84.3	Confident	83.9	Confident	55 Å²	55	44.6 Å²	44.6	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-46.2	-177.9	0	0	0	0	0	112.5	Y167 L173 G174 F175	Y167-A171 WeakPolarHBondContact O-CB 3.31Å; Y167-A171 PolarHBondContact O-N 2.99Å; A171-L173 PolarHBondContact O-N 3.06Å; A171-G174 PolarHBondContact O-N 2.95Å; A171-F175 WeakPolarHBondContact O-CB 3.42Å; A171-F175 PolarHBondContact O-N 2.62Å
172	P	79.8	Confident	84	Confident	14 Å²	14	47.7 Å²	47.7	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-43.5	174.6	-24.5	35.9	0	0	0	112.8	T168 F175 V176 I409	T168-P172 WeakPolarHBondContact O-CD 3.26Å; T168-P172 WeakPolarHBondContact O-CG 3.34Å; P172-F175 PolarHBondContact O-N 3.2Å; P172-V176 WeakPolarHBondContact O-CG2 3.44Å; P172-V176 PolarHBondContact O-N 3.03Å; P172-I409 HydrophobicContact CB-CD1 4.22Å; P172-I409 HydrophobicContact CB-CG2 4.09Å
173	L	84.2	Confident	83.8	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-44.6	178.3	-179.7	62.6	0	0	0	111.9	F149 L150 W170 A171 V176 L177	F149-L173 HydrophobicContact CB-CD1 4.09Å; L150-L173 HydrophobicContact CD1-CD2 4.39Å; W170-L173 HydrophobicContact CZ3-CD2 4.44Å; W170-L173 PolarHBondContact O-N 3.48Å; A171-L173 PolarHBondContact O-N 3.06Å; L173-V176 PolarHBondContact O-N 2.91Å; L173-L177 HydrophobicContact CD1-CD1 4.2Å; L173-L177 HydrophobicContact CD1-CG 4.36Å; L173-L177 HydrophobicContact CG-CD1 4.12Å; L173-L177 WeakPolarHBondContact O-CG 3.33Å; L173-L177 PolarHBondContact O-N 3.14Å
174	G	87	Confident	83.8	Confident	35 Å²	35	45 Å²	45	36%	0.361	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-42.6	176.4	0	0	0	0	0	112.2	W170 A171 L177 A178	W170-G174 PolarHBondContact O-N 3.43Å; A171-G174 PolarHBondContact O-N 2.95Å; G174-L177 PolarHBondContact O-N 3.46Å; G174-A178 VanDerWaalsContact O-CB 3.27Å; G174-A178 WeakPolarHBondContact O-CB 3.28Å; G174-A178 PolarHBondContact O-N 3.47Å
175	F	83.3	Confident	84.2	Confident	122 Å²	122	45.8 Å²	45.8	54%	0.535	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-47	175.2	177.6	-102	0	0	0	112.1	A171 P172 L177 A178 V179	A171-F175 WeakPolarHBondContact O-CB 3.42Å; A171-F175 PolarHBondContact O-N 2.62Å; P172-F175 PolarHBondContact O-N 3.2Å; F175-L177 PolarHBondContact O-N 2.84Å; F175-A178 PolarHBondContact O-N 2.8Å; F175-V179 HydrophobicContact CD2-CG2 4.46Å; F175-V179 HydrophobicContact CE1-CG2 4.1Å; F175-V179 HydrophobicContact CE2-CG2 4.04Å; F175-V179 HydrophobicContact CZ-CG2 3.85Å; F175-V179 WeakPolarHBondContact O-CG2 3.35Å; F175-V179 PolarHBondContact O-N 2.91Å
176	V	79.8	Confident	84.1	Confident	8 Å²	8	43.7 Å²	43.7	5%	0.048	25%	0.246	C	C	.	.	H	α-helix	trans	-55.5	-52.4	176.6	172.1	0	0	0	0	110.6	P172 L173 A178 V179 T180 I409 V413	P172-V176 WeakPolarHBondContact O-CG2 3.44Å; P172-V176 PolarHBondContact O-N 3.03Å; L173-V176 PolarHBondContact O-N 2.91Å; V176-A178 VanDerWaalsContact C-N 3.33Å; V176-A178 PolarHBondContact O-N 2.87Å; V176-V179 PolarHBondContact O-N 2.87Å; V176-T180 PolarHBondContact O-N 2.97Å; V176-T180 VanDerWaalsContact O-N 3.15Å; V176-T180 PolarHBondContact O-OG1 2.76Å; V176-T180 VanDerWaalsContact O-OG1 3.1Å; V176-I409 HydrophobicContact CG2-CG2 3.85Å; V176-V413 HydrophobicContact CB-CG2 3.6Å; V176-V413 HydrophobicContact CG1-CG2 3.48Å; V176-V413 VanDerWaalsContact CG1-CG2 3.48Å; V176-V413 HydrophobicContact CG2-CG2 3.27Å
177	L	84.9	Confident	83.7	Confident	21 Å²	21	42 Å²	42	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-38.6	-178.7	-67.7	172.4	0	0	0	111.6	Q140 F141 L173 G174 F175 T180 M181	Q140-L177 HydrophobicContact CB-CD2 4.14Å; Q140-L177 HydrophobicContact CG-CD2 4.35Å; F141-L177 HydrophobicContact CZ-CD1 3.82Å; F141-L177 HydrophobicContact CZ-CD2 4.27Å; L173-L177 HydrophobicContact CD1-CD1 4.2Å; L173-L177 HydrophobicContact CD1-CG 4.36Å; L173-L177 HydrophobicContact CG-CD1 4.12Å; L173-L177 WeakPolarHBondContact O-CG 3.33Å; L173-L177 PolarHBondContact O-N 3.14Å; G174-L177 PolarHBondContact O-N 3.46Å; F175-L177 PolarHBondContact O-N 2.84Å; L177-T180 PolarHBondContact O-N 3.01Å; L177-M181 HydrophobicContact CB-CE 4.19Å; L177-M181 WeakPolarHBondContact O-CB 3.45Å; L177-M181 WeakPolarHBondContact O-CE 3.38Å; L177-M181 VanDerWaalsContact O-CG 3.26Å; L177-M181 WeakPolarHBondContact O-CG 3.46Å; L177-M181 PolarHBondContact O-N 3.28Å
178	A	86.9	Confident	83.6	Confident	43 Å²	43	38.9 Å²	38.9	36%	0.355	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-47.4	177.7	0	0	0	0	0	112	G174 F175 V176 T180 M181 V182	G174-A178 VanDerWaalsContact O-CB 3.27Å; G174-A178 WeakPolarHBondContact O-CB 3.28Å; G174-A178 PolarHBondContact O-N 3.47Å; F175-A178 PolarHBondContact O-N 2.8Å; V176-A178 VanDerWaalsContact C-N 3.33Å; V176-A178 PolarHBondContact O-N 2.87Å; A178-T180 VanDerWaalsContact C-N 3.32Å; A178-T180 PolarHBondContact O-N 2.88Å; A178-M181 PolarHBondContact O-N 2.99Å; A178-V182 WeakPolarHBondContact O-CG2 3.21Å; A178-V182 PolarHBondContact O-N 3.12Å
179	V	82.3	Confident	83.7	Confident	50 Å²	50	42.3 Å²	42.3	30%	0.303	25%	0.246	S	C	.	.	H	α-helix	trans	-59.2	-44.8	177.2	172.5	0	0	0	0	110.8	F175 V176 V182 R183	F175-V179 HydrophobicContact CD2-CG2 4.46Å; F175-V179 HydrophobicContact CE1-CG2 4.1Å; F175-V179 HydrophobicContact CE2-CG2 4.04Å; F175-V179 HydrophobicContact CZ-CG2 3.85Å; F175-V179 WeakPolarHBondContact O-CG2 3.35Å; F175-V179 PolarHBondContact O-N 2.91Å; V176-V179 PolarHBondContact O-N 2.87Å; V179-V182 PolarHBondContact O-N 2.9Å; V179-R183 WeakPolarHBondContact O-CB 3.04Å; V179-R183 PolarHBondContact O-N 2.87Å; V179-R183 VanDerWaalsContact O-N 3.09Å
180	T	79.6	Confident	83.5	Confident	12 Å²	12	48.7 Å²	48.7	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-67.5	-38.9	178.9	-50.2	0	0	0	0	112.6	Q140 V176 L177 A178 R183 E184	Q140-T180 VanDerWaalsContact CD-CG2 3.49Å; Q140-T180 HydrophobicContact CG-CG2 4.24Å; V176-T180 PolarHBondContact O-N 2.97Å; V176-T180 VanDerWaalsContact O-N 3.15Å; V176-T180 PolarHBondContact O-OG1 2.76Å; V176-T180 VanDerWaalsContact O-OG1 3.1Å; L177-T180 PolarHBondContact O-N 3.01Å; A178-T180 VanDerWaalsContact C-N 3.32Å; A178-T180 PolarHBondContact O-N 2.88Å; T180-R183 PolarHBondContact O-N 2.9Å; T180-E184 PolarHBondContact O-N 3.5Å
181	M	86.1	Confident	83.2	Confident	55 Å²	55	46.8 Å²	46.8	27%	0.271	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-43.6	176.4	-76.7	-173.8	-68.8	0	0	112.1	V136 L137 L177 A178 R183 E184 A185	V136-M181 HydrophobicContact CG1-CG 3.97Å; L137-M181 HydrophobicContact CD2-SD 4.39Å; L177-M181 HydrophobicContact CB-CE 4.19Å; L177-M181 WeakPolarHBondContact O-CB 3.45Å; L177-M181 WeakPolarHBondContact O-CE 3.38Å; L177-M181 VanDerWaalsContact O-CG 3.26Å; L177-M181 WeakPolarHBondContact O-CG 3.46Å; L177-M181 PolarHBondContact O-N 3.28Å; A178-M181 PolarHBondContact O-N 2.99Å; M181-R183 VanDerWaalsContact C-N 3.32Å; M181-R183 PolarHBondContact O-N 2.82Å; M181-E184 PolarHBondContact O-N 2.9Å; M181-A185 VanDerWaalsContact O-CB 3.28Å; M181-A185 WeakPolarHBondContact O-CB 3.26Å; M181-A185 PolarHBondContact O-N 3.36Å
182	V	86.8	Confident	83.2	Confident	96 Å²	96	48.4 Å²	48.4	58%	0.582	26%	0.261	S	S	*	.	H	α-helix	trans	-61.1	-44.3	176.7	170.2	0	0	0	0	110.5	A178 V179 A185 V186	A178-V182 WeakPolarHBondContact O-CG2 3.21Å; A178-V182 PolarHBondContact O-N 3.12Å; V179-V182 PolarHBondContact O-N 2.9Å; V182-A185 WeakPolarHBondContact O-CB 3.39Å; V182-A185 PolarHBondContact O-N 3.46Å; V182-V186 WeakPolarHBondContact O-CG2 3.42Å; V182-V186 PolarHBondContact O-N 3.3Å
183	R	81.2	Confident	83.5	Confident	40 Å²	40	53.4 Å²	53.4	15%	0.151	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-52.8	176.6	178.8	-173.3	169.6	-177.3	4.5	112.4	V179 T180 M181 A185 V186 D187 D416 S440 T441	V179-R183 WeakPolarHBondContact O-CB 3.04Å; V179-R183 PolarHBondContact O-N 2.87Å; V179-R183 VanDerWaalsContact O-N 3.09Å; T180-R183 PolarHBondContact O-N 2.9Å; M181-R183 VanDerWaalsContact C-N 3.32Å; M181-R183 PolarHBondContact O-N 2.82Å; R183-A185 PolarHBondContact O-N 3.12Å; R183-V186 PolarHBondContact O-N 3.08Å; R183-D187 PolarHBondContact O-N 3.07Å; R183-D187 VanDerWaalsContact O-N 3.13Å; R183-D416 IonicContact NH1-OD1 3.55Å; R183-S440 PolarHBondContact NE-OG 3.32Å; R183-S440 PolarHBondContact NH2-O 2.92Å; R183-S440 PolarHBondContact NH2-OG 3.49Å; R183-T441 VanDerWaalsContact NH2-CG2 3.25Å
184	E	82.1	Confident	83.2	Confident	22 Å²	22	57.2 Å²	57.2	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-33.2	-179.9	-167.4	76.1	-167.2	0	0	111.1	K126 Y127 F132 V136 T180 M181 D187 E188	K126-E184 IonicContact NZ-OE1 2.63Å; K126-E184 PolarHBondContact NZ-OE1 2.92Å; K126-E184 VanDerWaalsContact NZ-OE1 3.07Å; Y127-E184 HydrophobicContact CE2-CG 4.01Å; F132-E184 HydrophobicContact CE2-CB 4.22Å; F132-E184 HydrophobicContact CE2-CG 4.06Å; F132-E184 HydrophobicContact CZ-CB 4.32Å; V136-E184 HydrophobicContact CG2-CB 4.39Å; V136-E184 HydrophobicContact CG2-CG 3.91Å; T180-E184 PolarHBondContact O-N 3.5Å; M181-E184 PolarHBondContact O-N 2.9Å; E184-D187 PolarHBondContact O-N 3.28Å; E184-E188 WeakPolarHBondContact O-CB 3.33Å; E184-E188 PolarHBondContact O-N 3.1Å
185	A	86.6	Confident	83.1	Confident	34 Å²	34	56 Å²	56	28%	0.281	28%	0.283	S	S	.	.	H	α-helix	trans	-63.5	-44.5	174.9	0	0	0	0	0	111.7	F132 M181 V182 R183 D187 E188 V189	F132-A185 HydrophobicContact CE1-CB 4.21Å; F132-A185 HydrophobicContact CE2-CB 4.29Å; F132-A185 HydrophobicContact CZ-CB 3.64Å; M181-A185 VanDerWaalsContact O-CB 3.28Å; M181-A185 WeakPolarHBondContact O-CB 3.26Å; M181-A185 PolarHBondContact O-N 3.36Å; V182-A185 WeakPolarHBondContact O-CB 3.39Å; V182-A185 PolarHBondContact O-N 3.46Å; R183-A185 PolarHBondContact O-N 3.12Å; A185-D187 VanDerWaalsContact C-N 3.34Å; A185-D187 PolarHBondContact O-N 3.21Å; A185-E188 PolarHBondContact O-N 3.42Å; A185-V189 VanDerWaalsContact O-CG2 3.29Å; A185-V189 WeakPolarHBondContact O-CG2 3.29Å; A185-V189 PolarHBondContact O-N 3.25Å
186	V	84	Confident	83.3	Confident	63 Å²	63	56.9 Å²	56.9	38%	0.382	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-45.1	176.3	170.2	0	0	0	0	110.9	V182 R183 E188 V189 R190	V182-V186 WeakPolarHBondContact O-CG2 3.42Å; V182-V186 PolarHBondContact O-N 3.3Å; R183-V186 PolarHBondContact O-N 3.08Å; V186-E188 VanDerWaalsContact C-N 3.33Å; V186-E188 PolarHBondContact O-N 2.92Å; V186-V189 PolarHBondContact O-N 2.84Å; V186-R190 WeakPolarHBondContact O-CG 3.45Å; V186-R190 PolarHBondContact O-N 3.27Å
187	D	77.5	Confident	83.6	Confident	29 Å²	29	62.8 Å²	62.8	16%	0.155	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-37.5	179.1	-73.4	-18.3	0	0	0	112.1	R183 E184 A185 R190 R191	R183-D187 PolarHBondContact O-N 3.07Å; R183-D187 VanDerWaalsContact O-N 3.13Å; E184-D187 PolarHBondContact O-N 3.28Å; A185-D187 VanDerWaalsContact C-N 3.34Å; A185-D187 PolarHBondContact O-N 3.21Å; D187-R190 IonicContact OD1-NH1 3.11Å; D187-R191 WeakPolarHBondContact O-CG 3.37Å; D187-R191 PolarHBondContact O-N 2.94Å
188	E	83.7	Confident	83.4	Confident	11 Å²	11	65 Å²	65	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-73.4	-36	178.3	-161.5	67.6	-179.2	0	0	112.8	Q125 K126 Y127 E184 A185 V186 R191 H192	Q125-E188 WeakPolarHBondContact CA-OE1 3.32Å; Q125-E188 WeakPolarHBondContact CB-OE1 3.05Å; K126-E188 PolarHBondContact N-OE1 2.98Å; Y127-E188 PolarHBondContact N-OE1 3.04Å; E184-E188 WeakPolarHBondContact O-CB 3.33Å; E184-E188 PolarHBondContact O-N 3.1Å; A185-E188 PolarHBondContact O-N 3.42Å; V186-E188 VanDerWaalsContact C-N 3.33Å; V186-E188 PolarHBondContact O-N 2.92Å; E188-R191 PolarHBondContact O-N 3.49Å; E188-R191 IonicContact OE2-NH1 3.95Å; E188-R191 PolarHBondContact OE2-NH1 2.75Å; E188-H192 PolarHBondContact O-N 2.91Å
189	V	85.8	Confident	83.5	Confident	79 Å²	79	64.5 Å²	64.5	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-44.2	173.2	168.9	0	0	0	0	110.7	A185 V186 R191 H192 Q193	A185-V189 VanDerWaalsContact O-CG2 3.29Å; A185-V189 WeakPolarHBondContact O-CG2 3.29Å; A185-V189 PolarHBondContact O-N 3.25Å; V186-V189 PolarHBondContact O-N 2.84Å; V189-R191 VanDerWaalsContact C-N 3.28Å; V189-R191 PolarHBondContact O-N 2.96Å; V189-H192 WeakPolarHBondContact O-CB 3.4Å; V189-H192 PolarHBondContact O-N 3.14Å; V189-H192 VanDerWaalsContact O-N 3.16Å; V189-Q193 WeakPolarHBondContact O-CG 3.08Å; V189-Q193 PolarHBondContact O-N 2.84Å
190	R	80.9	Confident	83.9	Confident	146 Å²	146	64.8 Å²	64.8	55%	0.551	32%	0.32	S	S	*	.	H	α-helix	trans	-60.1	-37.4	175.7	-72.6	172.6	178.5	170.2	-3.4	112.1	V186 D187 R194	V186-R190 WeakPolarHBondContact O-CG 3.45Å; V186-R190 PolarHBondContact O-N 3.27Å; D187-R190 IonicContact OD1-NH1 3.11Å; R190-R194 WeakPolarHBondContact O-CG 3.4Å; R190-R194 PolarHBondContact O-N 2.87Å
191	R	79.4	Confident	84.3	Confident	46 Å²	46	67.4 Å²	67.4	17%	0.174	33%	0.331	C	S	.	.	H	α-helix	trans	-68.5	-41.7	173.9	-73.1	168.5	-179.4	-174.4	-5.7	112.6	K126 D187 E188 V189 Q193 R194 D195	K126-R191 VanDerWaalsContact CG-NH1 3.26Å; D187-R191 WeakPolarHBondContact O-CG 3.37Å; D187-R191 PolarHBondContact O-N 2.94Å; E188-R191 PolarHBondContact O-N 3.49Å; E188-R191 IonicContact OE2-NH1 3.95Å; E188-R191 PolarHBondContact OE2-NH1 2.75Å; V189-R191 VanDerWaalsContact C-N 3.28Å; V189-R191 PolarHBondContact O-N 2.96Å; R191-Q193 VanDerWaalsContact C-N 3.3Å; R191-Q193 PolarHBondContact O-N 3.12Å; R191-R194 PolarHBondContact O-N 2.87Å; R191-D195 PolarHBondContact O-N 2.91Å
192	H	84.5	Confident	84.6	Confident	90 Å²	90	69.6 Å²	69.6	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-59.3	-42.8	176.5	-172.7	55.2	0	0	0	112.3	Q125 E188 V189 R194 D195 K196	Q125-H192 VanDerWaalsContact NE2-CB 3.27Å; Q125-H192 VanDerWaalsContact NE2-CG 3.32Å; Q125-H192 PolarHBondContact NE2-ND1 3.46Å; E188-H192 PolarHBondContact O-N 2.91Å; V189-H192 WeakPolarHBondContact O-CB 3.4Å; V189-H192 PolarHBondContact O-N 3.14Å; V189-H192 VanDerWaalsContact O-N 3.16Å; H192-R194 PolarHBondContact O-N 3.05Å; H192-D195 PolarHBondContact O-N 3.36Å; H192-K196 VanDerWaalsContact O-CB 3.29Å; H192-K196 WeakPolarHBondContact O-CB 3.37Å; H192-K196 PolarHBondContact O-N 3.15Å
193	Q	86.3	Confident	84.9	Confident	119 Å²	119	65.3 Å²	65.3	56%	0.556	32%	0.316	S	S	*	.	H	α-helix	trans	-60.2	-44.8	178.3	-72.5	171.3	-5.7	0	0	111.4	V189 R191 K196 E197	V189-Q193 WeakPolarHBondContact O-CG 3.08Å; V189-Q193 PolarHBondContact O-N 2.84Å; R191-Q193 VanDerWaalsContact C-N 3.3Å; R191-Q193 PolarHBondContact O-N 3.12Å; Q193-K196 WeakPolarHBondContact O-CB 3.46Å; Q193-K196 PolarHBondContact O-N 2.67Å; Q193-E197 PolarHBondContact O-N 3.21Å
194	R	79.5	Confident	85.5	Confident	80 Å²	80	63.7 Å²	63.7	30%	0.302	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-44.7	176.2	-67.5	-172.3	-66.9	169.1	2.8	113	R190 R191 H192 K196 E197 M198 L888	R190-R194 WeakPolarHBondContact O-CG 3.4Å; R190-R194 PolarHBondContact O-N 2.87Å; R191-R194 PolarHBondContact O-N 2.87Å; H192-R194 PolarHBondContact O-N 3.05Å; R194-K196 VanDerWaalsContact C-N 3.27Å; R194-K196 PolarHBondContact O-N 2.99Å; R194-E197 PolarHBondContact O-N 3.42Å; R194-M198 PolarHBondContact O-N 3.43Å; R194-M198 VanDerWaalsContact O-N 3.13Å; R194-L888 PolarHBondContact NH1-O 2.83Å; R194-L888 VanDerWaalsContact NH1-O 3.15Å
195	D	83.6	Confident	86	Confident	10 Å²	10	65 Å²	65	5%	0.053	32%	0.317	C	S	.	.	H	α-helix	trans	-62.5	-38.7	176.3	-73.6	-10	0	0	0	110.6	N124 Q125 R191 H192 N199	N124-D195 WeakPolarHBondContact CB-OD1 3.14Å; N124-D195 PolarHBondContact N-OD2 2.9Å; N124-D195 PolarHBondContact ND2-OD1 3.15Å; Q125-D195 PolarHBondContact N-OD2 3.05Å; R191-D195 PolarHBondContact O-N 2.91Å; H192-D195 PolarHBondContact O-N 3.36Å; D195-N199 VanDerWaalsContact O-CB 3.24Å; D195-N199 WeakPolarHBondContact O-CB 3.4Å; D195-N199 PolarHBondContact O-N 3.29Å; D195-N199 PolarHBondContact O-ND2 2.83Å
196	K	87.7	Confident	86.1	Confident	141 Å²	141	64.1 Å²	64.1	61%	0.613	31%	0.307	S	S	*	.	H	α-helix	trans	-64.4	-43.5	177.1	-174.7	179.8	179.2	-176.2	0	111.5	H192 Q193 R194 N199 S200	H192-K196 VanDerWaalsContact O-CB 3.29Å; H192-K196 WeakPolarHBondContact O-CB 3.37Å; H192-K196 PolarHBondContact O-N 3.15Å; Q193-K196 WeakPolarHBondContact O-CB 3.46Å; Q193-K196 PolarHBondContact O-N 2.67Å; R194-K196 VanDerWaalsContact C-N 3.27Å; R194-K196 PolarHBondContact O-N 2.99Å; K196-N199 PolarHBondContact O-N 2.87Å; K196-S200 WeakPolarHBondContact O-CB 3.46Å; K196-S200 PolarHBondContact O-N 3.45Å; K196-S200 PolarHBondContact O-OG 3.44Å
197	E	85.7	Confident	86.2	Confident	132 Å²	132	63 Å²	63	62%	0.617	30%	0.301	S	S	*	.	H	α-helix	trans	-57.3	-53.1	177	-173.3	178.9	-178.4	0	0	111	Q193 R194 N199 S200 Q201	Q193-E197 PolarHBondContact O-N 3.21Å; R194-E197 PolarHBondContact O-N 3.42Å; E197-N199 PolarHBondContact O-N 3.47Å; E197-S200 PolarHBondContact O-N 2.84Å; E197-S200 PolarHBondContact O-OG 2.9Å; E197-Q201 PolarHBondContact O-N 3.26Å
198	M	80.4	Confident	86.3	Confident	67 Å²	67	67.3 Å²	67.3	33%	0.33	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-43.9	178.6	-65.7	-61.7	-72	0	0	112.5	R194 S200 Q201	R194-M198 PolarHBondContact O-N 3.43Å; R194-M198 VanDerWaalsContact O-N 3.13Å; M198-S200 PolarHBondContact O-N 3.43Å; M198-Q201 PolarHBondContact O-N 3.05Å
199	N	88.9	Confident	86	Confident	32 Å²	32	78.7 Å²	78.7	17%	0.171	37%	0.37	C	S	.	.	H	α-helix	trans	-68.6	-23.1	179.5	-72.3	-36.6	0	0	0	113.2	G121 I122 D195 K196 E197 S217	G121-N199 WeakPolarHBondContact CA-OD1 3.26Å; I122-N199 PolarHBondContact N-OD1 3.04Å; I122-N199 PolarHBondContact O-ND2 3.42Å; D195-N199 VanDerWaalsContact O-CB 3.24Å; D195-N199 WeakPolarHBondContact O-CB 3.4Å; D195-N199 PolarHBondContact O-N 3.29Å; D195-N199 PolarHBondContact O-ND2 2.83Å; K196-N199 PolarHBondContact O-N 2.87Å; E197-N199 PolarHBondContact O-N 3.47Å; N199-S217 PolarHBondContact O-N 2.82Å
200	S	90.8	Very high	85.9	Confident	57 Å²	57	76.4 Å²	76.4	40%	0.399	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.6	-178.9	68.1	0	0	0	0	114.8	K196 E197 M198 L202	K196-S200 WeakPolarHBondContact O-CB 3.46Å; K196-S200 PolarHBondContact O-N 3.45Å; K196-S200 PolarHBondContact O-OG 3.44Å; E197-S200 PolarHBondContact O-N 2.84Å; E197-S200 PolarHBondContact O-OG 2.9Å; M198-S200 PolarHBondContact O-N 3.43Å; S200-L202 PolarHBondContact O-N 2.98Å
201	Q	89.3	Confident	86.3	Confident	66 Å²	66	76.5 Å²	76.5	31%	0.308	37%	0.367	S	S	.	.			trans	-57.2	137.5	175.5	-70.6	-176.4	-7.6	0	0	111	E197 M198 Y203 K215 S216	E197-Q201 PolarHBondContact O-N 3.26Å; M198-Q201 PolarHBondContact O-N 3.05Å; Q201-Y203 HydrophobicContact CB-CE2 3.94Å; Q201-Y203 PolarHBondContact OE1-OH 3.38Å; Q201-K215 CarbonylContact O-C 3.53Å; Q201-K215 WeakPolarHBondContact O-CA 3.49Å; Q201-S216 PolarHBondContact O-N 2.82Å
202	L	92.4	Very high	86.9	Confident	102 Å²	102	77.7 Å²	77.7	53%	0.534	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	139.6	-175.9	-63.8	173.6	0	0	0	111.1	S200 K215 Q231	S200-L202 PolarHBondContact O-N 2.98Å; L202-K215 HydrophobicContact CD2-CG 4.05Å; L202-Q231 PolarHBondContact O-NE2 3.38Å
203	Y	93.3	Very high	87.3	Confident	5 Å²	5	78.9 Å²	78.9	2%	0.02	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.3	179.4	-72.6	-81.5	0	0	0	110.6	Q201 K205 Q213 V214 I219 Q231 R232 P234	Q201-Y203 HydrophobicContact CB-CE2 3.94Å; Q201-Y203 PolarHBondContact OE1-OH 3.38Å; Y203-K205 PolarHBondContact O-N 3.46Å; Y203-Q213 PolarHBondContact O-OE1 3.4Å; Y203-V214 PolarHBondContact N-O 3.23Å; Y203-V214 PolarHBondContact O-N 3.17Å; Y203-I219 HydrophobicContact CD2-CD1 4.02Å; Y203-I219 HydrophobicContact CG-CD1 4.14Å; Y203-Q231 HydrophobicContact CE1-CG 3.98Å; Y203-R232 WeakPolarHBondContact CE1-O 3.32Å; Y203-R232 PolarHBondContact OH-O 3.13Å; Y203-P234 HydrophobicContact CD1-CB 4.13Å; Y203-P234 HydrophobicContact CD1-CG 3.83Å; Y203-P234 HydrophobicContact CD2-CB 3.99Å; Y203-P234 HydrophobicContact CD2-CG 4.43Å; Y203-P234 HydrophobicContact CE1-CB 3.88Å; Y203-P234 HydrophobicContact CE1-CG 3.89Å; Y203-P234 HydrophobicContact CE2-CB 3.72Å; Y203-P234 HydrophobicContact CE2-CG 4.47Å; Y203-P234 HydrophobicContact CG-CB 4.19Å; Y203-P234 HydrophobicContact CG-CG 4.12Å
204	S	93.4	Very high	87.6	Confident	7 Å²	7	74.4 Å²	74.4	5%	0.049	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	109.2	178.2	-66.9	0	0	0	0	110.1	Q213 I226	S204-Q213 PolarHBondContact OG-NE2 3.22Å; S204-I226 PolarHBondContact O-N 2.9Å
205	K	91.6	Very high	88.3	Confident	49 Å²	49	75.8 Å²	75.8	21%	0.213	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.4	171.3	-178.9	175.8	179.4	163.6	0	110.1	Y203 T207 V212 V214 D223 L224 I225	Y203-K205 PolarHBondContact O-N 3.46Å; K205-T207 HydrophobicContact CG-CG2 4.28Å; K205-V212 PolarHBondContact N-O 3.14Å; K205-V212 PolarHBondContact O-N 3.46Å; K205-V214 HydrophobicContact CB-CB 4.35Å; K205-V214 HydrophobicContact CB-CG2 3.63Å; K205-V214 HydrophobicContact CD-CG2 3.92Å; K205-V214 HydrophobicContact CG-CG2 4.42Å; K205-D223 WeakPolarHBondContact CE-OD1 3.34Å; K205-D223 WeakPolarHBondContact CE-OD2 3.42Å; K205-D223 IonicContact NZ-OD1 3.56Å; K205-D223 PolarHBondContact NZ-OD1 3.48Å; K205-D223 IonicContact NZ-OD2 3.66Å; K205-D223 PolarHBondContact NZ-OD2 3.03Å; K205-L224 WeakPolarHBondContact CA-O 3.45Å; K205-I225 HydrophobicContact CB-CD1 4.06Å; K205-I225 HydrophobicContact CG-CD1 4.25Å
206	L	89	Confident	88.7	Confident	15 Å²	15	75.9 Å²	75.9	8%	0.079	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	129.9	172.2	-172.5	72.2	0	0	0	109.2	K211 L224 I226 V277 F281	L206-K211 HydrophobicContact CD1-CG 4.46Å; L206-L224 HydrophobicContact CB-CB 3.99Å; L206-L224 HydrophobicContact CD2-CD1 4.2Å; L206-L224 PolarHBondContact N-O 3.15Å; L206-I226 HydrophobicContact CB-CD1 4.24Å; L206-I226 HydrophobicContact CB-CG1 4.26Å; L206-I226 HydrophobicContact CD1-CD1 4.11Å; L206-V277 HydrophobicContact CD1-CG1 4.08Å; L206-V277 HydrophobicContact CD2-CG1 3.69Å; L206-F281 HydrophobicContact CB-CZ 4.31Å; L206-F281 HydrophobicContact CD2-CE2 3.62Å; L206-F281 HydrophobicContact CD2-CZ 3.96Å; L206-F281 HydrophobicContact CG-CE2 3.6Å; L206-F281 HydrophobicContact CG-CZ 3.77Å; L206-F281 WeakPolarHBondContact O-CZ 3.34Å
207	T	85.6	Confident	88.9	Confident	40 Å²	40	70.7 Å²	70.7	25%	0.245	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	165.1	174.7	72.1	0	0	0	0	110.2	K205 R209 G210 V212	K205-T207 HydrophobicContact CG-CG2 4.28Å; T207-R209 PolarHBondContact O-N 3.19Å; T207-R209 VanDerWaalsContact O-N 3.09Å; T207-R209 PolarHBondContact OG1-N 3.37Å; T207-G210 WeakPolarHBondContact CA-O 3.46Å; T207-G210 PolarHBondContact N-O 3.01Å; T207-G210 PolarHBondContact O-N 3.18Å; T207-G210 PolarHBondContact OG1-N 2.82Å; T207-G210 PolarHBondContact OG1-O 3.27Å; T207-V212 HydrophobicContact CG2-CB 4.38Å; T207-V212 HydrophobicContact CG2-CG2 3.99Å
208	V	80.3	Confident	89.2	Confident	120 Å²	120	68.5 Å²	68.5	73%	0.727	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.6	175.8	-173.9	0	0	0	0	112.2	F281	V208-F281 HydrophobicContact CG2-CB 4.33Å; V208-F281 HydrophobicContact CG2-CD1 3.93Å; V208-F281 HydrophobicContact CG2-CE1 4.37Å; V208-F281 HydrophobicContact CG2-CG 4.01Å
209	R	78.6	Confident	89.7	Confident	250 Å²	250	65.4 Å²	65.4	94%	0.943	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	4.3	179.3	-61.5	-175.7	-179.1	-172.2	0	113.8	T207	T207-R209 PolarHBondContact O-N 3.19Å; T207-R209 VanDerWaalsContact O-N 3.09Å; T207-R209 PolarHBondContact OG1-N 3.37Å
210	G	83.7	Confident	89.8	Confident	31 Å²	31	69.8 Å²	69.8	32%	0.32	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	117	-163.3	-178.6	0	0	0	0	0	114.1	T207	T207-G210 WeakPolarHBondContact CA-O 3.46Å; T207-G210 PolarHBondContact N-O 3.01Å; T207-G210 PolarHBondContact O-N 3.18Å; T207-G210 PolarHBondContact OG1-N 2.82Å; T207-G210 PolarHBondContact OG1-O 3.27Å
211	K	87.8	Confident	89.7	Confident	147 Å²	147	67.6 Å²	67.6	64%	0.639	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.7	-178.8	-59.2	-176.8	-176.6	-179	0	110.7	L206 I226	L206-K211 HydrophobicContact CD1-CG 4.46Å; K211-I226 HydrophobicContact CD-CD1 3.8Å; K211-I226 HydrophobicContact CG-CD1 3.83Å
212	V	91.9	Very high	89.7	Confident	72 Å²	72	64.6 Å²	64.6	44%	0.436	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.3	178	179.5	0	0	0	0	109.6	K205 T207 V214	K205-V212 PolarHBondContact N-O 3.14Å; K205-V212 PolarHBondContact O-N 3.46Å; T207-V212 HydrophobicContact CG2-CB 4.38Å; T207-V212 HydrophobicContact CG2-CG2 3.99Å; V212-V214 HydrophobicContact CG1-CG2 4.38Å
213	Q	93.1	Very high	89.6	Confident	114 Å²	114	60 Å²	60	53%	0.533	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.9	174.8	-69.3	-65	-18.4	0	0	110.9	Y203 S204	Y203-Q213 PolarHBondContact O-OE1 3.4Å; S204-Q213 PolarHBondContact OG-NE2 3.22Å
214	V	93.4	Very high	89.5	Confident	26 Å²	26	60 Å²	60	16%	0.158	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146	-178.3	-177.2	0	0	0	0	109.4	Y203 K205 V212 D218	Y203-V214 PolarHBondContact N-O 3.23Å; Y203-V214 PolarHBondContact O-N 3.17Å; K205-V214 HydrophobicContact CB-CB 4.35Å; K205-V214 HydrophobicContact CB-CG2 3.63Å; K205-V214 HydrophobicContact CD-CG2 3.92Å; K205-V214 HydrophobicContact CG-CG2 4.42Å; V212-V214 HydrophobicContact CG1-CG2 4.38Å; V214-D218 HydrophobicContact CG1-CB 3.73Å
215	K	93.5	Very high	89.5	Confident	108 Å²	108	59.6 Å²	59.6	47%	0.47	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	149.6	175.4	-65.2	173.5	-177.1	169	0	110.7	Q201 L202 S217 D218	Q201-K215 CarbonylContact O-C 3.53Å; Q201-K215 WeakPolarHBondContact O-CA 3.49Å; L202-K215 HydrophobicContact CD2-CG 4.05Å; K215-S217 PolarHBondContact O-N 2.99Å; K215-S217 VanDerWaalsContact O-N 3.12Å; K215-D218 PolarHBondContact O-N 2.85Å
216	S	91.6	Very high	89.6	Confident	13 Å²	13	57.7 Å²	57.7	9%	0.091	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-51.2	-40.2	177	-167.6	0	0	0	0	112.6	N120 Q201 D218	N120-S216 WeakPolarHBondContact CB-O 3.45Å; N120-S216 PolarHBondContact ND2-O 3.14Å; Q201-S216 PolarHBondContact O-N 2.82Å; S216-D218 PolarHBondContact O-N 2.92Å
217	S	92	Very high	89.8	Confident	31 Å²	31	57 Å²	57	22%	0.217	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-66.4	-23.2	179.7	61.4	0	0	0	0	115.2	N120 N199 K215	N120-S217 WeakPolarHBondContact O-CA 3.47Å; N199-S217 PolarHBondContact O-N 2.82Å; K215-S217 PolarHBondContact O-N 2.99Å; K215-S217 VanDerWaalsContact O-N 3.12Å
218	D	91.9	Very high	90.1	Very high	87 Å²	87	59.9 Å²	59.9	47%	0.465	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-97.1	-5.1	-170.5	-59.9	-17.5	0	0	0	112	V214 K215 S216	V214-D218 HydrophobicContact CG1-CB 3.73Å; K215-D218 PolarHBondContact O-N 2.85Å; S216-D218 PolarHBondContact O-N 2.92Å
219	I	91.4	Very high	90.5	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	28%	0.281	C	S	.	.			trans	-66.2	134.6	175.2	-63.2	171.7	0	0	0	110.5	N120 Y203 I225 P234 V337	N120-I219 HydrophobicContact CB-CB 4.3Å; N120-I219 WeakPolarHBondContact CB-O 3.26Å; Y203-I219 HydrophobicContact CD2-CD1 4.02Å; Y203-I219 HydrophobicContact CG-CD1 4.14Å; I219-I225 HydrophobicContact CD1-CD1 4.35Å; I219-I225 HydrophobicContact CG1-CD1 4.21Å; I219-I225 HydrophobicContact CG2-CD1 4.29Å; I219-I225 HydrophobicContact CG2-CG1 4.31Å; I219-P234 HydrophobicContact CD1-CB 3.54Å; I219-P234 HydrophobicContact CD1-CG 3.66Å; I219-V337 HydrophobicContact CG2-CG1 4.35Å; I219-V337 HydrophobicContact CG2-CG2 3.82Å
220	Q	90.6	Very high	90.9	Very high	125 Å²	125	51.1 Å²	51.1	58%	0.584	26%	0.261	S	S	*	.			trans	-123.3	160.3	-179	-59.9	-178	11.1	0	0	112	G222 D223	Q220-G222 PolarHBondContact O-N 3.46Å; Q220-D223 PolarHBondContact N-OD2 3.21Å; Q220-D223 VanDerWaalsContact N-OD2 3.08Å; Q220-D223 VanDerWaalsContact O-CB 3.27Å; Q220-D223 WeakPolarHBondContact O-CB 3.22Å; Q220-D223 PolarHBondContact O-N 3.5Å; Q220-D223 VanDerWaalsContact O-N 3.17Å
221	V	90.2	Very high	91.1	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	133.4	174	177.2	0	0	0	0	109.5	V105 F117 T340	V105-V221 HydrophobicContact CG1-CG1 4.07Å; V105-V221 HydrophobicContact CG2-CG1 3.67Å; F117-V221 HydrophobicContact CB-CB 4.42Å; F117-V221 HydrophobicContact CB-CG2 3.74Å; F117-V221 HydrophobicContact CD1-CG2 4.43Å; F117-V221 HydrophobicContact CD2-CB 3.57Å; F117-V221 HydrophobicContact CD2-CG1 3.9Å; F117-V221 HydrophobicContact CD2-CG2 3.75Å; F117-V221 HydrophobicContact CE2-CB 4.05Å; F117-V221 HydrophobicContact CE2-CG1 3.86Å; F117-V221 HydrophobicContact CE2-CG2 4.49Å; F117-V221 HydrophobicContact CG-CB 4.08Å; F117-V221 HydrophobicContact CG-CG2 3.7Å; F117-V221 HydrophobicContact CZ-CG1 4.45Å; V221-T340 HydrophobicContact CG2-CG2 3.9Å
222	G	88.4	Confident	91.2	Very high	3 Å²	3	48 Å²	48	3%	0.031	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-7.7	-174.4	0	0	0	0	0	114.8	V105 Q220 V337	V105-G222 VanDerWaalsContact CG1-CA 3.5Å; Q220-G222 PolarHBondContact O-N 3.46Å; G222-V337 PolarHBondContact N-O 2.74Å
223	D	89.8	Confident	91.3	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.032	22%	0.218	C	C	.	.			trans	-69.3	139.6	173.7	-73.5	-13.9	0	0	0	111.1	K205 Q220 I225 V337	K205-D223 WeakPolarHBondContact CE-OD1 3.34Å; K205-D223 WeakPolarHBondContact CE-OD2 3.42Å; K205-D223 IonicContact NZ-OD1 3.56Å; K205-D223 PolarHBondContact NZ-OD1 3.48Å; K205-D223 IonicContact NZ-OD2 3.66Å; K205-D223 PolarHBondContact NZ-OD2 3.03Å; Q220-D223 PolarHBondContact N-OD2 3.21Å; Q220-D223 VanDerWaalsContact N-OD2 3.08Å; Q220-D223 VanDerWaalsContact O-CB 3.27Å; Q220-D223 WeakPolarHBondContact O-CB 3.22Å; Q220-D223 PolarHBondContact O-N 3.5Å; Q220-D223 VanDerWaalsContact O-N 3.17Å; D223-I225 HydrophobicContact CB-CD1 4.12Å; D223-I225 HydrophobicContact CB-CG1 4.45Å; D223-V337 HydrophobicContact CB-CG2 4.46Å; D223-V337 WeakPolarHBondContact O-CG2 3.34Å; D223-V337 PolarHBondContact O-N 3.13Å
224	L	91.9	Very high	91.3	Very high	4 Å²	4	40 Å²	40	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.2	171.1	-65.6	177.3	0	0	0	108.7	K205 L206 L240 L280 F281 G335 V336	K205-L224 WeakPolarHBondContact CA-O 3.45Å; L206-L224 HydrophobicContact CB-CB 3.99Å; L206-L224 HydrophobicContact CD2-CD1 4.2Å; L206-L224 PolarHBondContact N-O 3.15Å; L224-L240 HydrophobicContact CD2-CD1 3.57Å; L224-L280 HydrophobicContact CD1-CB 4.46Å; L224-F281 HydrophobicContact CD1-CD1 4.31Å; L224-F281 HydrophobicContact CD1-CE1 3.67Å; L224-F281 HydrophobicContact CD1-CE2 4.33Å; L224-F281 HydrophobicContact CD1-CZ 3.67Å; L224-G335 WeakPolarHBondContact CA-O 3.45Å; L224-V336 HydrophobicContact CD2-CB 3.81Å; L224-V336 HydrophobicContact CD2-CG2 4.29Å
225	I	93.6	Very high	91.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.9	-177.3	-55.7	-60.7	0	0	0	109.5	K205 I219 D223 V227 P234 M237 I334 G335 V337	K205-I225 HydrophobicContact CB-CD1 4.06Å; K205-I225 HydrophobicContact CG-CD1 4.25Å; I219-I225 HydrophobicContact CD1-CD1 4.35Å; I219-I225 HydrophobicContact CG1-CD1 4.21Å; I219-I225 HydrophobicContact CG2-CD1 4.29Å; I219-I225 HydrophobicContact CG2-CG1 4.31Å; D223-I225 HydrophobicContact CB-CD1 4.12Å; D223-I225 HydrophobicContact CB-CG1 4.45Å; I225-V227 HydrophobicContact CG2-CG2 4.04Å; I225-P234 HydrophobicContact CG2-CG 4.12Å; I225-M237 HydrophobicContact CB-SD 3.97Å; I225-M237 HydrophobicContact CG1-SD 4.47Å; I225-I334 WeakPolarHBondContact O-CA 3.48Å; I225-G335 PolarHBondContact N-O 3.02Å; I225-G335 PolarHBondContact O-N 3.3Å; I225-V337 HydrophobicContact CG1-CG2 3.72Å
226	I	93.6	Very high	91.4	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.6	172	-50.9	177.2	0	0	0	107.3	S204 L206 K211 V333 I334	S204-I226 PolarHBondContact O-N 2.9Å; L206-I226 HydrophobicContact CB-CD1 4.24Å; L206-I226 HydrophobicContact CB-CG1 4.26Å; L206-I226 HydrophobicContact CD1-CD1 4.11Å; K211-I226 HydrophobicContact CD-CD1 3.8Å; K211-I226 HydrophobicContact CG-CD1 3.83Å; I226-V333 CarbonylContact C-O 3.57Å; I226-V333 WeakPolarHBondContact CA-O 3.34Å; I226-I334 HydrophobicContact CG1-CG1 4.27Å
227	V	93.9	Very high	91.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.8	177.8	-172.9	0	0	0	0	108.2	I225 Q231 I233 M237 V328 V333	I225-V227 HydrophobicContact CG2-CG2 4.04Å; V227-Q231 HydrophobicContact CG1-CB 3.79Å; V227-Q231 HydrophobicContact CG1-CG 4.17Å; V227-I233 HydrophobicContact CG1-CG1 4.49Å; V227-M237 HydrophobicContact CG2-CE 3.96Å; V227-V328 HydrophobicContact CB-CG2 4.04Å; V227-V328 HydrophobicContact CG1-CB 4.3Å; V227-V328 HydrophobicContact CG1-CG2 3.52Å; V227-V333 PolarHBondContact N-O 2.92Å; V227-V333 PolarHBondContact O-N 3.48Å
228	E	91.8	Very high	91.7	Very high	101 Å²	101	31.5 Å²	31.5	47%	0.472	15%	0.152	S	C	.	.			trans	-86.9	166.7	-179.6	-64.4	-177.3	-179.2	0	0	111.8	N230 Q231	E228-N230 PolarHBondContact O-N 3.04Å; E228-Q231 VanDerWaalsContact N-OE1 3.09Å; E228-Q231 VanDerWaalsContact O-CB 3.23Å; E228-Q231 WeakPolarHBondContact O-CB 3.46Å; E228-Q231 PolarHBondContact O-N 2.94Å; E228-Q231 VanDerWaalsContact O-N 3.07Å
229	K	88.4	Confident	91.8	Very high	86 Å²	86	27.4 Å²	27.4	37%	0.374	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	138.4	174.5	-175.7	179.9	176.8	-174.1	0	110.2	Q231 A329 G331	K229-Q231 PolarHBondContact O-N 2.73Å; K229-A329 VanDerWaalsContact CE-O 3.3Å; K229-A329 WeakPolarHBondContact CE-O 3.32Å; K229-A329 WeakPolarHBondContact CG-O 3.26Å; K229-G331 PolarHBondContact N-O 2.95Å
230	N	86.3	Confident	91.9	Very high	100 Å²	100	27.3 Å²	27.3	54%	0.535	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	8.9	-177.1	-61.7	-40.9	0	0	0	115.6	E228 R252 V328	E228-N230 PolarHBondContact O-N 3.04Å; N230-R252 PolarHBondContact OD1-NH2 3.06Å; N230-V328 WeakPolarHBondContact CA-O 3.48Å; N230-V328 PolarHBondContact N-O 2.7Å
231	Q	88.9	Confident	91.9	Very high	45 Å²	45	23 Å²	23	21%	0.21	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-92.6	147.3	173.3	-164.5	177.9	19.2	0	0	111	L202 Y203 V227 E228 K229 V328	L202-Q231 PolarHBondContact O-NE2 3.38Å; Y203-Q231 HydrophobicContact CE1-CG 3.98Å; V227-Q231 HydrophobicContact CG1-CB 3.79Å; V227-Q231 HydrophobicContact CG1-CG 4.17Å; E228-Q231 VanDerWaalsContact N-OE1 3.09Å; E228-Q231 VanDerWaalsContact O-CB 3.23Å; E228-Q231 WeakPolarHBondContact O-CB 3.46Å; E228-Q231 PolarHBondContact O-N 2.94Å; E228-Q231 VanDerWaalsContact O-N 3.07Å; K229-Q231 PolarHBondContact O-N 2.73Å; Q231-V328 PolarHBondContact O-N 2.99Å
232	R	89.6	Confident	91.9	Very high	69 Å²	69	22.9 Å²	22.9	26%	0.26	11%	0.107	S	C	.	.	B	Isolated β-bridge	trans	-77.4	147	176.5	-70.9	171.9	-177.3	-116.9	-6.7	110.6	Y203 A326 V327	Y203-R232 WeakPolarHBondContact CE1-O 3.32Å; Y203-R232 PolarHBondContact OH-O 3.13Å; R232-A326 CarbonylContact C-O 3.58Å; R232-A326 WeakPolarHBondContact CA-O 3.43Å; R232-V327 HydrophobicContact CG-CG2 3.94Å
233	I	93.4	Very high	91.7	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-77.8	124.6	172.7	-69.9	155.8	0	0	0	108.9	V227 A235 M237 I251 L322 W323 S325 A326 V328	V227-I233 HydrophobicContact CG1-CG1 4.49Å; I233-A235 WeakPolarHBondContact CG2-O 3.41Å; I233-M237 HydrophobicContact CG1-CE 4.39Å; I233-M237 HydrophobicContact CG2-CE 3.8Å; I233-M237 HydrophobicContact CG2-CG 4.37Å; I233-M237 HydrophobicContact CG2-SD 4.41Å; I233-I251 HydrophobicContact CD1-CG2 4.49Å; I233-L322 HydrophobicContact CD1-CB 3.85Å; I233-L322 HydrophobicContact CD1-CD2 4.16Å; I233-L322 HydrophobicContact CG2-CB 4.4Å; I233-W323 WeakPolarHBondContact CB-O 3.34Å; I233-W323 WeakPolarHBondContact CG2-O 3.44Å; I233-S325 PolarHBondContact O-N 3.34Å; I233-A326 HydrophobicContact CD1-CB 3.79Å; I233-A326 PolarHBondContact N-O 3.03Å; I233-V328 HydrophobicContact CD1-CG2 4.34Å; I233-V328 HydrophobicContact CG1-CG2 4.2Å
234	P	92.4	Very high	91.2	Very high	14 Å²	14	28.8 Å²	28.8	9%	0.091	14%	0.142	C	C	.	.			trans	-80.5	-19.8	-169.7	27.7	-33.8	0	0	0	115.5	N120 Y203 I219 I225	N120-P234 PolarHBondContact ND2-O 2.87Å; Y203-P234 HydrophobicContact CD1-CB 4.13Å; Y203-P234 HydrophobicContact CD1-CG 3.83Å; Y203-P234 HydrophobicContact CD2-CB 3.99Å; Y203-P234 HydrophobicContact CD2-CG 4.43Å; Y203-P234 HydrophobicContact CE1-CB 3.88Å; Y203-P234 HydrophobicContact CE1-CG 3.89Å; Y203-P234 HydrophobicContact CE2-CB 3.72Å; Y203-P234 HydrophobicContact CE2-CG 4.47Å; Y203-P234 HydrophobicContact CG-CB 4.19Å; Y203-P234 HydrophobicContact CG-CG 4.12Å; I219-P234 HydrophobicContact CD1-CB 3.54Å; I219-P234 HydrophobicContact CD1-CG 3.66Å; I225-P234 HydrophobicContact CG2-CG 4.12Å
235	A	94	Very high	90.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-158.5	168.6	-173.6	0	0	0	0	0	108.7	I233 M237 V337 Y339 T340	I233-A235 WeakPolarHBondContact CG2-O 3.41Å; A235-M237 VanDerWaalsContact O-CG 3.3Å; A235-M237 WeakPolarHBondContact O-CG 3.4Å; A235-M237 PolarHBondContact O-N 2.94Å; A235-V337 HydrophobicContact CB-CG1 3.73Å; A235-V337 HydrophobicContact CB-CG2 4.42Å; A235-Y339 WeakPolarHBondContact CB-O 3.18Å; A235-T340 HydrophobicContact CB-CG2 4.34Å
236	D	94.8	Very high	89.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.5	176.1	-66.2	-14.1	0	0	0	108.9	L322 W323 A324 I338 Y339 T344 R345	D236-L322 WeakPolarHBondContact CA-O 3.37Å; D236-W323 HydrophobicContact CB-CE3 4.05Å; D236-W323 HydrophobicContact CB-CZ3 4.35Å; D236-A324 WeakPolarHBondContact OD1-CB 3.47Å; D236-A324 PolarHBondContact OD1-N 3.28Å; D236-I338 HydrophobicContact CB-CG1 4.2Å; D236-I338 WeakPolarHBondContact O-CG1 3.4Å; D236-I338 PolarHBondContact O-N 2.95Å; D236-Y339 HydrophobicContact CB-CD2 3.83Å; D236-Y339 HydrophobicContact CB-CG 4.41Å; D236-Y339 PolarHBondContact N-O 2.99Å; D236-Y339 VanDerWaalsContact N-O 3.11Å; D236-Y339 PolarHBondContact O-N 3.34Å; D236-T344 WeakPolarHBondContact OD2-CA 3.48Å; D236-R345 PolarHBondContact OD2-N 3.04Å
237	M	94.9	Very high	89	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158.4	-173.6	-42.5	-175.5	-55.4	0	0	112.4	I225 V227 I233 A235 L322 V336 V337	I225-M237 HydrophobicContact CB-SD 3.97Å; I225-M237 HydrophobicContact CG1-SD 4.47Å; V227-M237 HydrophobicContact CG2-CE 3.96Å; I233-M237 HydrophobicContact CG1-CE 4.39Å; I233-M237 HydrophobicContact CG2-CE 3.8Å; I233-M237 HydrophobicContact CG2-CG 4.37Å; I233-M237 HydrophobicContact CG2-SD 4.41Å; A235-M237 VanDerWaalsContact O-CG 3.3Å; A235-M237 WeakPolarHBondContact O-CG 3.4Å; A235-M237 PolarHBondContact O-N 2.94Å; M237-L322 HydrophobicContact CB-CB 4.27Å; M237-L322 HydrophobicContact CE-CB 4.22Å; M237-L322 HydrophobicContact CE-CD1 3.78Å; M237-L322 PolarHBondContact N-O 3.47Å; M237-L322 PolarHBondContact O-N 3.29Å; M237-V336 CarbonylContact C-O 3.51Å; M237-V336 WeakPolarHBondContact CA-O 3.38Å; M237-V336 WeakPolarHBondContact CB-O 3.33Å; M237-V337 HydrophobicContact CG-CG2 4.04Å; M237-V337 HydrophobicContact SD-CG2 4.1Å
238	I	95	Very high	88.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.7	165.5	-61	-55.5	0	0	0	109.6	L240 V268 V287 F299 L316 T321 G335 V336 I338	I238-L240 HydrophobicContact CG2-CD2 4.31Å; I238-L240 PolarHBondContact O-N 2.98Å; I238-V268 HydrophobicContact CG2-CG2 4.18Å; I238-V287 HydrophobicContact CG1-CG1 4.08Å; I238-F299 HydrophobicContact CD1-CE1 3.65Å; I238-F299 HydrophobicContact CD1-CZ 3.67Å; I238-L316 HydrophobicContact CD1-CD1 4.34Å; I238-L316 HydrophobicContact CG1-CD1 4.33Å; I238-L316 HydrophobicContact CG2-CD1 4.04Å; I238-L316 HydrophobicContact CG2-CD2 4.34Å; I238-T321 HydrophobicContact CD1-CG2 3.81Å; I238-G335 CarbonylContact O-C 3.37Å; I238-G335 WeakPolarHBondContact O-CA 3.34Å; I238-V336 HydrophobicContact CB-CG1 3.89Å; I238-V336 PolarHBondContact N-O 3.4Å; I238-V336 PolarHBondContact O-N 2.84Å; I238-I338 HydrophobicContact CD1-CD1 3.96Å; I238-I338 HydrophobicContact CG1-CD1 4.23Å; I238-I338 HydrophobicContact CG1-CG2 3.92Å
239	F	94.9	Very high	88.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	110.7	-177.2	-173.7	-160.5	0	0	0	111.1	R241 T242 C249 K265 V266 A267 V268 N320 L322 V333	F239-R241 WeakPolarHBondContact CE2-O 3.1Å; F239-T242 HydrophobicContact CE2-CG2 4.39Å; F239-T242 HydrophobicContact CZ-CG2 3.83Å; F239-C249 HydrophobicContact CE1-CB 3.78Å; F239-C249 HydrophobicContact CE2-CB 4.48Å; F239-C249 HydrophobicContact CZ-CB 3.5Å; F239-K265 HydrophobicContact CD1-CB 3.86Å; F239-K265 HydrophobicContact CE1-CB 4.1Å; F239-K265 WeakPolarHBondContact CE1-O 3.43Å; F239-V266 WeakPolarHBondContact CD1-O 3.34Å; F239-A267 HydrophobicContact CD1-CB 4.08Å; F239-A267 HydrophobicContact CD2-CB 4.2Å; F239-A267 HydrophobicContact CE1-CB 3.94Å; F239-A267 VanDerWaalsContact CE1-N 3.27Å; F239-A267 HydrophobicContact CE2-CB 4.09Å; F239-A267 HydrophobicContact CG-CB 4.2Å; F239-A267 HydrophobicContact CZ-CB 3.95Å; F239-A267 WeakPolarHBondContact O-CA 3.27Å; F239-V268 PolarHBondContact O-N 2.8Å; F239-N320 WeakPolarHBondContact CB-O 3.27Å; F239-N320 PolarHBondContact N-O 3.02Å; F239-L322 HydrophobicContact CB-CD1 3.82Å; F239-L322 HydrophobicContact CB-CD2 4.44Å; F239-L322 HydrophobicContact CB-CG 3.97Å; F239-L322 HydrophobicContact CD2-CD1 4.17Å; F239-L322 HydrophobicContact CG-CD1 4.18Å; F239-L322 HydrophobicContact CG-CG 4.48Å; F239-V333 HydrophobicContact CD2-CG1 3.62Å; F239-V333 HydrophobicContact CE2-CB 4.27Å; F239-V333 HydrophobicContact CE2-CG1 3.68Å; F239-V333 HydrophobicContact CE2-CG2 4.11Å; F239-V333 HydrophobicContact CZ-CG2 4.46Å
240	L	92.5	Very high	88.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-40.7	-174.8	-62.2	178.7	0	0	0	112.9	L107 L224 I238 V268 T271 L280 F303 I334 V336	L107-L240 HydrophobicContact CD2-CD1 3.64Å; L107-L240 HydrophobicContact CD2-CD2 4.21Å; L107-L240 HydrophobicContact CG-CD1 4.47Å; L224-L240 HydrophobicContact CD2-CD1 3.57Å; I238-L240 HydrophobicContact CG2-CD2 4.31Å; I238-L240 PolarHBondContact O-N 2.98Å; L240-V268 HydrophobicContact CD2-CG2 4.38Å; L240-T271 HydrophobicContact CD2-CG2 4.49Å; L240-T271 WeakPolarHBondContact O-CB 3.37Å; L240-T271 PolarHBondContact O-OG1 3.26Å; L240-L280 HydrophobicContact CB-CD2 4.19Å; L240-L280 HydrophobicContact CD1-CD2 4Å; L240-F303 HydrophobicContact CD2-CD2 4.49Å; L240-F303 HydrophobicContact CD2-CE2 3.98Å; L240-I334 PolarHBondContact N-O 2.82Å; L240-V336 HydrophobicContact CD1-CB 3.89Å; L240-V336 HydrophobicContact CD1-CG1 3.96Å; L240-V336 HydrophobicContact CD2-CG1 4.22Å; L240-V336 HydrophobicContact CG-CG1 4.2Å
241	R	91.2	Very high	88.2	Confident	33 Å²	33	32 Å²	32	13%	0.125	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	148.2	-173.9	-170.4	171.8	178.9	153.4	5	112.3	F239 L274 A275 A276 I334	F239-R241 WeakPolarHBondContact CE2-O 3.1Å; R241-L274 PolarHBondContact NH1-O 3.13Å; R241-L274 PolarHBondContact NH2-O 3.25Å; R241-A275 PolarHBondContact NH2-O 3Å; R241-A276 PolarHBondContact NH1-O 3.26Å; R241-I334 HydrophobicContact CB-CB 4.33Å; R241-I334 PolarHBondContact N-O 3.33Å; R241-I334 PolarHBondContact O-N 2.93Å
242	T	90.6	Very high	87.9	Confident	8 Å²	8	32.9 Å²	32.9	5%	0.049	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	165	172.3	175.4	0	0	0	0	112.1	F239 E244 G247 Q272 T332	F239-T242 HydrophobicContact CE2-CG2 4.39Å; F239-T242 HydrophobicContact CZ-CG2 3.83Å; T242-E244 VanDerWaalsContact C-N 3.27Å; T242-E244 HydrophobicContact CG2-CB 4.23Å; T242-E244 PolarHBondContact OG1-N 3.41Å; T242-G247 VanDerWaalsContact CG2-C 3.5Å; T242-Q272 PolarHBondContact O-NE2 2.95Å; T242-T332 WeakPolarHBondContact CA-O 3.41Å; T242-T332 WeakPolarHBondContact CB-O 3.3Å; T242-T332 PolarHBondContact OG1-O 3.43Å
243	S	84.1	Confident	87.4	Confident	75 Å²	75	29.8 Å²	29.8	52%	0.524	15%	0.151	S	C	.	.	S	Bend	trans	-66	-26.4	169.8	47.1	0	0	0	0	113.3	T332	S243-T332 WeakPolarHBondContact CB-OG1 3.44Å; S243-T332 PolarHBondContact N-O 3.23Å; S243-T332 PolarHBondContact OG-N 3.17Å; S243-T332 VanDerWaalsContact OG-N 3.08Å; S243-T332 PolarHBondContact OG-OG1 3.47Å
244	E	80.3	Confident	86.2	Confident	58 Å²	58	31.4 Å²	31.4	27%	0.271	16%	0.159	S	C	.	.	S	Bend	trans	-74.2	132.4	178.2	-71.6	-177.7	-162.5	0	0	111.4	T242 T246 G247 Q272 S330	T242-E244 VanDerWaalsContact C-N 3.27Å; T242-E244 HydrophobicContact CG2-CB 4.23Å; T242-E244 PolarHBondContact OG1-N 3.41Å; E244-T246 PolarHBondContact O-N 3.4Å; E244-G247 PolarHBondContact O-N 3.43Å; E244-G247 VanDerWaalsContact O-N 3.11Å; E244-Q272 PolarHBondContact O-NE2 2.85Å; E244-S330 PolarHBondContact OE1-OG 2.94Å
245	K	75.5	Confident	85.1	Confident	207 Å²	207	31.6 Å²	31.6	90%	0.9	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.2	-178	-68.2	-177.9	-178	173.4	0	113.1	G247	K245-G247 PolarHBondContact O-N 2.96Å
246	T	74.2	Confident	84	Confident	88 Å²	88	32 Å²	32	54%	0.54	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.6	179.4	51.4	0	0	0	0	113.6	E244 A248 L597	E244-T246 PolarHBondContact O-N 3.4Å; T246-A248 PolarHBondContact O-N 2.94Å; T246-L597 HydrophobicContact CG2-CD1 4.28Å
247	G	81.9	Confident	82.7	Confident	3 Å²	3	33.4 Å²	33.4	3%	0.031	17%	0.168	C	C	.	.			trans	76	7	-174.9	0	0	0	0	0	114.3	T242 E244 K245 A267	T242-G247 VanDerWaalsContact CG2-C 3.5Å; E244-G247 PolarHBondContact O-N 3.43Å; E244-G247 VanDerWaalsContact O-N 3.11Å; K245-G247 PolarHBondContact O-N 2.96Å; G247-A267 WeakPolarHBondContact O-CB 3.2Å; G247-A267 PolarHBondContact O-N 3.47Å
248	A	82.8	Confident	81	Confident	18 Å²	18	34 Å²	34	15%	0.149	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	147.6	179.1	0	0	0	0	0	112	T246 L264 K265	T246-A248 PolarHBondContact O-N 2.94Å; A248-L264 HydrophobicContact CB-CD1 3.77Å; A248-K265 WeakPolarHBondContact CA-O 3.39Å
249	C	86.6	Confident	79.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142.2	168.9	175.3	0	0	0	0	109.8	F239 K265 S330 V333	F239-C249 HydrophobicContact CE1-CB 3.78Å; F239-C249 HydrophobicContact CE2-CB 4.48Å; F239-C249 HydrophobicContact CZ-CB 3.5Å; C249-K265 PolarHBondContact N-O 3.45Å; C249-K265 PolarHBondContact O-N 3.03Å; C249-S330 PolarHBondContact SG-O 3.11Å; C249-V333 HydrophobicContact CB-CG2 4.05Å; C249-V333 WeakPolarHBondContact SG-CG2 3.35Å
250	F	85.9	Confident	78.1	Confident	50 Å²	50	38.2 Å²	38.2	22%	0.219	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.7	172.7	-64.9	-81.7	0	0	0	111.1	W262 K263 L264 A329 S330	F250-W262 HydrophobicContact CB-CB 4.49Å; F250-W262 HydrophobicContact CB-CE3 3.7Å; F250-W262 HydrophobicContact CB-CZ3 4.32Å; F250-W262 HydrophobicContact CD1-CB 4.15Å; F250-W262 HydrophobicContact CG-CE3 4.09Å; F250-K263 WeakPolarHBondContact CA-O 3.48Å; F250-L264 HydrophobicContact CD1-CB 4.24Å; F250-L264 HydrophobicContact CD1-CD1 4.23Å; F250-L264 HydrophobicContact CE1-CB 3.96Å; F250-L264 HydrophobicContact CE1-CD1 3.82Å; F250-L264 HydrophobicContact CE1-CG 4.44Å; F250-L264 HydrophobicContact CE2-CD1 4.33Å; F250-L264 HydrophobicContact CZ-CD1 3.87Å; F250-A329 HydrophobicContact CB-CB 4.16Å; F250-A329 WeakPolarHBondContact O-CA 3.49Å; F250-A329 VanDerWaalsContact O-CB 3.3Å; F250-A329 WeakPolarHBondContact O-CB 3.45Å; F250-A329 PolarHBondContact O-N 2.83Å; F250-S330 PolarHBondContact O-N 2.81Å
251	I	88	Confident	77	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.7	170.6	68.8	169.4	0	0	0	110.5	I233 T253 K263 K265 L322 A326 V327	I233-I251 HydrophobicContact CD1-CG2 4.49Å; I251-T253 HydrophobicContact CD1-CG2 3.83Å; I251-T253 HydrophobicContact CG1-CG2 4.11Å; I251-K263 HydrophobicContact CG1-CB 4.06Å; I251-K263 PolarHBondContact N-O 3.33Å; I251-K263 PolarHBondContact O-N 3.07Å; I251-K265 HydrophobicContact CD1-CD 4.22Å; I251-K265 VanDerWaalsContact CD1-CE 3.45Å; I251-K265 HydrophobicContact CD1-CG 3.76Å; I251-K265 HydrophobicContact CG1-CG 3.84Å; I251-K265 HydrophobicContact CG2-CG 4.23Å; I251-L322 HydrophobicContact CG2-CD2 3.89Å; I251-A326 HydrophobicContact CD1-CB 4.23Å; I251-V327 CarbonylContact C-O 3.5Å; I251-V327 WeakPolarHBondContact CA-O 3.39Å
252	R	82.9	Confident	76.3	Confident	64 Å²	64	41.3 Å²	41.3	24%	0.242	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.5	170.4	-72.2	176.2	-73.3	-175.7	-9.5	109.5	N230 E254 A326 V327 A329	N230-R252 PolarHBondContact OD1-NH2 3.06Å; R252-E254 HydrophobicContact CB-CG 4.28Å; R252-A326 WeakPolarHBondContact O-CA 3.11Å; R252-A326 WeakPolarHBondContact O-CB 3.29Å; R252-V327 HydrophobicContact CB-CB 4.32Å; R252-V327 PolarHBondContact N-O 2.66Å; R252-V327 PolarHBondContact O-N 3.41Å; R252-A329 HydrophobicContact CG-CB 4.22Å
253	T	78.8	Confident	75.9	Confident	4 Å²	4	43 Å²	43	3%	0.025	22%	0.218	C	C	.	.			trans	-113.1	11	-178.8	57.7	0	0	0	0	114.2	I251 Q255 L256 D257 K263 A326	I251-T253 HydrophobicContact CD1-CG2 3.83Å; I251-T253 HydrophobicContact CG1-CG2 4.11Å; T253-Q255 PolarHBondContact O-N 3.04Å; T253-L256 WeakPolarHBondContact O-CB 3.38Å; T253-L256 PolarHBondContact O-N 3.31Å; T253-D257 PolarHBondContact O-N 3.18Å; T253-D257 PolarHBondContact OG1-OD1 3.33Å; T253-D257 PolarHBondContact OG1-OD2 3.44Å; T253-K263 HydrophobicContact CG2-CD 3.95Å; T253-K263 HydrophobicContact CG2-CG 4.48Å; T253-K263 WeakPolarHBondContact OG1-CD 3.5Å; T253-K263 WeakPolarHBondContact OG1-CE 3.43Å; T253-A326 HydrophobicContact CG2-CB 4.23Å
254	E	69.1	Low	75.8	Confident	37 Å²	37	43.4 Å²	43.4	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-43.3	-40.5	-177.1	-32.2	-175.9	158.8	0	0	112.9	R252 L256 G258 E259 T260 N864 E882	R252-E254 HydrophobicContact CB-CG 4.28Å; E254-L256 VanDerWaalsContact C-N 3.34Å; E254-L256 PolarHBondContact O-N 3.5Å; E254-G258 WeakPolarHBondContact O-CA 3.47Å; E254-G258 PolarHBondContact O-N 2.79Å; E254-E259 VanDerWaalsContact CA-O 3.23Å; E254-E259 WeakPolarHBondContact CA-O 3.36Å; E254-E259 PolarHBondContact N-O 3.49Å; E254-T260 HydrophobicContact CG-CG2 4.46Å; E254-N864 PolarHBondContact O-ND2 3.31Å; E254-E882 HydrophobicContact CB-CB 4.28Å; E254-E882 HydrophobicContact CB-CG 4.12Å
255	Q	69.4	Low	76.2	Confident	18 Å²	18	41 Å²	41	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-73.3	-15.4	-179.8	-69.5	176	17.3	0	0	116	T253 G863 E882	T253-Q255 PolarHBondContact O-N 3.04Å; Q255-G863 WeakPolarHBondContact O-CA 3.09Å; Q255-E882 WeakPolarHBondContact CG-O 3.41Å; Q255-E882 PolarHBondContact NE2-O 3.16Å
256	L	71.5	Confident	76.9	Confident	10 Å²	10	34 Å²	34	5%	0.052	18%	0.177	C	C	.	.	H	α-helix	trans	-107.8	-31.6	-172.4	-82.7	165.3	0	0	0	114.3	T253 E254 I296 W323 A326 N864	T253-L256 WeakPolarHBondContact O-CB 3.38Å; T253-L256 PolarHBondContact O-N 3.31Å; E254-L256 VanDerWaalsContact C-N 3.34Å; E254-L256 PolarHBondContact O-N 3.5Å; L256-I296 WeakPolarHBondContact O-CD1 3.34Å; L256-W323 HydrophobicContact CD1-CB 3.48Å; L256-W323 VanDerWaalsContact CD1-CB 3.48Å; L256-W323 HydrophobicContact CD1-CG 4.35Å; L256-A326 HydrophobicContact CD1-CB 4.21Å; L256-N864 WeakPolarHBondContact CA-OD1 3.15Å; L256-N864 PolarHBondContact O-OD1 2.86Å
257	D	67.3	Low	77.8	Confident	28 Å²	28	30 Å²	30	15%	0.15	15%	0.152	C	C	.	.	H	α-helix	trans	-129.2	-20.8	178.4	44.3	32.5	0	0	0	113.5	T253 E259 K263 I296 N864	T253-D257 PolarHBondContact O-N 3.18Å; T253-D257 PolarHBondContact OG1-OD1 3.33Å; T253-D257 PolarHBondContact OG1-OD2 3.44Å; D257-E259 VanDerWaalsContact C-N 3.29Å; D257-E259 HydrophobicContact CB-CG 4.35Å; D257-E259 WeakPolarHBondContact OD1-CB 3.44Å; D257-E259 PolarHBondContact OD1-N 2.91Å; D257-K263 IonicContact OD2-NZ 2.76Å; D257-K263 PolarHBondContact OD2-NZ 3.43Å; D257-I296 HydrophobicContact CB-CD1 3.71Å; D257-N864 PolarHBondContact N-OD1 3.38Å; D257-N864 PolarHBondContact O-ND2 2.76Å
258	G	59.2	Low	78.2	Confident	12 Å²	12	29.8 Å²	29.8	12%	0.124	15%	0.15	C	C	.	.			trans	88.5	9.5	178.4	0	0	0	0	0	111.3	E254 N864	E254-G258 WeakPolarHBondContact O-CA 3.47Å; E254-G258 PolarHBondContact O-N 2.79Å; G258-N864 WeakPolarHBondContact CA-ND2 3.13Å; G258-N864 PolarHBondContact N-ND2 3Å
259	E	67	Low	78.3	Confident	72 Å²	72	32.1 Å²	32.1	34%	0.336	17%	0.165	S	C	.	.			trans	-87.1	126.1	172.9	-62.2	179.5	173.9	0	0	108.1	E254 D257 D261 K263	E254-E259 VanDerWaalsContact CA-O 3.23Å; E254-E259 WeakPolarHBondContact CA-O 3.36Å; E254-E259 PolarHBondContact N-O 3.49Å; D257-E259 VanDerWaalsContact C-N 3.29Å; D257-E259 HydrophobicContact CB-CG 4.35Å; D257-E259 WeakPolarHBondContact OD1-CB 3.44Å; D257-E259 PolarHBondContact OD1-N 2.91Å; E259-D261 HydrophobicContact CB-CB 4.45Å; E259-D261 PolarHBondContact O-N 2.97Å; E259-K263 WeakPolarHBondContact OE2-CE 3.38Å; E259-K263 IonicContact OE2-NZ 3.3Å; E259-K263 PolarHBondContact OE2-NZ 3.2Å
260	T	62.4	Low	78.2	Confident	18 Å²	18	33 Å²	33	11%	0.11	17%	0.172	C	C	.	.			trans	-84.4	5.5	175.3	62.3	0	0	0	0	113.2	E254 T457 N463	E254-T260 HydrophobicContact CG-CG2 4.46Å; T260-T457 HydrophobicContact CG2-CG2 4.3Å; T260-N463 WeakPolarHBondContact CB-ND2 3.21Å; T260-N463 HydrophobicContact CG2-CB 4.47Å; T260-N463 VanDerWaalsContact CG2-CG 3.49Å; T260-N463 WeakPolarHBondContact CG2-ND2 3.47Å; T260-N463 PolarHBondContact OG1-ND2 3.41Å; T260-N463 PolarHBondContact OG1-OD1 3.43Å
261	D	69.1	Low	78.2	Confident	51 Å²	51	30.7 Å²	30.7	27%	0.273	16%	0.161	S	C	.	.	S	Bend	trans	-73.1	135.2	-178.2	-71.8	-7.7	0	0	0	110.1	E259 K263 S574 P576	E259-D261 HydrophobicContact CB-CB 4.45Å; E259-D261 PolarHBondContact O-N 2.97Å; D261-K263 PolarHBondContact O-N 3.41Å; D261-S574 WeakPolarHBondContact CB-O 3.46Å; D261-P576 WeakPolarHBondContact OD1-CD 3.41Å
262	W	76.4	Confident	78.2	Confident	47 Å²	47	32.1 Å²	32.1	18%	0.178	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.5	174.8	-69.7	33.5	0	0	0	108.5	F250 A329 Q572 A573 S574	F250-W262 HydrophobicContact CB-CB 4.49Å; F250-W262 HydrophobicContact CB-CE3 3.7Å; F250-W262 HydrophobicContact CB-CZ3 4.32Å; F250-W262 HydrophobicContact CD1-CB 4.15Å; F250-W262 HydrophobicContact CG-CE3 4.09Å; W262-A329 HydrophobicContact CD2-CB 4.22Å; W262-A329 HydrophobicContact CE3-CB 3.78Å; W262-A329 HydrophobicContact CH2-CB 3.84Å; W262-A329 HydrophobicContact CZ2-CB 4.34Å; W262-A329 HydrophobicContact CZ3-CB 3.53Å; W262-Q572 HydrophobicContact CE3-CB 4.14Å; W262-Q572 HydrophobicContact CH2-CB 4.01Å; W262-Q572 HydrophobicContact CH2-CG 3.55Å; W262-Q572 HydrophobicContact CZ2-CB 4.37Å; W262-Q572 HydrophobicContact CZ2-CG 3.97Å; W262-Q572 HydrophobicContact CZ3-CB 3.89Å; W262-Q572 HydrophobicContact CZ3-CG 3.89Å; W262-A573 WeakPolarHBondContact CB-O 3.28Å; W262-S574 WeakPolarHBondContact O-CA 3.48Å
263	K	80.9	Confident	78.2	Confident	43 Å²	43	34.4 Å²	34.4	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.8	-178.5	-60.5	-165.8	178.1	-175.7	0	109.5	F250 I251 T253 D257 E259 D261 K265	F250-K263 WeakPolarHBondContact CA-O 3.48Å; I251-K263 HydrophobicContact CG1-CB 4.06Å; I251-K263 PolarHBondContact N-O 3.33Å; I251-K263 PolarHBondContact O-N 3.07Å; T253-K263 HydrophobicContact CG2-CD 3.95Å; T253-K263 HydrophobicContact CG2-CG 4.48Å; T253-K263 WeakPolarHBondContact OG1-CD 3.5Å; T253-K263 WeakPolarHBondContact OG1-CE 3.43Å; D257-K263 IonicContact OD2-NZ 2.76Å; D257-K263 PolarHBondContact OD2-NZ 3.43Å; E259-K263 WeakPolarHBondContact OE2-CE 3.38Å; E259-K263 IonicContact OE2-NZ 3.3Å; E259-K263 PolarHBondContact OE2-NZ 3.2Å; D261-K263 PolarHBondContact O-N 3.41Å; K263-K265 PolarHBondContact O-N 3.28Å
264	L	83.5	Confident	78.4	Confident	83 Å²	83	35.3 Å²	35.3	44%	0.435	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.1	170.7	-177.6	64.9	0	0	0	109.1	A248 F250	A248-L264 HydrophobicContact CB-CD1 3.77Å; F250-L264 HydrophobicContact CD1-CB 4.24Å; F250-L264 HydrophobicContact CD1-CD1 4.23Å; F250-L264 HydrophobicContact CE1-CB 3.96Å; F250-L264 HydrophobicContact CE1-CD1 3.82Å; F250-L264 HydrophobicContact CE1-CG 4.44Å; F250-L264 HydrophobicContact CE2-CD1 4.33Å; F250-L264 HydrophobicContact CZ-CD1 3.87Å
265	K	88.4	Confident	78.8	Confident	9 Å²	9	38.2 Å²	38.2	4%	0.039	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.7	171.9	-63.6	-61.3	-176.8	-174.1	0	109	F239 A248 C249 I251 K263 I318 D319 T321 L322	F239-K265 HydrophobicContact CD1-CB 3.86Å; F239-K265 HydrophobicContact CE1-CB 4.1Å; F239-K265 WeakPolarHBondContact CE1-O 3.43Å; A248-K265 WeakPolarHBondContact CA-O 3.39Å; C249-K265 PolarHBondContact N-O 3.45Å; C249-K265 PolarHBondContact O-N 3.03Å; I251-K265 HydrophobicContact CD1-CD 4.22Å; I251-K265 VanDerWaalsContact CD1-CE 3.45Å; I251-K265 HydrophobicContact CD1-CG 3.76Å; I251-K265 HydrophobicContact CG1-CG 3.84Å; I251-K265 HydrophobicContact CG2-CG 4.23Å; K263-K265 PolarHBondContact O-N 3.28Å; K265-I318 PolarHBondContact NZ-O 3.49Å; K265-D319 CarbonylContact C-O 3.52Å; K265-D319 VanDerWaalsContact CA-O 3.3Å; K265-D319 WeakPolarHBondContact CA-O 3.31Å; K265-D319 WeakPolarHBondContact CB-O 3.34Å; K265-D319 VanDerWaalsContact CD-O 3.3Å; K265-D319 WeakPolarHBondContact CD-O 3.22Å; K265-T321 WeakPolarHBondContact CD-O 3.39Å; K265-T321 VanDerWaalsContact CE-O 3.23Å; K265-T321 WeakPolarHBondContact CE-O 3.35Å; K265-L322 HydrophobicContact CB-CD2 4.48Å; K265-L322 HydrophobicContact CG-CD2 4.27Å
266	V	89.3	Confident	79.3	Confident	60 Å²	60	39.6 Å²	39.6	36%	0.364	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.5	-176.3	-174.6	0	0	0	0	109.1	F239 D319 N320	F239-V266 WeakPolarHBondContact CD1-O 3.34Å; V266-D319 PolarHBondContact N-O 2.83Å; V266-N320 PolarHBondContact O-ND2 2.85Å
267	A	92.5	Very high	79.7	Confident	2 Å²	2	41.7 Å²	41.7	2%	0.017	26%	0.255	C	S	.	.			trans	-67.1	152.9	177	0	0	0	0	0	110.7	F239 G247 S269 Q272	F239-A267 HydrophobicContact CD1-CB 4.08Å; F239-A267 HydrophobicContact CD2-CB 4.2Å; F239-A267 HydrophobicContact CE1-CB 3.94Å; F239-A267 VanDerWaalsContact CE1-N 3.27Å; F239-A267 HydrophobicContact CE2-CB 4.09Å; F239-A267 HydrophobicContact CG-CB 4.2Å; F239-A267 HydrophobicContact CZ-CB 3.95Å; F239-A267 WeakPolarHBondContact O-CA 3.27Å; G247-A267 WeakPolarHBondContact O-CB 3.2Å; G247-A267 PolarHBondContact O-N 3.47Å; A267-S269 PolarHBondContact O-N 3.13Å; A267-Q272 HydrophobicContact CB-CB 4.39Å
268	V	90.8	Very high	80.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.272	C	S	.	.			trans	-57.2	127	172.3	174.2	0	0	0	0	109.6	I238 F239 L240 C270 T271 Q272 F303 E314 L316	I238-V268 HydrophobicContact CG2-CG2 4.18Å; F239-V268 PolarHBondContact O-N 2.8Å; L240-V268 HydrophobicContact CD2-CG2 4.38Å; V268-C270 PolarHBondContact O-N 2.87Å; V268-T271 WeakPolarHBondContact CB-OG1 3.48Å; V268-T271 PolarHBondContact O-N 2.82Å; V268-T271 PolarHBondContact O-OG1 3.43Å; V268-Q272 PolarHBondContact O-N 3.48Å; V268-Q272 VanDerWaalsContact O-N 3.1Å; V268-F303 HydrophobicContact CG1-CB 4.48Å; V268-F303 HydrophobicContact CG1-CD1 3.96Å; V268-F303 HydrophobicContact CG1-CD2 4.2Å; V268-F303 HydrophobicContact CG1-CE1 4.23Å; V268-F303 HydrophobicContact CG1-CE2 4.47Å; V268-F303 HydrophobicContact CG1-CG 3.96Å; V268-F303 HydrophobicContact CG1-CZ 4.48Å; V268-F303 HydrophobicContact CG2-CD2 4.48Å; V268-E314 WeakPolarHBondContact CG1-OE2 2.91Å; V268-L316 HydrophobicContact CG2-CD2 3.54Å
269	S	85.6	Confident	81.1	Confident	67 Å²	67	44.8 Å²	44.8	47%	0.469	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-45.1	-166.2	-50.5	0	0	0	0	111.3	A267 T271 Q272 C273 E314	A267-S269 PolarHBondContact O-N 3.13Å; S269-T271 VanDerWaalsContact C-N 3.29Å; S269-T271 PolarHBondContact O-N 3.01Å; S269-Q272 PolarHBondContact O-N 3.1Å; S269-C273 PolarHBondContact O-N 3.34Å; S269-C273 PolarHBondContact O-SG 2.81Å; S269-E314 VanDerWaalsContact CB-OE1 3.3Å; S269-E314 WeakPolarHBondContact CB-OE1 3.47Å; S269-E314 PolarHBondContact N-OE1 3.36Å; S269-E314 VanDerWaalsContact N-OE1 3.08Å; S269-E314 PolarHBondContact N-OE2 2.91Å; S269-E314 PolarHBondContact OG-OE1 3.01Å
270	C	84.3	Confident	81.9	Confident	19 Å²	19	41.4 Å²	41.4	13%	0.128	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-27.2	-176.8	68.3	0	0	0	0	113.8	V268 F303	V268-C270 PolarHBondContact O-N 2.87Å; C270-F303 WeakPolarHBondContact SG-CE1 3.44Å
271	T	86.4	Confident	82.8	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-86.6	-28.5	179	47.4	0	0	0	0	112.5	L240 V268 S269 C273 L274 L280 I283 F303	L240-T271 HydrophobicContact CD2-CG2 4.49Å; L240-T271 WeakPolarHBondContact O-CB 3.37Å; L240-T271 PolarHBondContact O-OG1 3.26Å; V268-T271 WeakPolarHBondContact CB-OG1 3.48Å; V268-T271 PolarHBondContact O-N 2.82Å; V268-T271 PolarHBondContact O-OG1 3.43Å; S269-T271 VanDerWaalsContact C-N 3.29Å; S269-T271 PolarHBondContact O-N 3.01Å; T271-C273 VanDerWaalsContact C-N 3.35Å; T271-L274 WeakPolarHBondContact O-CB 3.24Å; T271-L274 PolarHBondContact O-N 3.3Å; T271-L280 HydrophobicContact CG2-CD2 4.2Å; T271-I283 HydrophobicContact CG2-CD1 4.02Å; T271-F303 HydrophobicContact CG2-CE1 4.43Å; T271-F303 HydrophobicContact CG2-CE2 4.35Å; T271-F303 HydrophobicContact CG2-CZ 3.77Å
272	Q	87.4	Confident	83.4	Confident	30 Å²	30	44.2 Å²	44.2	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-34.1	173.2	-173.7	63.9	26.7	0	0	111.9	T242 E244 A267 V268 S269 L274	T242-Q272 PolarHBondContact O-NE2 2.95Å; E244-Q272 PolarHBondContact O-NE2 2.85Å; A267-Q272 HydrophobicContact CB-CB 4.39Å; V268-Q272 PolarHBondContact O-N 3.48Å; V268-Q272 VanDerWaalsContact O-N 3.1Å; S269-Q272 PolarHBondContact O-N 3.1Å; Q272-L274 PolarHBondContact O-N 3.16Å
273	C	83.4	Confident	83.8	Confident	111 Å²	111	42.1 Å²	42.1	75%	0.75	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-8	177.6	-65.7	0	0	0	0	114.8	S269 T271	S269-C273 PolarHBondContact O-N 3.34Å; S269-C273 PolarHBondContact O-SG 2.81Å; T271-C273 VanDerWaalsContact C-N 3.35Å
274	L	82.4	Confident	84	Confident	24 Å²	24	41.2 Å²	41.2	13%	0.126	28%	0.275	C	S	.	.			trans	-68.9	139.6	-180	-66.3	172.8	0	0	0	111.2	R241 T271 Q272 D279 L280 I283	R241-L274 PolarHBondContact NH1-O 3.13Å; R241-L274 PolarHBondContact NH2-O 3.25Å; T271-L274 WeakPolarHBondContact O-CB 3.24Å; T271-L274 PolarHBondContact O-N 3.3Å; Q272-L274 PolarHBondContact O-N 3.16Å; L274-D279 HydrophobicContact CB-CB 4.31Å; L274-D279 HydrophobicContact CD1-CB 4.23Å; L274-D279 HydrophobicContact CD2-CB 4.29Å; L274-L280 HydrophobicContact CD1-CG 4.31Å; L274-I283 HydrophobicContact CD1-CD1 4.46Å; L274-I283 HydrophobicContact CD1-CG2 4.39Å; L274-I283 HydrophobicContact CD2-CG2 4.4Å
275	A	77.4	Confident	84.2	Confident	97 Å²	97	37.3 Å²	37.3	80%	0.802	26%	0.255	S	S	*	.	S	Bend	trans	-66	-46.6	-177.7	0	0	0	0	0	112.1	R241	R241-A275 PolarHBondContact NH2-O 3Å
276	A	80.3	Confident	84.3	Confident	48 Å²	48	38.7 Å²	38.7	40%	0.397	26%	0.261	S	S	.	.	S	Bend	trans	-120.1	152.9	-178.2	0	0	0	0	0	113	R241 G278 D279	R241-A276 PolarHBondContact NH1-O 3.26Å; A276-G278 PolarHBondContact O-N 3.41Å; A276-D279 PolarHBondContact N-OD2 3.35Å; A276-D279 WeakPolarHBondContact O-CB 3.34Å; A276-D279 PolarHBondContact O-N 3.02Å
277	V	80	Confident	84.4	Confident	53 Å²	53	35.8 Å²	35.8	32%	0.321	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-65.1	-28.9	176.2	179.1	0	0	0	0	111.5	L206 D279 L280 I334	L206-V277 HydrophobicContact CD1-CG1 4.08Å; L206-V277 HydrophobicContact CD2-CG1 3.69Å; V277-D279 PolarHBondContact O-N 2.88Å; V277-L280 HydrophobicContact CG1-CD1 4.17Å; V277-L280 WeakPolarHBondContact O-CB 3.44Å; V277-L280 WeakPolarHBondContact O-CD1 3.32Å; V277-L280 PolarHBondContact O-N 3.13Å; V277-I334 HydrophobicContact CG1-CD1 3.61Å; V277-I334 HydrophobicContact CG2-CD1 4.21Å
278	G	75.8	Confident	84.3	Confident	50 Å²	50	40.9 Å²	40.9	52%	0.515	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-63.6	-25.5	176	0	0	0	0	0	113.7	A276 L280 F281	A276-G278 PolarHBondContact O-N 3.41Å; G278-L280 PolarHBondContact O-N 3.01Å; G278-F281 PolarHBondContact O-N 3.49Å
279	D	80.2	Confident	84.3	Confident	56 Å²	56	40.9 Å²	40.9	30%	0.299	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-69	-14.8	-178.3	-56.2	-28.4	0	0	0	112.4	L274 A276 V277 F281 S282 I283	L274-D279 HydrophobicContact CB-CB 4.31Å; L274-D279 HydrophobicContact CD1-CB 4.23Å; L274-D279 HydrophobicContact CD2-CB 4.29Å; A276-D279 PolarHBondContact N-OD2 3.35Å; A276-D279 WeakPolarHBondContact O-CB 3.34Å; A276-D279 PolarHBondContact O-N 3.02Å; V277-D279 PolarHBondContact O-N 2.88Å; D279-F281 PolarHBondContact O-N 3.05Å; D279-S282 WeakPolarHBondContact CA-OG 3.29Å; D279-S282 PolarHBondContact O-N 3.47Å; D279-S282 VanDerWaalsContact O-N 3.14Å; D279-S282 PolarHBondContact O-OG 3.08Å; D279-I283 PolarHBondContact O-N 3.2Å
280	L	83.3	Confident	84.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-61.5	-22.9	172.3	-82.9	145.6	0	0	0	113.2	L107 L224 L240 T271 L274 V277 G278 I283	L107-L280 HydrophobicContact CD2-CD2 4.48Å; L224-L280 HydrophobicContact CD1-CB 4.46Å; L240-L280 HydrophobicContact CB-CD2 4.19Å; L240-L280 HydrophobicContact CD1-CD2 4Å; T271-L280 HydrophobicContact CG2-CD2 4.2Å; L274-L280 HydrophobicContact CD1-CG 4.31Å; V277-L280 HydrophobicContact CG1-CD1 4.17Å; V277-L280 WeakPolarHBondContact O-CB 3.44Å; V277-L280 WeakPolarHBondContact O-CD1 3.32Å; V277-L280 PolarHBondContact O-N 3.13Å; G278-L280 PolarHBondContact O-N 3.01Å; L280-I283 WeakPolarHBondContact O-CG1 3.45Å
281	F	82.1	Confident	84.9	Confident	43 Å²	43	43 Å²	43	19%	0.189	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-92.1	-17.4	175.5	-63.9	-79.2	0	0	0	113.8	L206 V208 L224 G278 D279	L206-F281 HydrophobicContact CB-CZ 4.31Å; L206-F281 HydrophobicContact CD2-CE2 3.62Å; L206-F281 HydrophobicContact CD2-CZ 3.96Å; L206-F281 HydrophobicContact CG-CE2 3.6Å; L206-F281 HydrophobicContact CG-CZ 3.77Å; L206-F281 WeakPolarHBondContact O-CZ 3.34Å; V208-F281 HydrophobicContact CG2-CB 4.33Å; V208-F281 HydrophobicContact CG2-CD1 3.93Å; V208-F281 HydrophobicContact CG2-CE1 4.37Å; V208-F281 HydrophobicContact CG2-CG 4.01Å; L224-F281 HydrophobicContact CD1-CD1 4.31Å; L224-F281 HydrophobicContact CD1-CE1 3.67Å; L224-F281 HydrophobicContact CD1-CE2 4.33Å; L224-F281 HydrophobicContact CD1-CZ 3.67Å; G278-F281 PolarHBondContact O-N 3.49Å; D279-F281 PolarHBondContact O-N 3.05Å
282	S	81.4	Confident	85	Confident	85 Å²	85	43.3 Å²	43.3	59%	0.594	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-26.2	-179.7	59.6	0	0	0	0	112.2	D279	D279-S282 WeakPolarHBondContact CA-OG 3.29Å; D279-S282 PolarHBondContact O-N 3.47Å; D279-S282 VanDerWaalsContact O-N 3.14Å; D279-S282 PolarHBondContact O-OG 3.08Å
283	I	84.6	Confident	85	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	27%	0.273	C	S	.	.	S	Bend	trans	-69.2	145.1	175.8	62.1	172.1	0	0	0	112.4	L107 T271 L274 D279 L280 A285	L107-I283 HydrophobicContact CD2-CD1 4.27Å; T271-I283 HydrophobicContact CG2-CD1 4.02Å; L274-I283 HydrophobicContact CD1-CD1 4.46Å; L274-I283 HydrophobicContact CD1-CG2 4.39Å; L274-I283 HydrophobicContact CD2-CG2 4.4Å; D279-I283 PolarHBondContact O-N 3.2Å; L280-I283 WeakPolarHBondContact O-CG1 3.45Å; I283-A285 HydrophobicContact CD1-CB 4.12Å; I283-A285 HydrophobicContact CG1-CB 4.42Å
284	S	85.1	Confident	84.8	Confident	23 Å²	23	44.4 Å²	44.4	16%	0.161	26%	0.26	C	S	.	.			trans	-99.4	91.6	170.6	-168	0	0	0	0	108.3	E306 D307	S284-E306 PolarHBondContact O-N 2.88Å; S284-D307 PolarHBondContact N-OD1 3.4Å
285	A	87.8	Confident	84.7	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.4	-177.8	0	0	0	0	0	112.5	L107 I283 F303 T304 R305	L107-A285 HydrophobicContact CD1-CB 4.02Å; L107-A285 WeakPolarHBondContact CD1-O 3.45Å; L107-A285 PolarHBondContact N-O 2.97Å; I283-A285 HydrophobicContact CD1-CB 4.12Å; I283-A285 HydrophobicContact CG1-CB 4.42Å; A285-F303 HydrophobicContact CB-CE1 3.96Å; A285-F303 HydrophobicContact CB-CE2 4.22Å; A285-F303 HydrophobicContact CB-CZ 3.52Å; A285-T304 WeakPolarHBondContact CA-O 3.48Å; A285-T304 WeakPolarHBondContact CB-O 3.41Å; A285-R305 HydrophobicContact CB-CB 4.49Å
286	F	89.6	Confident	84.9	Confident	38 Å²	38	42.8 Å²	42.8	17%	0.167	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.1	173.4	65.7	-95.4	0	0	0	111.5	T104 V105 W106 T304 E306	T104-F286 HydrophobicContact CG2-CB 3.89Å; T104-F286 HydrophobicContact CG2-CD2 3.42Å; T104-F286 VanDerWaalsContact CG2-CD2 3.42Å; T104-F286 HydrophobicContact CG2-CE2 4.18Å; T104-F286 HydrophobicContact CG2-CG 3.87Å; V105-F286 CarbonylContact O-C 3.38Å; V105-F286 WeakPolarHBondContact O-CA 3.34Å; W106-F286 HydrophobicContact CD2-CB 3.88Å; W106-F286 HydrophobicContact CE3-CB 3.87Å; W106-F286 HydrophobicContact CE3-CD1 4.27Å; W106-F286 HydrophobicContact CG-CB 4.31Å; W106-F286 AromaticContact CH2-CD1 3.7Å; W106-F286 HydrophobicContact CH2-CD1 3.7Å; W106-F286 HydrophobicContact CH2-CE1 4.29Å; W106-F286 HydrophobicContact CH2-CG 4.41Å; W106-F286 HydrophobicContact CZ2-CD1 4.2Å; W106-F286 HydrophobicContact CZ3-CB 4.22Å; W106-F286 AromaticContact CZ3-CD1 3.74Å; W106-F286 HydrophobicContact CZ3-CD1 3.74Å; W106-F286 HydrophobicContact CZ3-CG 4.4Å; F286-T304 HydrophobicContact CE1-CG2 3.8Å; F286-T304 HydrophobicContact CZ-CG2 3.79Å; F286-T304 PolarHBondContact N-O 2.8Å; F286-T304 PolarHBondContact O-N 3.27Å; F286-E306 HydrophobicContact CE1-CG 4.11Å; F286-E306 WeakPolarHBondContact CE1-OE1 3.41Å
287	V	91.2	Very high	85	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.4	174.4	-179.2	0	0	0	0	108.5	T104 V105 L107 I238 N302 F303 L316 V336	T104-V287 CarbonylContact C-O 3.54Å; T104-V287 WeakPolarHBondContact CA-O 3.32Å; V105-V287 PolarHBondContact N-O 3.36Å; V105-V287 PolarHBondContact O-N 3.09Å; L107-V287 HydrophobicContact CD1-CG2 4Å; I238-V287 HydrophobicContact CG1-CG1 4.08Å; V287-N302 WeakPolarHBondContact CA-O 3.43Å; V287-F303 HydrophobicContact CG2-CD2 3.85Å; V287-F303 HydrophobicContact CG2-CE2 4.33Å; V287-L316 HydrophobicContact CG1-CD1 3.73Å; V287-V336 HydrophobicContact CG2-CG1 4.2Å
288	Y	91.1	Very high	85.1	Confident	108 Å²	108	44.7 Å²	44.7	42%	0.424	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.4	162.7	-179.5	-97.8	0	0	0	108.8	A102 G301 N302	A102-Y288 HydrophobicContact CB-CE2 4.49Å; Y288-G301 CarbonylContact O-C 3.58Å; Y288-G301 WeakPolarHBondContact O-CA 3.43Å; Y288-N302 PolarHBondContact N-O 2.83Å; Y288-N302 PolarHBondContact O-N 2.7Å
289	A	90.9	Very high	85.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.8	177.8	0	0	0	0	0	110.3	R103 F299	R103-A289 PolarHBondContact N-O 3.3Å; R103-A289 PolarHBondContact O-N 3.4Å; A289-F299 HydrophobicContact CB-CE2 4.31Å; A289-F299 HydrophobicContact CB-CZ 4.17Å
290	Q	91.3	Very high	86.1	Confident	21 Å²	21	47.1 Å²	47.1	10%	0.098	24%	0.235	C	C	.	.			trans	-56.8	175.5	175.2	64.6	178.6	37.3	0	0	113.2	Q293 F299 E300 Y339	Q290-Q293 VanDerWaalsContact NE2-OE1 3.08Å; Q290-F299 HydrophobicContact CG-CD2 4.29Å; Q290-F299 HydrophobicContact CG-CE2 4.33Å; Q290-E300 PolarHBondContact N-O 3.1Å; Q290-Y339 PolarHBondContact O-OH 2.89Å
291	K	90.7	Very high	86.3	Confident	109 Å²	109	47.4 Å²	47.4	47%	0.474	24%	0.238	S	C	.	.			trans	-66.3	145.4	171	66.7	-172.2	177.5	-171.3	0	110.1	Q293	K291-Q293 HydrophobicContact CG-CG 4.3Å; K291-Q293 PolarHBondContact O-N 3.15Å
292	P	89.8	Confident	86.7	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.058	25%	0.251	C	S	.	.			trans	-55.8	127.5	173.2	-17.8	24.2	0	0	0	110.9	M100 Y339 E343 L348	M100-P292 HydrophobicContact CE-CB 3.72Å; M100-P292 HydrophobicContact CE-CG 4.3Å; M100-P292 HydrophobicContact SD-CB 4.01Å; M100-P292 HydrophobicContact SD-CG 3.9Å; P292-Y339 HydrophobicContact CB-CD1 4.42Å; P292-Y339 HydrophobicContact CB-CE1 4.36Å; P292-Y339 HydrophobicContact CG-CD1 3.72Å; P292-Y339 HydrophobicContact CG-CE1 3.63Å; P292-Y339 HydrophobicContact CG-CG 4.38Å; P292-E343 HydrophobicContact CG-CB 4.19Å; P292-E343 HydrophobicContact CG-CG 4.47Å; P292-L348 HydrophobicContact CB-CD1 4.15Å
293	Q	86.1	Confident	87.1	Confident	69 Å²	69	45.4 Å²	45.4	32%	0.322	22%	0.223	S	C	.	.			trans	-124	161.7	-179.5	-76.7	176.9	-13.4	0	0	110.3	Q290 K291	Q290-Q293 VanDerWaalsContact NE2-OE1 3.08Å; K291-Q293 HydrophobicContact CG-CG 4.3Å; K291-Q293 PolarHBondContact O-N 3.15Å
294	L	79.1	Confident	87.3	Confident	94 Å²	94	45.7 Å²	45.7	49%	0.492	23%	0.225	S	C	.	.	S	Bend	trans	-74.9	-29.6	178.3	-77.7	157.1	0	0	0	112.6	I296 L348 N349	L294-I296 PolarHBondContact O-N 3.2Å; L294-L348 HydrophobicContact CD2-CB 3.83Å; L294-L348 VanDerWaalsContact CD2-O 3.3Å; L294-L348 WeakPolarHBondContact CD2-O 3.27Å; L294-N349 WeakPolarHBondContact CD2-OD1 3.5Å; L294-N349 PolarHBondContact O-ND2 3.33Å
295	D	80.8	Confident	87.4	Confident	71 Å²	71	46.5 Å²	46.5	38%	0.38	22%	0.224	S	C	.	.			trans	-68.1	129.9	-178.5	-175.4	14.7	0	0	0	111.4	H297 S298 R345	D295-H297 IonicContact OD1-CD2 2.85Å; D295-H297 PolarHBondContact OD1-N 3.12Å; D295-S298 VanDerWaalsContact CG-OG 3.3Å; D295-S298 VanDerWaalsContact OD2-CB 3.26Å; D295-S298 WeakPolarHBondContact OD2-CB 3.33Å; D295-S298 PolarHBondContact OD2-OG 2.78Å; D295-R345 PolarHBondContact O-NE 3.42Å
296	I	81.9	Confident	87.2	Confident	16 Å²	16	50.1 Å²	50.1	8%	0.082	24%	0.241	C	C	.	.	S	Bend	trans	-96.5	-15.7	-178.3	60.2	177.5	0	0	0	112.5	L256 D257 L294 I318 W323 R345	L256-I296 WeakPolarHBondContact O-CD1 3.34Å; D257-I296 HydrophobicContact CB-CD1 3.71Å; L294-I296 PolarHBondContact O-N 3.2Å; I296-I318 WeakPolarHBondContact O-CD1 3.26Å; I296-W323 PolarHBondContact O-NE1 2.72Å; I296-W323 VanDerWaalsContact O-NE1 3.13Å; I296-R345 HydrophobicContact CG2-CB 4.27Å
297	H	82	Confident	86.8	Confident	105 Å²	105	51.7 Å²	51.7	49%	0.486	25%	0.251	S	S	.	.	S	Bend	trans	-95.3	-9	-177.1	-60.6	-65.9	0	0	0	113.4	D295 I318	D295-H297 IonicContact OD1-CD2 2.85Å; D295-H297 PolarHBondContact OD1-N 3.12Å; H297-I318 VanDerWaalsContact CA-CD1 3.44Å; H297-I318 WeakPolarHBondContact O-CD1 3.49Å
298	S	82.7	Confident	86	Confident	37 Å²	37	54.2 Å²	54.2	26%	0.259	27%	0.267	S	S	.	.			trans	-119	139.4	175.9	63.4	0	0	0	0	112.6	D295 R345	D295-S298 VanDerWaalsContact CG-OG 3.3Å; D295-S298 VanDerWaalsContact OD2-CB 3.26Å; D295-S298 WeakPolarHBondContact OD2-CB 3.33Å; D295-S298 PolarHBondContact OD2-OG 2.78Å; S298-R345 PolarHBondContact O-NH2 2.83Å
299	F	89.1	Confident	85.1	Confident	10 Å²	10	58.1 Å²	58.1	4%	0.044	29%	0.289	C	S	.	.			trans	-153.5	126.1	167.3	178.6	-100.5	0	0	0	109.4	I238 A289 Q290 L316 T321 W323 I338	I238-F299 HydrophobicContact CD1-CE1 3.65Å; I238-F299 HydrophobicContact CD1-CZ 3.67Å; A289-F299 HydrophobicContact CB-CE2 4.31Å; A289-F299 HydrophobicContact CB-CZ 4.17Å; Q290-F299 HydrophobicContact CG-CD2 4.29Å; Q290-F299 HydrophobicContact CG-CE2 4.33Å; F299-L316 HydrophobicContact CE1-CB 3.98Å; F299-T321 HydrophobicContact CB-CG2 3.97Å; F299-T321 HydrophobicContact CD1-CG2 3.34Å; F299-T321 HydrophobicContact CD2-CG2 4.28Å; F299-T321 HydrophobicContact CE1-CG2 3.85Å; F299-T321 HydrophobicContact CG-CG2 3.59Å; F299-T321 HydrophobicContact CZ-CG2 4.5Å; F299-W323 HydrophobicContact CB-CH2 3.93Å; F299-W323 HydrophobicContact CB-CZ2 4.18Å; F299-W323 AromaticContact CD2-CH2 3.9Å; F299-W323 HydrophobicContact CD2-CH2 3.9Å; F299-W323 HydrophobicContact CG-CH2 4.02Å; F299-I338 HydrophobicContact CE2-CD1 3.94Å; F299-I338 HydrophobicContact CZ-CD1 4.17Å
300	E	86.8	Confident	84.5	Confident	147 Å²	147	63.6 Å²	63.6	69%	0.687	32%	0.324	S	S	*	.			trans	-116.1	128.8	171	-59.9	176.3	-177.6	0	0	109.3	Q290	Q290-E300 PolarHBondContact N-O 3.1Å
301	G	89.1	Confident	83.9	Confident	5 Å²	5	67.3 Å²	67.3	5%	0.052	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	166.7	174.9	0	0	0	0	0	111.1	Y288 L316	Y288-G301 CarbonylContact O-C 3.58Å; Y288-G301 WeakPolarHBondContact O-CA 3.43Å; G301-L316 PolarHBondContact N-O 2.88Å; G301-L316 WeakPolarHBondContact O-CA 3.46Å; G301-L316 WeakPolarHBondContact O-CB 3.17Å; G301-L316 PolarHBondContact O-N 3.3Å
302	N	89.4	Confident	83.4	Confident	86 Å²	86	65.2 Å²	65.2	46%	0.46	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.9	176.7	-70.3	-13.4	0	0	0	109.6	V287 Y288	V287-N302 WeakPolarHBondContact CA-O 3.43Å; Y288-N302 PolarHBondContact N-O 2.83Å; Y288-N302 PolarHBondContact O-N 2.7Å
303	F	90.5	Very high	83	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.3	168.4	-174.1	-84.9	0	0	0	108.7	L107 L240 V268 C270 T271 A285 V287 R305 E314 L316	L107-F303 HydrophobicContact CD1-CE2 3.77Å; L107-F303 HydrophobicContact CD1-CZ 4.39Å; L107-F303 HydrophobicContact CD2-CE2 4.06Å; L107-F303 HydrophobicContact CD2-CZ 4.35Å; L240-F303 HydrophobicContact CD2-CD2 4.49Å; L240-F303 HydrophobicContact CD2-CE2 3.98Å; V268-F303 HydrophobicContact CG1-CB 4.48Å; V268-F303 HydrophobicContact CG1-CD1 3.96Å; V268-F303 HydrophobicContact CG1-CD2 4.2Å; V268-F303 HydrophobicContact CG1-CE1 4.23Å; V268-F303 HydrophobicContact CG1-CE2 4.47Å; V268-F303 HydrophobicContact CG1-CG 3.96Å; V268-F303 HydrophobicContact CG1-CZ 4.48Å; V268-F303 HydrophobicContact CG2-CD2 4.48Å; C270-F303 WeakPolarHBondContact SG-CE1 3.44Å; T271-F303 HydrophobicContact CG2-CE1 4.43Å; T271-F303 HydrophobicContact CG2-CE2 4.35Å; T271-F303 HydrophobicContact CG2-CZ 3.77Å; A285-F303 HydrophobicContact CB-CE1 3.96Å; A285-F303 HydrophobicContact CB-CE2 4.22Å; A285-F303 HydrophobicContact CB-CZ 3.52Å; V287-F303 HydrophobicContact CG2-CD2 3.85Å; V287-F303 HydrophobicContact CG2-CE2 4.33Å; F303-R305 HydrophobicContact CE1-CB 4.21Å; F303-E314 HydrophobicContact CB-CB 4.44Å; F303-E314 PolarHBondContact N-O 3.28Å; F303-E314 PolarHBondContact O-N 3.47Å; F303-L316 HydrophobicContact CB-CD1 4.1Å; F303-L316 HydrophobicContact CB-CD2 3.98Å; F303-L316 HydrophobicContact CB-CG 4.04Å
304	T	87.9	Confident	82.9	Confident	11 Å²	11	69 Å²	69	7%	0.067	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.5	178.4	-61	0	0	0	0	109.6	A285 F286 E306 H313	A285-T304 WeakPolarHBondContact CA-O 3.48Å; A285-T304 WeakPolarHBondContact CB-O 3.41Å; F286-T304 HydrophobicContact CE1-CG2 3.8Å; F286-T304 HydrophobicContact CZ-CG2 3.79Å; F286-T304 PolarHBondContact N-O 2.8Å; F286-T304 PolarHBondContact O-N 3.27Å; T304-E306 HydrophobicContact CG2-CG 4.35Å; T304-H313 VanDerWaalsContact CG2-CE1 3.47Å; T304-H313 WeakPolarHBondContact CG2-CE1 3.49Å; T304-H313 PolarHBondContact OG1-ND1 3.21Å; T304-H313 VanDerWaalsContact OG1-ND1 3.16Å
305	R	87.8	Confident	83.2	Confident	40 Å²	40	69 Å²	69	15%	0.151	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.5	173	-174.9	178.1	177.6	-175.5	-4.9	109.7	A285 F303 D307 I312	A285-R305 HydrophobicContact CB-CB 4.49Å; F303-R305 HydrophobicContact CE1-CB 4.21Å; R305-D307 WeakPolarHBondContact CG-OD1 2.9Å; R305-D307 IonicContact CZ-OD2 2.64Å; R305-D307 VanDerWaalsContact NE-CG 3.28Å; R305-D307 IonicContact NE-OD1 2.95Å; R305-D307 PolarHBondContact NE-OD1 3.24Å; R305-D307 IonicContact NE-OD2 2.75Å; R305-D307 PolarHBondContact NE-OD2 3.14Å; R305-D307 IonicContact NH2-OD2 3.02Å; R305-D307 PolarHBondContact NH2-OD2 3.2Å; R305-I312 HydrophobicContact CB-CB 4.29Å; R305-I312 PolarHBondContact N-O 3.41Å; R305-I312 PolarHBondContact O-N 3.45Å
306	E	84.4	Confident	83.5	Confident	77 Å²	77	66 Å²	66	36%	0.36	34%	0.343	S	S	.	.			trans	-93.9	-15.6	-173	-64.8	-178	150	0	0	114	S284 F286 T304 V308	S284-E306 PolarHBondContact O-N 2.88Å; F286-E306 HydrophobicContact CE1-CG 4.11Å; F286-E306 WeakPolarHBondContact CE1-OE1 3.41Å; T304-E306 HydrophobicContact CG2-CG 4.35Å; E306-V308 VanDerWaalsContact C-N 3.28Å; E306-V308 PolarHBondContact O-N 2.84Å
307	D	79.3	Confident	83.8	Confident	71 Å²	71	67.5 Å²	67.5	38%	0.38	36%	0.355	S	S	.	.	S	Bend	trans	-79	-3	-173.9	55.5	-64.1	0	0	0	115	S284 R305	S284-D307 PolarHBondContact N-OD1 3.4Å; R305-D307 WeakPolarHBondContact CG-OD1 2.9Å; R305-D307 IonicContact CZ-OD2 2.64Å; R305-D307 VanDerWaalsContact NE-CG 3.28Å; R305-D307 IonicContact NE-OD1 2.95Å; R305-D307 PolarHBondContact NE-OD1 3.24Å; R305-D307 IonicContact NE-OD2 2.75Å; R305-D307 PolarHBondContact NE-OD2 3.14Å; R305-D307 IonicContact NH2-OD2 3.02Å; R305-D307 PolarHBondContact NH2-OD2 3.2Å
308	V	75.9	Confident	84.1	Confident	53 Å²	53	64.6 Å²	64.6	32%	0.321	34%	0.342	S	S	.	.	S	Bend	trans	-121.1	136.5	179.1	-175.8	0	0	0	0	109.3	E306 P310 Q311 I312	E306-V308 VanDerWaalsContact C-N 3.28Å; E306-V308 PolarHBondContact O-N 2.84Å; V308-P310 CarbonylContact C-O 3.55Å; V308-P310 CarbonylContact O-C 3.54Å; V308-P310 VanDerWaalsContact O-O 3.05Å; V308-Q311 WeakPolarHBondContact O-CA 3.44Å; V308-Q311 PolarHBondContact O-N 2.96Å; V308-I312 HydrophobicContact CB-CD1 4.42Å; V308-I312 HydrophobicContact CG1-CD1 4.47Å
309	E	71.8	Confident	84.4	Confident	190 Å²	190	66.6 Å²	66.6	89%	0.888	35%	0.351	S	S	*	.	S	Bend	trans	-103.6	123.7	170.4	-78.6	-178.1	170.2	0	0	110.1
310	P	77.4	Confident	84.5	Confident	115 Å²	115	66.8 Å²	66.8	75%	0.747	35%	0.352	S	S	*	.	S	Bend	cis	-70.5	154.6	-4.2	30.6	-34.9	0	0	0	112.9	V308 I312	V308-P310 CarbonylContact C-O 3.55Å; V308-P310 CarbonylContact O-C 3.54Å; V308-P310 VanDerWaalsContact O-O 3.05Å; P310-I312 PolarHBondContact O-N 3.45Å
311	Q	78.9	Confident	84.9	Confident	99 Å²	99	59.8 Å²	59.8	46%	0.463	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-56.6	132.3	178.1	-67.6	-174	-11.3	0	0	110.7	V308	V308-Q311 WeakPolarHBondContact O-CA 3.44Å; V308-Q311 PolarHBondContact O-N 2.96Å
312	I	81.1	Confident	85.1	Confident	64 Å²	64	59.6 Å²	59.6	33%	0.328	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.1	177.3	-59	172.2	0	0	0	107.5	R305 V308 P310	R305-I312 HydrophobicContact CB-CB 4.29Å; R305-I312 PolarHBondContact N-O 3.41Å; R305-I312 PolarHBondContact O-N 3.45Å; V308-I312 HydrophobicContact CB-CD1 4.42Å; V308-I312 HydrophobicContact CG1-CD1 4.47Å; P310-I312 PolarHBondContact O-N 3.45Å
313	H	80.6	Confident	85.3	Confident	121 Å²	121	55.9 Å²	55.9	56%	0.56	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.1	172.8	-59.5	-77.9	0	0	0	109.2	T304	T304-H313 VanDerWaalsContact CG2-CE1 3.47Å; T304-H313 WeakPolarHBondContact CG2-CE1 3.49Å; T304-H313 PolarHBondContact OG1-ND1 3.21Å; T304-H313 VanDerWaalsContact OG1-ND1 3.16Å
314	E	83.8	Confident	85.2	Confident	38 Å²	38	56.1 Å²	56.1	18%	0.178	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.3	176.5	-165.2	171.1	175.1	0	0	108.5	V268 S269 F303	V268-E314 WeakPolarHBondContact CG1-OE2 2.91Å; S269-E314 VanDerWaalsContact CB-OE1 3.3Å; S269-E314 WeakPolarHBondContact CB-OE1 3.47Å; S269-E314 PolarHBondContact N-OE1 3.36Å; S269-E314 VanDerWaalsContact N-OE1 3.08Å; S269-E314 PolarHBondContact N-OE2 2.91Å; S269-E314 PolarHBondContact OG-OE1 3.01Å; F303-E314 HydrophobicContact CB-CB 4.44Å; F303-E314 PolarHBondContact N-O 3.28Å; F303-E314 PolarHBondContact O-N 3.47Å
315	S	85.4	Confident	85.1	Confident	93 Å²	93	56.8 Å²	56.8	65%	0.65	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	128.4	174.7	57.3	0	0	0	0	109.5
316	L	87.9	Confident	85.2	Confident	7 Å²	7	55 Å²	55	4%	0.037	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.5	175.6	-58.8	175.3	0	0	0	109.8	I238 V268 V287 F299 G301 F303 N320	I238-L316 HydrophobicContact CD1-CD1 4.34Å; I238-L316 HydrophobicContact CG1-CD1 4.33Å; I238-L316 HydrophobicContact CG2-CD1 4.04Å; I238-L316 HydrophobicContact CG2-CD2 4.34Å; V268-L316 HydrophobicContact CG2-CD2 3.54Å; V287-L316 HydrophobicContact CG1-CD1 3.73Å; F299-L316 HydrophobicContact CE1-CB 3.98Å; G301-L316 PolarHBondContact N-O 2.88Å; G301-L316 WeakPolarHBondContact O-CA 3.46Å; G301-L316 WeakPolarHBondContact O-CB 3.17Å; G301-L316 PolarHBondContact O-N 3.3Å; F303-L316 HydrophobicContact CB-CD1 4.1Å; F303-L316 HydrophobicContact CB-CD2 3.98Å; F303-L316 HydrophobicContact CB-CG 4.04Å; L316-N320 HydrophobicContact CD2-CB 3.95Å
317	S	87.8	Confident	85.4	Confident	48 Å²	48	52.3 Å²	52.3	34%	0.336	29%	0.286	S	S	.	.			trans	-113.9	-176.7	173.9	71.3	0	0	0	0	110.5	D319 N320	S317-D319 PolarHBondContact O-N 3.21Å; S317-D319 PolarHBondContact OG-N 3.1Å; S317-N320 PolarHBondContact N-OD1 3.13Å; S317-N320 PolarHBondContact O-N 3.39Å; S317-N320 VanDerWaalsContact O-N 3.13Å; S317-N320 PolarHBondContact OG-OD1 2.66Å
318	I	88.2	Confident	85.8	Confident	44 Å²	44	49 Å²	49	23%	0.226	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-56	-29.5	173.7	-174.2	157.8	0	0	0	113.2	K265 I296 H297 N320 T321	K265-I318 PolarHBondContact NZ-O 3.49Å; I296-I318 WeakPolarHBondContact O-CD1 3.26Å; H297-I318 VanDerWaalsContact CA-CD1 3.44Å; H297-I318 WeakPolarHBondContact O-CD1 3.49Å; I318-N320 PolarHBondContact O-N 3.35Å; I318-T321 PolarHBondContact O-N 3.23Å; I318-T321 VanDerWaalsContact O-N 3.13Å; I318-T321 PolarHBondContact O-OG1 3.07Å
319	D	88.5	Confident	86.1	Confident	80 Å²	80	46.5 Å²	46.5	43%	0.428	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.9	-19.1	-178.1	-63.4	-23.2	0	0	0	112.5	K265 V266 S317	K265-D319 CarbonylContact C-O 3.52Å; K265-D319 VanDerWaalsContact CA-O 3.3Å; K265-D319 WeakPolarHBondContact CA-O 3.31Å; K265-D319 WeakPolarHBondContact CB-O 3.34Å; K265-D319 VanDerWaalsContact CD-O 3.3Å; K265-D319 WeakPolarHBondContact CD-O 3.22Å; V266-D319 PolarHBondContact N-O 2.83Å; S317-D319 PolarHBondContact O-N 3.21Å; S317-D319 PolarHBondContact OG-N 3.1Å
320	N	92.6	Very high	86.6	Confident	14 Å²	14	38.7 Å²	38.7	8%	0.075	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-95.4	8	178.1	-48.9	108.3	0	0	0	113.1	F239 V266 L316 S317 I318	F239-N320 WeakPolarHBondContact CB-O 3.27Å; F239-N320 PolarHBondContact N-O 3.02Å; V266-N320 PolarHBondContact O-ND2 2.85Å; L316-N320 HydrophobicContact CD2-CB 3.95Å; S317-N320 PolarHBondContact N-OD1 3.13Å; S317-N320 PolarHBondContact O-N 3.39Å; S317-N320 VanDerWaalsContact O-N 3.13Å; S317-N320 PolarHBondContact OG-OD1 2.66Å; I318-N320 PolarHBondContact O-N 3.35Å
321	T	93.7	Very high	86.8	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.1	-172.6	66.2	0	0	0	0	113.6	I238 K265 F299 I318 W323	I238-T321 HydrophobicContact CD1-CG2 3.81Å; K265-T321 WeakPolarHBondContact CD-O 3.39Å; K265-T321 VanDerWaalsContact CE-O 3.23Å; K265-T321 WeakPolarHBondContact CE-O 3.35Å; F299-T321 HydrophobicContact CB-CG2 3.97Å; F299-T321 HydrophobicContact CD1-CG2 3.34Å; F299-T321 HydrophobicContact CD2-CG2 4.28Å; F299-T321 HydrophobicContact CE1-CG2 3.85Å; F299-T321 HydrophobicContact CG-CG2 3.59Å; F299-T321 HydrophobicContact CZ-CG2 4.5Å; I318-T321 PolarHBondContact O-N 3.23Å; I318-T321 VanDerWaalsContact O-N 3.13Å; I318-T321 PolarHBondContact O-OG1 3.07Å; T321-W323 HydrophobicContact CG2-CH2 3.53Å; T321-W323 HydrophobicContact CG2-CZ2 4.07Å; T321-W323 HydrophobicContact CG2-CZ3 4.07Å; T321-W323 WeakPolarHBondContact OG1-CH2 3.47Å; T321-W323 WeakPolarHBondContact OG1-CZ2 3.43Å
322	L	94.4	Very high	87.3	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	108.2	179.9	-59.8	166.9	0	0	0	108.4	I233 D236 M237 F239 I251 K265 V333	I233-L322 HydrophobicContact CD1-CB 3.85Å; I233-L322 HydrophobicContact CD1-CD2 4.16Å; I233-L322 HydrophobicContact CG2-CB 4.4Å; D236-L322 WeakPolarHBondContact CA-O 3.37Å; M237-L322 HydrophobicContact CB-CB 4.27Å; M237-L322 HydrophobicContact CE-CB 4.22Å; M237-L322 HydrophobicContact CE-CD1 3.78Å; M237-L322 PolarHBondContact N-O 3.47Å; M237-L322 PolarHBondContact O-N 3.29Å; F239-L322 HydrophobicContact CB-CD1 3.82Å; F239-L322 HydrophobicContact CB-CD2 4.44Å; F239-L322 HydrophobicContact CB-CG 3.97Å; F239-L322 HydrophobicContact CD2-CD1 4.17Å; F239-L322 HydrophobicContact CG-CD1 4.18Å; F239-L322 HydrophobicContact CG-CG 4.48Å; I251-L322 HydrophobicContact CG2-CD2 3.89Å; K265-L322 HydrophobicContact CB-CD2 4.48Å; K265-L322 HydrophobicContact CG-CD2 4.27Å; L322-V333 HydrophobicContact CD1-CG1 3.26Å; L322-V333 HydrophobicContact CD2-CG1 4.32Å; L322-V333 HydrophobicContact CG-CG1 4.42Å
323	W	92.7	Very high	87.9	Confident	9 Å²	9	29 Å²	29	3%	0.034	17%	0.171	C	C	.	.			trans	-84	144.7	-176	-57.2	145.3	0	0	0	112.9	I233 D236 L256 I296 F299 T321 S325 A326	I233-W323 WeakPolarHBondContact CB-O 3.34Å; I233-W323 WeakPolarHBondContact CG2-O 3.44Å; D236-W323 HydrophobicContact CB-CE3 4.05Å; D236-W323 HydrophobicContact CB-CZ3 4.35Å; L256-W323 HydrophobicContact CD1-CB 3.48Å; L256-W323 VanDerWaalsContact CD1-CB 3.48Å; L256-W323 HydrophobicContact CD1-CG 4.35Å; I296-W323 PolarHBondContact O-NE1 2.72Å; I296-W323 VanDerWaalsContact O-NE1 3.13Å; F299-W323 HydrophobicContact CB-CH2 3.93Å; F299-W323 HydrophobicContact CB-CZ2 4.18Å; F299-W323 AromaticContact CD2-CH2 3.9Å; F299-W323 HydrophobicContact CD2-CH2 3.9Å; F299-W323 HydrophobicContact CG-CH2 4.02Å; T321-W323 HydrophobicContact CG2-CH2 3.53Å; T321-W323 HydrophobicContact CG2-CZ2 4.07Å; T321-W323 HydrophobicContact CG2-CZ3 4.07Å; T321-W323 WeakPolarHBondContact OG1-CH2 3.47Å; T321-W323 WeakPolarHBondContact OG1-CZ2 3.43Å; W323-S325 PolarHBondContact O-N 2.85Å; W323-A326 VanDerWaalsContact O-CB 3.28Å; W323-A326 WeakPolarHBondContact O-CB 3.41Å; W323-A326 PolarHBondContact O-N 3.17Å; W323-A326 VanDerWaalsContact O-N 3.12Å
324	A	90.1	Very high	88.5	Confident	5 Å²	5	23.8 Å²	23.8	4%	0.041	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	138.6	175.5	0	0	0	0	0	111.1	D236 A326 T344	D236-A324 WeakPolarHBondContact OD1-CB 3.47Å; D236-A324 PolarHBondContact OD1-N 3.28Å; A324-A326 VanDerWaalsContact C-N 3.25Å; A324-A326 PolarHBondContact O-N 2.92Å; A324-T344 HydrophobicContact CB-CG2 4Å
325	S	84.8	Confident	89	Confident	25 Å²	25	22 Å²	22	18%	0.175	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-6.9	-173.7	-49.2	0	0	0	0	116.7	I233 W323	I233-S325 PolarHBondContact O-N 3.34Å; W323-S325 PolarHBondContact O-N 2.85Å
326	A	89.1	Confident	89.4	Confident	2 Å²	2	17.6 Å²	17.6	2%	0.017	11%	0.109	C	C	.	.			trans	-66.9	151.3	167.5	0	0	0	0	0	110.4	R232 I233 I251 R252 T253 L256 W323 A324	R232-A326 CarbonylContact C-O 3.58Å; R232-A326 WeakPolarHBondContact CA-O 3.43Å; I233-A326 HydrophobicContact CD1-CB 3.79Å; I233-A326 PolarHBondContact N-O 3.03Å; I251-A326 HydrophobicContact CD1-CB 4.23Å; R252-A326 WeakPolarHBondContact O-CA 3.11Å; R252-A326 WeakPolarHBondContact O-CB 3.29Å; T253-A326 HydrophobicContact CG2-CB 4.23Å; L256-A326 HydrophobicContact CD1-CB 4.21Å; W323-A326 VanDerWaalsContact O-CB 3.28Å; W323-A326 WeakPolarHBondContact O-CB 3.41Å; W323-A326 PolarHBondContact O-N 3.17Å; W323-A326 VanDerWaalsContact O-N 3.12Å; A324-A326 VanDerWaalsContact C-N 3.25Å; A324-A326 PolarHBondContact O-N 2.92Å
327	V	88.6	Confident	89.7	Confident	21 Å²	21	17.2 Å²	17.2	13%	0.127	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.6	-176.8	-178.4	0	0	0	0	109.7	R232 I251 R252 A329	R232-V327 HydrophobicContact CG-CG2 3.94Å; I251-V327 CarbonylContact C-O 3.5Å; I251-V327 WeakPolarHBondContact CA-O 3.39Å; R252-V327 HydrophobicContact CB-CB 4.32Å; R252-V327 PolarHBondContact N-O 2.66Å; R252-V327 PolarHBondContact O-N 3.41Å; V327-A329 PolarHBondContact O-N 3.38Å
328	V	89.5	Confident	89.9	Confident	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.9	174.1	177.8	0	0	0	0	109	V227 N230 Q231 I233 V333	V227-V328 HydrophobicContact CB-CG2 4.04Å; V227-V328 HydrophobicContact CG1-CB 4.3Å; V227-V328 HydrophobicContact CG1-CG2 3.52Å; N230-V328 WeakPolarHBondContact CA-O 3.48Å; N230-V328 PolarHBondContact N-O 2.7Å; Q231-V328 PolarHBondContact O-N 2.99Å; I233-V328 HydrophobicContact CD1-CG2 4.34Å; I233-V328 HydrophobicContact CG1-CG2 4.2Å; V328-V333 HydrophobicContact CG1-CG2 3.77Å; V328-V333 HydrophobicContact CG2-CB 4.26Å; V328-V333 HydrophobicContact CG2-CG2 4.01Å
329	A	82	Confident	90.2	Very high	2 Å²	2	12.9 Å²	12.9	2%	0.017	8%	0.08	C	C	.	.			trans	-101.8	-36.6	-173.9	0	0	0	0	0	112.9	K229 F250 R252 W262 V327	K229-A329 VanDerWaalsContact CE-O 3.3Å; K229-A329 WeakPolarHBondContact CE-O 3.32Å; K229-A329 WeakPolarHBondContact CG-O 3.26Å; F250-A329 HydrophobicContact CB-CB 4.16Å; F250-A329 WeakPolarHBondContact O-CA 3.49Å; F250-A329 VanDerWaalsContact O-CB 3.3Å; F250-A329 WeakPolarHBondContact O-CB 3.45Å; F250-A329 PolarHBondContact O-N 2.83Å; R252-A329 HydrophobicContact CG-CB 4.22Å; W262-A329 HydrophobicContact CD2-CB 4.22Å; W262-A329 HydrophobicContact CE3-CB 3.78Å; W262-A329 HydrophobicContact CH2-CB 3.84Å; W262-A329 HydrophobicContact CZ2-CB 4.34Å; W262-A329 HydrophobicContact CZ3-CB 3.53Å; V327-A329 PolarHBondContact O-N 3.38Å
330	S	80.9	Confident	90.4	Very high	26 Å²	26	9.1 Å²	9.1	18%	0.182	6%	0.06	C	C	.	.	S	Bend	trans	-128.8	147.6	175.6	-172.2	0	0	0	0	111.9	E244 C249 F250	E244-S330 PolarHBondContact OE1-OG 2.94Å; C249-S330 PolarHBondContact SG-O 3.11Å; F250-S330 PolarHBondContact O-N 2.81Å
331	G	82.1	Confident	90.2	Very high	17 Å²	17	8.7 Å²	8.7	18%	0.175	6%	0.059	C	C	.	.	S	Bend	trans	65.8	-163.3	173.5	0	0	0	0	0	114.8	K229	K229-G331 PolarHBondContact N-O 2.95Å
332	T	89.9	Confident	89.9	Confident	56 Å²	56	16.4 Å²	16.4	34%	0.344	9%	0.092	S	C	.	.			trans	-117.9	140.4	172.9	57.1	0	0	0	0	109.2	T242 S243	T242-T332 WeakPolarHBondContact CA-O 3.41Å; T242-T332 WeakPolarHBondContact CB-O 3.3Å; T242-T332 PolarHBondContact OG1-O 3.43Å; S243-T332 WeakPolarHBondContact CB-OG1 3.44Å; S243-T332 PolarHBondContact N-O 3.23Å; S243-T332 PolarHBondContact OG-N 3.17Å; S243-T332 VanDerWaalsContact OG-N 3.08Å; S243-T332 PolarHBondContact OG-OG1 3.47Å
333	V	93.3	Very high	89.7	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.6	-173.4	174	0	0	0	0	109.9	I226 V227 F239 C249 L322 V328	I226-V333 CarbonylContact C-O 3.57Å; I226-V333 WeakPolarHBondContact CA-O 3.34Å; V227-V333 PolarHBondContact N-O 2.92Å; V227-V333 PolarHBondContact O-N 3.48Å; F239-V333 HydrophobicContact CD2-CG1 3.62Å; F239-V333 HydrophobicContact CE2-CB 4.27Å; F239-V333 HydrophobicContact CE2-CG1 3.68Å; F239-V333 HydrophobicContact CE2-CG2 4.11Å; F239-V333 HydrophobicContact CZ-CG2 4.46Å; C249-V333 HydrophobicContact CB-CG2 4.05Å; C249-V333 WeakPolarHBondContact SG-CG2 3.35Å; L322-V333 HydrophobicContact CD1-CG1 3.26Å; L322-V333 HydrophobicContact CD2-CG1 4.32Å; L322-V333 HydrophobicContact CG-CG1 4.42Å; V328-V333 HydrophobicContact CG1-CG2 3.77Å; V328-V333 HydrophobicContact CG2-CB 4.26Å; V328-V333 HydrophobicContact CG2-CG2 4.01Å
334	I	93.9	Very high	89.5	Confident	13 Å²	13	17 Å²	17	7%	0.067	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.7	171.7	-51.3	-176.6	0	0	0	108	I225 I226 L240 R241 V277	I225-I334 WeakPolarHBondContact O-CA 3.48Å; I226-I334 HydrophobicContact CG1-CG1 4.27Å; L240-I334 PolarHBondContact N-O 2.82Å; R241-I334 HydrophobicContact CB-CB 4.33Å; R241-I334 PolarHBondContact N-O 3.33Å; R241-I334 PolarHBondContact O-N 2.93Å; V277-I334 HydrophobicContact CG1-CD1 3.61Å; V277-I334 HydrophobicContact CG2-CD1 4.21Å
335	G	93.9	Very high	89.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.7	178.5	0	0	0	0	0	113.8	L224 I225 I238	L224-G335 WeakPolarHBondContact CA-O 3.45Å; I225-G335 PolarHBondContact N-O 3.02Å; I225-G335 PolarHBondContact O-N 3.3Å; I238-G335 CarbonylContact O-C 3.37Å; I238-G335 WeakPolarHBondContact O-CA 3.34Å
336	V	93.4	Very high	89.1	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.4	172.7	59.3	0	0	0	0	110.3	V105 L224 M237 I238 L240 V287	V105-V336 HydrophobicContact CG1-CG2 4.06Å; L224-V336 HydrophobicContact CD2-CB 3.81Å; L224-V336 HydrophobicContact CD2-CG2 4.29Å; M237-V336 CarbonylContact C-O 3.51Å; M237-V336 WeakPolarHBondContact CA-O 3.38Å; M237-V336 WeakPolarHBondContact CB-O 3.33Å; I238-V336 HydrophobicContact CB-CG1 3.89Å; I238-V336 PolarHBondContact N-O 3.4Å; I238-V336 PolarHBondContact O-N 2.84Å; L240-V336 HydrophobicContact CD1-CB 3.89Å; L240-V336 HydrophobicContact CD1-CG1 3.96Å; L240-V336 HydrophobicContact CD2-CG1 4.22Å; L240-V336 HydrophobicContact CG-CG1 4.2Å; V287-V336 HydrophobicContact CG2-CG1 4.2Å
337	V	93.9	Very high	88.7	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.4	-178.3	179.1	0	0	0	0	111	I219 G222 D223 I225 A235 M237 T340	I219-V337 HydrophobicContact CG2-CG1 4.35Å; I219-V337 HydrophobicContact CG2-CG2 3.82Å; G222-V337 PolarHBondContact N-O 2.74Å; D223-V337 HydrophobicContact CB-CG2 4.46Å; D223-V337 WeakPolarHBondContact O-CG2 3.34Å; D223-V337 PolarHBondContact O-N 3.13Å; I225-V337 HydrophobicContact CG1-CG2 3.72Å; A235-V337 HydrophobicContact CB-CG1 3.73Å; A235-V337 HydrophobicContact CB-CG2 4.42Å; M237-V337 HydrophobicContact CG-CG2 4.04Å; M237-V337 HydrophobicContact SD-CG2 4.1Å; V337-T340 HydrophobicContact CG1-CG2 3.51Å
338	I	93.3	Very high	88.4	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-38.3	179.6	55	167.4	0	0	0	113.6	R103 V105 D236 I238 F299	R103-I338 PolarHBondContact NH1-O 3.46Å; V105-I338 HydrophobicContact CG2-CG2 4.33Å; D236-I338 HydrophobicContact CB-CG1 4.2Å; D236-I338 WeakPolarHBondContact O-CG1 3.4Å; D236-I338 PolarHBondContact O-N 2.95Å; I238-I338 HydrophobicContact CD1-CD1 3.96Å; I238-I338 HydrophobicContact CG1-CD1 4.23Å; I238-I338 HydrophobicContact CG1-CG2 3.92Å; F299-I338 HydrophobicContact CE2-CD1 3.94Å; F299-I338 HydrophobicContact CZ-CD1 4.17Å
339	Y	93.4	Very high	87.7	Confident	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.4	177.5	-46.6	-58.8	0	0	0	111.3	A235 D236 Q290 P292 T344	A235-Y339 WeakPolarHBondContact CB-O 3.18Å; D236-Y339 HydrophobicContact CB-CD2 3.83Å; D236-Y339 HydrophobicContact CB-CG 4.41Å; D236-Y339 PolarHBondContact N-O 2.99Å; D236-Y339 VanDerWaalsContact N-O 3.11Å; D236-Y339 PolarHBondContact O-N 3.34Å; Q290-Y339 PolarHBondContact O-OH 2.89Å; P292-Y339 HydrophobicContact CB-CD1 4.42Å; P292-Y339 HydrophobicContact CB-CE1 4.36Å; P292-Y339 HydrophobicContact CG-CD1 3.72Å; P292-Y339 HydrophobicContact CG-CE1 3.63Å; P292-Y339 HydrophobicContact CG-CG 4.38Å; Y339-T344 WeakPolarHBondContact O-CG2 3.43Å
340	T	92.9	Very high	87.3	Confident	1 Å²	1	24 Å²	24	1%	0.006	13%	0.134	C	C	.	.			trans	-128.1	149.7	-174.7	48.6	0	0	0	0	112.1	P118 N120 V221 A235 V337 K342 E343	P118-T340 WeakPolarHBondContact CG-O 3.45Å; P118-T340 PolarHBondContact O-OG1 3.42Å; N120-T340 HydrophobicContact CB-CG2 4.22Å; V221-T340 HydrophobicContact CG2-CG2 3.9Å; A235-T340 HydrophobicContact CB-CG2 4.34Å; V337-T340 HydrophobicContact CG1-CG2 3.51Å; T340-K342 PolarHBondContact O-N 3Å; T340-E343 PolarHBondContact O-N 3.3Å; T340-E343 VanDerWaalsContact O-N 3.16Å
341	G	89.3	Confident	86.6	Confident	4 Å²	4	24.3 Å²	24.3	4%	0.041	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	53.4	-118.1	173.4	0	0	0	0	0	113.5	N120 E343 T344	N120-G341 PolarHBondContact OD1-N 3.48Å; G341-E343 PolarHBondContact O-N 3.29Å; G341-T344 PolarHBondContact O-N 3.42Å; G341-T344 PolarHBondContact O-OG1 2.96Å
342	K	86.1	Confident	85.9	Confident	162 Å²	162	31.6 Å²	31.6	70%	0.704	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-66.6	-14.5	-175.6	-62.3	-175.8	-178.5	180	0	115	T340 L348	T340-K342 PolarHBondContact O-N 3Å; K342-L348 WeakPolarHBondContact O-CD2 3.2Å
343	E	90.4	Very high	84.7	Confident	18 Å²	18	31.7 Å²	31.7	8%	0.084	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-94.1	-7.7	-179.9	-69	174.1	-177.4	0	0	112.6	M100 R103 P118 P292 T340 G341	M100-E343 HydrophobicContact SD-CG 4.05Å; R103-E343 IonicContact CZ-OE2 3.07Å; R103-E343 IonicContact NH1-OE2 3.34Å; R103-E343 PolarHBondContact NH1-OE2 2.88Å; R103-E343 IonicContact NH2-OE1 3.52Å; R103-E343 IonicContact NH2-OE2 3.61Å; R103-E343 PolarHBondContact NH2-OE2 3.41Å; P118-E343 VanDerWaalsContact CD-CD 3.45Å; P118-E343 VanDerWaalsContact CD-OE1 3.3Å; P118-E343 WeakPolarHBondContact CD-OE1 3.38Å; P118-E343 HydrophobicContact CG-CB 4.38Å; P118-E343 VanDerWaalsContact CG-CD 3.46Å; P118-E343 HydrophobicContact CG-CG 3.8Å; P292-E343 HydrophobicContact CG-CB 4.19Å; P292-E343 HydrophobicContact CG-CG 4.47Å; T340-E343 PolarHBondContact O-N 3.3Å; T340-E343 VanDerWaalsContact O-N 3.16Å; G341-E343 PolarHBondContact O-N 3.29Å
344	T	89.6	Confident	83.5	Confident	4 Å²	4	39 Å²	39	3%	0.025	20%	0.204	C	C	.	.	S	Bend	trans	-67.9	144	174.5	60.5	0	0	0	0	111.4	D236 A324 Y339 G341 S346 V347 L348	D236-T344 WeakPolarHBondContact OD2-CA 3.48Å; A324-T344 HydrophobicContact CB-CG2 4Å; Y339-T344 WeakPolarHBondContact O-CG2 3.43Å; G341-T344 PolarHBondContact O-N 3.42Å; G341-T344 PolarHBondContact O-OG1 2.96Å; T344-S346 VanDerWaalsContact C-N 3.29Å; T344-S346 PolarHBondContact O-N 3.46Å; T344-V347 PolarHBondContact O-N 3.15Å; T344-V347 VanDerWaalsContact O-N 3.15Å; T344-V347 VanDerWaalsContact OG1-CG2 3.31Å; T344-V347 WeakPolarHBondContact OG1-CG2 3.36Å; T344-L348 WeakPolarHBondContact O-CG 3.41Å; T344-L348 PolarHBondContact O-N 3.43Å
345	R	86.3	Confident	82.4	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-57.6	-40	179.7	-72.5	-179.4	166.7	85.1	-12.1	113.3	D236 D295 I296 S298 V347 L348 N349	D236-R345 PolarHBondContact OD2-N 3.04Å; D295-R345 PolarHBondContact O-NE 3.42Å; I296-R345 HydrophobicContact CG2-CB 4.27Å; S298-R345 PolarHBondContact O-NH2 2.83Å; R345-V347 VanDerWaalsContact C-N 3.35Å; R345-V347 PolarHBondContact O-N 3.34Å; R345-L348 PolarHBondContact O-N 3.25Å; R345-N349 PolarHBondContact O-N 2.65Å; R345-N349 PolarHBondContact O-ND2 2.96Å
346	S	79.7	Confident	81.8	Confident	17 Å²	17	43.1 Å²	43.1	12%	0.119	22%	0.224	C	C	.	.	H	α-helix	trans	-55.9	-46.6	176.2	174.3	0	0	0	0	112.2	T344 T350	T344-S346 VanDerWaalsContact C-N 3.29Å; T344-S346 PolarHBondContact O-N 3.46Å; S346-T350 PolarHBondContact O-N 3.49Å; S346-T350 PolarHBondContact O-OG1 3.47Å
347	V	81.2	Confident	81.4	Confident	53 Å²	53	45.9 Å²	45.9	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-75.5	-33.8	-179.9	178.2	0	0	0	0	111.7	T344 R345 N349 T350	T344-V347 PolarHBondContact O-N 3.15Å; T344-V347 VanDerWaalsContact O-N 3.15Å; T344-V347 VanDerWaalsContact OG1-CG2 3.31Å; T344-V347 WeakPolarHBondContact OG1-CG2 3.36Å; R345-V347 VanDerWaalsContact C-N 3.35Å; R345-V347 PolarHBondContact O-N 3.34Å; V347-N349 VanDerWaalsContact C-N 3.31Å; V347-N349 PolarHBondContact O-N 2.84Å; V347-T350 PolarHBondContact O-N 3.09Å; V347-T350 VanDerWaalsContact O-N 3.14Å
348	L	80.8	Confident	81	Confident	47 Å²	47	45.9 Å²	45.9	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-37.4	176	-70.2	171.8	0	0	0	112.3	M100 P292 L294 K342 T344 R345 T350	M100-L348 HydrophobicContact CE-CD1 3.84Å; M100-L348 HydrophobicContact CE-CD2 3.54Å; M100-L348 HydrophobicContact CE-CG 4.34Å; P292-L348 HydrophobicContact CB-CD1 4.15Å; L294-L348 HydrophobicContact CD2-CB 3.83Å; L294-L348 VanDerWaalsContact CD2-O 3.3Å; L294-L348 WeakPolarHBondContact CD2-O 3.27Å; K342-L348 WeakPolarHBondContact O-CD2 3.2Å; T344-L348 WeakPolarHBondContact O-CG 3.41Å; T344-L348 PolarHBondContact O-N 3.43Å; R345-L348 PolarHBondContact O-N 3.25Å; L348-T350 VanDerWaalsContact C-N 3.29Å
349	N	75.6	Confident	80.8	Confident	30 Å²	30	47.8 Å²	47.8	16%	0.16	25%	0.251	C	S	.	.	H	α-helix	trans	-79.4	-10.2	175.6	-76	-48	0	0	0	113.5	L294 R345 V347	L294-N349 WeakPolarHBondContact CD2-OD1 3.5Å; L294-N349 PolarHBondContact O-ND2 3.33Å; R345-N349 PolarHBondContact O-N 2.65Å; R345-N349 PolarHBondContact O-ND2 2.96Å; V347-N349 VanDerWaalsContact C-N 3.31Å; V347-N349 PolarHBondContact O-N 2.84Å
350	T	72.8	Confident	80.6	Confident	54 Å²	54	47.9 Å²	47.9	33%	0.331	25%	0.251	S	S	.	.	S	Bend	trans	-86	130.7	176.6	-58.2	0	0	0	0	111.2	S346 V347 L348 V866	S346-T350 PolarHBondContact O-N 3.49Å; S346-T350 PolarHBondContact O-OG1 3.47Å; V347-T350 PolarHBondContact O-N 3.09Å; V347-T350 VanDerWaalsContact O-N 3.14Å; L348-T350 VanDerWaalsContact C-N 3.29Å; T350-V866 HydrophobicContact CG2-CG1 4.01Å
351	S	67.2	Low	80.4	Confident	33 Å²	33	48.4 Å²	48.4	23%	0.231	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-74.2	155.6	174.7	-77.7	0	0	0	0	112.2	Q870	S351-Q870 PolarHBondContact O-OE1 2.96Å
352	H	67.1	Low	80.3	Confident	170 Å²	170	52 Å²	52	79%	0.787	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-75.6	133.5	173.3	-68.5	-53.5	0	0	0	111	K354	H352-K354 PolarHBondContact O-N 3.33Å
353	A	64	Low	80.5	Confident	58 Å²	58	46 Å²	46	48%	0.479	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-57.2	127.6	174.8	0	0	0	0	0	111.4
354	K	68.4	Low	80.4	Confident	153 Å²	153	45.5 Å²	45.5	67%	0.665	24%	0.244	S	C	*	.			trans	-113.2	156.5	177	-68.3	-179.3	-176.6	176	0	110.9	H352 K356	H352-K354 PolarHBondContact O-N 3.33Å; K354-K356 PolarHBondContact O-N 3.38Å
355	N	72.3	Confident	80.3	Confident	64 Å²	64	46.4 Å²	46.4	34%	0.342	25%	0.249	S	C	.	.			trans	-79.3	110.9	168.1	-75.3	-14.4	0	0	0	109.7	K126 Q139	K126-N355 WeakPolarHBondContact CE-OD1 3.25Å; K126-N355 PolarHBondContact NZ-OD1 3.08Å; Q139-N355 PolarHBondContact NE2-ND2 3.26Å; Q139-N355 PolarHBondContact OE1-ND2 3.28Å
356	K	81.3	Confident	80.4	Confident	36 Å²	36	55.3 Å²	55.3	16%	0.157	28%	0.283	C	S	.	.			trans	-78.9	134.6	172.6	-56.7	-166.1	-175.1	-173.7	0	109.5	K354 I442 I869 A872 D873 D891	K354-K356 PolarHBondContact O-N 3.38Å; K356-I442 HydrophobicContact CB-CG2 4.1Å; K356-I442 HydrophobicContact CD-CD1 4.28Å; K356-I869 PolarHBondContact NZ-O 3.48Å; K356-A872 VanDerWaalsContact CE-O 3.25Å; K356-A872 WeakPolarHBondContact CE-O 3.2Å; K356-A872 PolarHBondContact NZ-O 2.65Å; K356-D873 WeakPolarHBondContact CD-O 3.3Å; K356-D891 WeakPolarHBondContact CD-OD2 3.22Å; K356-D891 VanDerWaalsContact CE-OD2 3.31Å; K356-D891 WeakPolarHBondContact CE-OD2 3.43Å; K356-D891 IonicContact NZ-OD2 3.89Å; K356-D891 PolarHBondContact NZ-OD2 3.27Å
357	V	83.1	Confident	80.9	Confident	58 Å²	58	55 Å²	55	35%	0.352	28%	0.28	S	S	.	.			trans	-120.7	129.4	179.7	179.4	0	0	0	0	107.8	F143 D361 L362	F143-V357 HydrophobicContact CE1-CG1 4.19Å; F143-V357 HydrophobicContact CZ-CG1 4.17Å; F143-V357 HydrophobicContact CZ-CG2 4.17Å; V357-D361 HydrophobicContact CG1-CB 4.15Å; V357-L362 HydrophobicContact CG1-CD2 4.36Å; V357-L362 HydrophobicContact CG1-CG 4.42Å
358	G	86.2	Confident	81.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.			trans	-67.6	149.5	179.3	0	0	0	0	0	113.4	L360 D361 L362 E445	G358-L360 VanDerWaalsContact C-N 3.27Å; G358-L360 PolarHBondContact O-N 3.34Å; G358-D361 PolarHBondContact O-N 2.81Å; G358-L362 PolarHBondContact O-N 2.79Å; G358-E445 VanDerWaalsContact C-OE1 3.29Å; G358-E445 VanDerWaalsContact CA-CD 3.47Å; G358-E445 WeakPolarHBondContact CA-OE1 3.1Å
359	L	89.8	Confident	81.7	Confident	40 Å²	40	53.9 Å²	53.9	21%	0.209	27%	0.268	C	S	.	.	H	α-helix	trans	-55.1	-42.5	167.6	-170.3	58.3	0	0	0	112	D361 L362 E363 E445 R855	L359-D361 VanDerWaalsContact C-N 3.26Å; L359-D361 PolarHBondContact O-N 3.38Å; L359-L362 WeakPolarHBondContact O-CA 3.17Å; L359-L362 WeakPolarHBondContact O-CB 3.46Å; L359-L362 PolarHBondContact O-N 3.46Å; L359-E363 HydrophobicContact CG-CG 4.36Å; L359-E363 WeakPolarHBondContact O-CG 3.24Å; L359-E363 PolarHBondContact O-N 2.8Å; L359-E445 WeakPolarHBondContact CB-OE1 3.43Å; L359-E445 PolarHBondContact N-OE1 3.06Å; L359-E445 PolarHBondContact N-OE2 3.17Å; L359-R855 VanDerWaalsContact CB-NH2 3.27Å; L359-R855 HydrophobicContact CD2-CG 4.43Å
360	L	89.6	Confident	82.4	Confident	2 Å²	2	54 Å²	54	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-38.5	-179.3	-176.4	138	0	0	0	111.3	G358 L362 E363 L364 L415 E444 Y912 L995	G358-L360 VanDerWaalsContact C-N 3.27Å; G358-L360 PolarHBondContact O-N 3.34Å; L360-L362 VanDerWaalsContact C-N 3.34Å; L360-L362 PolarHBondContact O-N 2.89Å; L360-E363 PolarHBondContact O-N 2.87Å; L360-L364 HydrophobicContact CD2-CD1 3.53Å; L360-L364 HydrophobicContact CD2-CG 4.29Å; L360-L364 HydrophobicContact CG-CD1 4.34Å; L360-L364 WeakPolarHBondContact O-CB 3.49Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 2.94Å; L360-L415 HydrophobicContact CD2-CD2 4.42Å; L360-E444 HydrophobicContact CB-CG 3.92Å; L360-Y912 HydrophobicContact CD1-CD2 3.88Å; L360-Y912 HydrophobicContact CD1-CE2 3.93Å; L360-L995 HydrophobicContact CG-CD2 4.18Å
361	D	88.5	Confident	83.3	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.064	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-38.8	174.3	-79.8	2.2	0	0	0	111.8	V357 G358 L359 N365 R412 K419	V357-D361 HydrophobicContact CG1-CB 4.15Å; G358-D361 PolarHBondContact O-N 2.81Å; L359-D361 VanDerWaalsContact C-N 3.26Å; L359-D361 PolarHBondContact O-N 3.38Å; D361-N365 VanDerWaalsContact O-CB 3.28Å; D361-N365 WeakPolarHBondContact O-CB 3.32Å; D361-N365 PolarHBondContact O-N 2.84Å; D361-R412 IonicContact OD1-NH1 3.9Å; D361-R412 IonicContact OD2-CZ 2.93Å; D361-R412 IonicContact OD2-NH1 2.61Å; D361-R412 PolarHBondContact OD2-NH1 3.44Å; D361-R412 IonicContact OD2-NH2 3.49Å; D361-R412 PolarHBondContact OD2-NH2 3.45Å; D361-K419 IonicContact OD1-NZ 2.96Å; D361-K419 PolarHBondContact OD1-NZ 2.71Å; D361-K419 IonicContact OD2-NZ 3.74Å; D361-K419 PolarHBondContact OD2-NZ 2.83Å
362	L	87.4	Confident	84.5	Confident	79 Å²	79	52.6 Å²	52.6	41%	0.414	26%	0.259	S	S	.	.	H	α-helix	trans	-69.7	-40.3	176.9	-63.2	175.2	0	0	0	112.2	V357 G358 L359 L360 N365 R366	V357-L362 HydrophobicContact CG1-CD2 4.36Å; V357-L362 HydrophobicContact CG1-CG 4.42Å; G358-L362 PolarHBondContact O-N 2.79Å; L359-L362 WeakPolarHBondContact O-CA 3.17Å; L359-L362 WeakPolarHBondContact O-CB 3.46Å; L359-L362 PolarHBondContact O-N 3.46Å; L360-L362 VanDerWaalsContact C-N 3.34Å; L360-L362 PolarHBondContact O-N 2.89Å; L362-N365 PolarHBondContact O-N 2.99Å; L362-R366 PolarHBondContact O-N 3.34Å
363	E	89.5	Confident	85.7	Confident	37 Å²	37	49.5 Å²	49.5	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-47.2	175.3	-72.7	177.9	166.5	0	0	110.8	L359 L360 N365 R366 L367 R448 L995	L359-E363 HydrophobicContact CG-CG 4.36Å; L359-E363 WeakPolarHBondContact O-CG 3.24Å; L359-E363 PolarHBondContact O-N 2.8Å; L360-E363 PolarHBondContact O-N 2.87Å; E363-N365 VanDerWaalsContact C-N 3.33Å; E363-N365 PolarHBondContact O-N 3.25Å; E363-R366 WeakPolarHBondContact O-CA 3.43Å; E363-R366 VanDerWaalsContact O-CB 3.32Å; E363-R366 WeakPolarHBondContact O-CB 3.44Å; E363-R366 PolarHBondContact O-N 3.41Å; E363-R366 VanDerWaalsContact O-N 3.09Å; E363-L367 PolarHBondContact O-N 3.31Å; E363-R448 IonicContact OE1-NH1 2.72Å; E363-L995 HydrophobicContact CB-CD2 3.93Å
364	L	88.3	Confident	87	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-42.2	174.3	-74.7	172.9	0	0	0	112	L360 R366 L367 T368 L415 M923 L995	L360-L364 HydrophobicContact CD2-CD1 3.53Å; L360-L364 HydrophobicContact CD2-CG 4.29Å; L360-L364 HydrophobicContact CG-CD1 4.34Å; L360-L364 WeakPolarHBondContact O-CB 3.49Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 2.94Å; L364-R366 PolarHBondContact O-N 3.01Å; L364-L367 PolarHBondContact O-N 3.47Å; L364-L367 VanDerWaalsContact O-N 3.1Å; L364-T368 PolarHBondContact O-N 3.38Å; L364-T368 PolarHBondContact O-OG1 3.07Å; L364-T368 VanDerWaalsContact O-OG1 3.08Å; L364-L415 HydrophobicContact CD1-CD1 3.19Å; L364-L415 HydrophobicContact CD1-CD2 4.47Å; L364-L415 HydrophobicContact CD1-CG 4.46Å; L364-M923 HydrophobicContact CD2-CE 3.82Å; L364-L995 HydrophobicContact CD2-CD1 4.1Å; L364-L995 HydrophobicContact CD2-CD2 3.84Å; L364-L995 HydrophobicContact CG-CD2 3.84Å
365	N	88.2	Confident	88.2	Confident	23 Å²	23	42 Å²	42	12%	0.123	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-35.1	175.4	-170.9	48.7	0	0	0	111.9	F144 D361 L362 E363 K369	F144-N365 WeakPolarHBondContact CB-OD1 3.47Å; D361-N365 VanDerWaalsContact O-CB 3.28Å; D361-N365 WeakPolarHBondContact O-CB 3.32Å; D361-N365 PolarHBondContact O-N 2.84Å; L362-N365 PolarHBondContact O-N 2.99Å; E363-N365 VanDerWaalsContact C-N 3.33Å; E363-N365 PolarHBondContact O-N 3.25Å; N365-K369 WeakPolarHBondContact O-CG 3.48Å; N365-K369 PolarHBondContact O-N 3.5Å; N365-K369 VanDerWaalsContact O-N 3.15Å
366	R	88.4	Confident	89.2	Confident	188 Å²	188	42 Å²	42	71%	0.709	21%	0.214	S	C	*	.	H	α-helix	trans	-67.4	-42.1	173.3	-167.7	-174.6	-61.4	178.1	1.4	111.8	L362 E363 L364 K369 A370	L362-R366 PolarHBondContact O-N 3.34Å; E363-R366 WeakPolarHBondContact O-CA 3.43Å; E363-R366 VanDerWaalsContact O-CB 3.32Å; E363-R366 WeakPolarHBondContact O-CB 3.44Å; E363-R366 PolarHBondContact O-N 3.41Å; E363-R366 VanDerWaalsContact O-N 3.09Å; L364-R366 PolarHBondContact O-N 3.01Å; R366-K369 PolarHBondContact O-N 3.35Å; R366-A370 PolarHBondContact O-N 3.47Å
367	L	89.6	Confident	89.8	Confident	11 Å²	11	44 Å²	44	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-41.5	175.5	-65.4	179.2	0	0	0	112	E363 L364 K369 A370 L371 M923 L995 F997 F1000	E363-L367 PolarHBondContact O-N 3.31Å; L364-L367 PolarHBondContact O-N 3.47Å; L364-L367 VanDerWaalsContact O-N 3.1Å; L367-K369 VanDerWaalsContact C-N 3.31Å; L367-K369 PolarHBondContact O-N 3.04Å; L367-A370 WeakPolarHBondContact O-CA 3.39Å; L367-A370 WeakPolarHBondContact O-CB 3.39Å; L367-A370 PolarHBondContact O-N 3.2Å; L367-L371 PolarHBondContact O-N 3.13Å; L367-M923 HydrophobicContact CB-SD 4.49Å; L367-M923 HydrophobicContact CD1-CE 4.14Å; L367-L995 HydrophobicContact CD1-CD1 4.15Å; L367-L995 HydrophobicContact CD1-CG 4.07Å; L367-F997 HydrophobicContact CD2-CD2 4.17Å; L367-F1000 HydrophobicContact CD1-CB 4.37Å; L367-F1000 HydrophobicContact CD1-CD2 4.19Å; L367-F1000 HydrophobicContact CD1-CG 4.36Å; L367-F1000 HydrophobicContact CD2-CB 4.1Å; L367-F1000 HydrophobicContact CD2-CD1 3.99Å; L367-F1000 HydrophobicContact CD2-CD2 4.29Å; L367-F1000 HydrophobicContact CD2-CG 3.85Å
368	T	88.8	Confident	90.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-40.9	174.3	-62.4	0	0	0	0	112.1	F144 L145 L364 A370 L371 F372 I407	F144-T368 HydrophobicContact CD1-CG2 4.08Å; F144-T368 HydrophobicContact CE1-CG2 4.27Å; L145-T368 HydrophobicContact CB-CG2 4.28Å; L145-T368 HydrophobicContact CD1-CG2 3.59Å; L364-T368 PolarHBondContact O-N 3.38Å; L364-T368 PolarHBondContact O-OG1 3.07Å; L364-T368 VanDerWaalsContact O-OG1 3.08Å; T368-A370 VanDerWaalsContact C-N 3.31Å; T368-A370 PolarHBondContact O-N 3.38Å; T368-L371 PolarHBondContact O-N 3.3Å; T368-F372 PolarHBondContact O-N 2.61Å; T368-I407 HydrophobicContact CG2-CD1 4.11Å; T368-I407 HydrophobicContact CG2-CG2 3.78Å
369	K	90.3	Very high	90.6	Very high	74 Å²	74	43.8 Å²	43.8	32%	0.322	23%	0.226	S	C	.	.	H	α-helix	trans	-62.7	-38.7	174.4	-71.2	173.5	-175	-173.8	0	112	F144 N365 R366 L367 F372 L373	F144-K369 HydrophobicContact CD1-CG 3.75Å; F144-K369 HydrophobicContact CE1-CG 4.04Å; F144-K369 HydrophobicContact CG-CG 4.11Å; N365-K369 WeakPolarHBondContact O-CG 3.48Å; N365-K369 PolarHBondContact O-N 3.5Å; N365-K369 VanDerWaalsContact O-N 3.15Å; R366-K369 PolarHBondContact O-N 3.35Å; L367-K369 VanDerWaalsContact C-N 3.31Å; L367-K369 PolarHBondContact O-N 3.04Å; K369-F372 PolarHBondContact O-N 3.31Å; K369-L373 PolarHBondContact O-N 3.22Å; K369-L373 VanDerWaalsContact O-N 3.1Å
370	A	90.8	Very high	90.8	Very high	34 Å²	34	45.5 Å²	45.5	28%	0.281	23%	0.234	S	C	.	.	H	α-helix	trans	-66.7	-41.3	175	0	0	0	0	0	112	R366 L367 T368 L373 A374 F997	R366-A370 PolarHBondContact O-N 3.47Å; L367-A370 WeakPolarHBondContact O-CA 3.39Å; L367-A370 WeakPolarHBondContact O-CB 3.39Å; L367-A370 PolarHBondContact O-N 3.2Å; T368-A370 VanDerWaalsContact C-N 3.31Å; T368-A370 PolarHBondContact O-N 3.38Å; A370-L373 PolarHBondContact O-N 3.49Å; A370-A374 PolarHBondContact O-N 3.4Å; A370-F997 HydrophobicContact CB-CE2 4.33Å
371	L	90.9	Very high	91	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-41.3	173.6	-76.4	173.6	0	0	0	112.3	L367 T368 L373 A374 Q375 I406 I407 M923 M927 F1000	L367-L371 PolarHBondContact O-N 3.13Å; T368-L371 PolarHBondContact O-N 3.3Å; L371-L373 VanDerWaalsContact C-N 3.33Å; L371-L373 PolarHBondContact O-N 2.98Å; L371-A374 PolarHBondContact O-N 2.92Å; L371-Q375 WeakPolarHBondContact O-CB 3.36Å; L371-Q375 PolarHBondContact O-N 3.2Å; L371-I406 HydrophobicContact CB-CG2 4.09Å; L371-I406 HydrophobicContact CD2-CG2 3.75Å; L371-I406 HydrophobicContact CG-CG2 4.4Å; L371-I407 HydrophobicContact CB-CD1 4.42Å; L371-I407 HydrophobicContact CB-CG1 3.98Å; L371-M923 HydrophobicContact CD1-CG 4.25Å; L371-M923 HydrophobicContact CD1-SD 3.89Å; L371-M927 HydrophobicContact CD2-CG 4.4Å; L371-M927 HydrophobicContact CD2-SD 3.83Å; L371-F1000 HydrophobicContact CD1-CE2 4.13Å; L371-F1000 HydrophobicContact CD1-CZ 4.25Å; L371-F1000 HydrophobicContact CD2-CE2 4.02Å; L371-F1000 HydrophobicContact CD2-CZ 3.49Å; L371-F1000 VanDerWaalsContact CD2-CZ 3.49Å; L371-F1000 HydrophobicContact CG-CE2 4.05Å; L371-F1000 HydrophobicContact CG-CZ 3.64Å
372	F	92.3	Very high	91.2	Very high	51 Å²	51	48.3 Å²	48.3	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-42.1	175	175	-104.5	0	0	0	112	F144 Y148 T368 K369 Q375 L376 I407	F144-F372 HydrophobicContact CE1-CB 3.93Å; F144-F372 HydrophobicContact CE1-CG 4.16Å; F144-F372 HydrophobicContact CZ-CB 3.99Å; F144-F372 AromaticContact CZ-CD1 3.74Å; F144-F372 HydrophobicContact CZ-CD1 3.74Å; F144-F372 HydrophobicContact CZ-CD2 4.23Å; F144-F372 HydrophobicContact CZ-CE1 4.28Å; F144-F372 AromaticContact CZ-CG 3.71Å; F144-F372 HydrophobicContact CZ-CG 3.71Å; Y148-F372 AromaticContact CD2-CD2 3.71Å; Y148-F372 HydrophobicContact CD2-CD2 3.71Å; Y148-F372 AromaticContact CD2-CE2 3.85Å; Y148-F372 HydrophobicContact CD2-CE2 3.85Å; Y148-F372 AromaticContact CE2-CD2 3.52Å; Y148-F372 HydrophobicContact CE2-CD2 3.52Å; Y148-F372 AromaticContact CE2-CE2 3.7Å; Y148-F372 HydrophobicContact CE2-CE2 3.7Å; T368-F372 PolarHBondContact O-N 2.61Å; K369-F372 PolarHBondContact O-N 3.31Å; F372-Q375 WeakPolarHBondContact O-CB 3.38Å; F372-Q375 PolarHBondContact O-N 3.23Å; F372-L376 PolarHBondContact O-N 3.05Å; F372-I407 HydrophobicContact CB-CD1 3.87Å
373	L	92.8	Very high	91.4	Very high	104 Å²	104	44.7 Å²	44.7	55%	0.545	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-44.2	174.5	-176.7	65.2	0	0	0	111.2	K369 A370 L371 Q375 L376 V377	K369-L373 PolarHBondContact O-N 3.22Å; K369-L373 VanDerWaalsContact O-N 3.1Å; A370-L373 PolarHBondContact O-N 3.49Å; L371-L373 VanDerWaalsContact C-N 3.33Å; L371-L373 PolarHBondContact O-N 2.98Å; L373-Q375 VanDerWaalsContact C-N 3.34Å; L373-Q375 PolarHBondContact O-N 3.24Å; L373-L376 PolarHBondContact O-N 3.29Å; L373-V377 WeakPolarHBondContact O-CG2 3.29Å; L373-V377 PolarHBondContact O-N 2.87Å
374	A	91.2	Very high	91.5	Very high	53 Å²	53	45 Å²	45	44%	0.438	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-40.5	176.5	0	0	0	0	0	112.3	A370 L371 V377 L378	A370-A374 PolarHBondContact O-N 3.4Å; L371-A374 PolarHBondContact O-N 2.92Å; A374-V377 PolarHBondContact O-N 2.93Å; A374-L378 WeakPolarHBondContact O-CB 3.41Å; A374-L378 PolarHBondContact O-N 2.86Å
375	Q	93.1	Very high	91.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-44.4	174.6	179.9	-168.7	-24.4	0	0	111.8	Y148 L371 F372 L373 L378 S379 V400 F403 I406	Y148-Q375 PolarHBondContact OH-NE2 3.21Å; Y148-Q375 PolarHBondContact OH-OE1 3.32Å; L371-Q375 WeakPolarHBondContact O-CB 3.36Å; L371-Q375 PolarHBondContact O-N 3.2Å; F372-Q375 WeakPolarHBondContact O-CB 3.38Å; F372-Q375 PolarHBondContact O-N 3.23Å; L373-Q375 VanDerWaalsContact C-N 3.34Å; L373-Q375 PolarHBondContact O-N 3.24Å; Q375-L378 PolarHBondContact O-N 2.78Å; Q375-S379 WeakPolarHBondContact O-CB 3.49Å; Q375-S379 PolarHBondContact O-N 2.92Å; Q375-S379 PolarHBondContact O-OG 3.07Å; Q375-V400 PolarHBondContact NE2-O 3.05Å; Q375-F403 HydrophobicContact CG-CB 3.88Å; Q375-I406 HydrophobicContact CB-CD1 3.9Å; Q375-I406 HydrophobicContact CG-CD1 4.15Å
376	L	93.6	Very high	91.6	Very high	65 Å²	65	51.2 Å²	51.2	34%	0.34	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-46.3	177.1	-175.3	70.5	0	0	0	110.9	F372 L373 S379 I380 V400	F372-L376 PolarHBondContact O-N 3.05Å; L373-L376 PolarHBondContact O-N 3.29Å; L376-S379 PolarHBondContact O-N 2.83Å; L376-I380 HydrophobicContact CG-CD1 4.04Å; L376-I380 VanDerWaalsContact O-CG1 3.29Å; L376-I380 WeakPolarHBondContact O-CG1 3.4Å; L376-I380 PolarHBondContact O-N 2.63Å; L376-V400 HydrophobicContact CD1-CG2 4.27Å
377	V	94.4	Very high	91.5	Very high	78 Å²	78	44.4 Å²	44.4	47%	0.473	26%	0.261	S	S	.	.	H	α-helix	trans	-59.8	-48.1	177.4	171.7	0	0	0	0	110.8	L373 A374 S379 I380 V381	L373-V377 WeakPolarHBondContact O-CG2 3.29Å; L373-V377 PolarHBondContact O-N 2.87Å; A374-V377 PolarHBondContact O-N 2.93Å; V377-S379 VanDerWaalsContact C-N 3.31Å; V377-S379 PolarHBondContact O-N 2.93Å; V377-I380 PolarHBondContact O-N 3.1Å; V377-V381 HydrophobicContact CG1-CG2 4.38Å; V377-V381 WeakPolarHBondContact O-CG2 3.44Å; V377-V381 PolarHBondContact O-N 3.39Å
378	L	92.6	Very high	91.4	Very high	52 Å²	52	49.1 Å²	49.1	27%	0.272	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-44.1	177.4	-178	62.7	0	0	0	111.3	A374 Q375 I380 V381 M382 F403 I406 A934	A374-L378 WeakPolarHBondContact O-CB 3.41Å; A374-L378 PolarHBondContact O-N 2.86Å; Q375-L378 PolarHBondContact O-N 2.78Å; L378-I380 VanDerWaalsContact C-N 3.34Å; L378-I380 PolarHBondContact O-N 2.86Å; L378-V381 PolarHBondContact O-N 2.95Å; L378-M382 VanDerWaalsContact O-CG 3.32Å; L378-M382 WeakPolarHBondContact O-CG 3.49Å; L378-M382 PolarHBondContact O-N 3.38Å; L378-F403 HydrophobicContact CD2-CD1 4Å; L378-F403 HydrophobicContact CD2-CD2 4.05Å; L378-F403 HydrophobicContact CD2-CE1 4.01Å; L378-F403 HydrophobicContact CD2-CE2 4.06Å; L378-F403 HydrophobicContact CD2-CG 4.02Å; L378-F403 HydrophobicContact CD2-CZ 4.04Å; L378-F403 HydrophobicContact CG-CD2 4.12Å; L378-F403 HydrophobicContact CG-CE2 3.89Å; L378-F403 HydrophobicContact CG-CZ 4.15Å; L378-I406 HydrophobicContact CD2-CD1 4.19Å; L378-A934 HydrophobicContact CD2-CB 4.48Å
379	S	93.6	Very high	90.8	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-40.8	177.7	-54.8	0	0	0	0	112.2	Q375 L376 V377 M382 V383 V400	Q375-S379 WeakPolarHBondContact O-CB 3.49Å; Q375-S379 PolarHBondContact O-N 2.92Å; Q375-S379 PolarHBondContact O-OG 3.07Å; L376-S379 PolarHBondContact O-N 2.83Å; V377-S379 VanDerWaalsContact C-N 3.31Å; V377-S379 PolarHBondContact O-N 2.93Å; S379-M382 PolarHBondContact O-N 3.09Å; S379-V383 WeakPolarHBondContact O-CG2 3.03Å; S379-V383 PolarHBondContact O-N 3.14Å; S379-V400 WeakPolarHBondContact OG-CA 3.3Å; S379-V400 PolarHBondContact OG-N 3.11Å
380	I	93.8	Very high	90.3	Very high	77 Å²	77	53 Å²	53	40%	0.395	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-44.3	175.8	-67.8	165.9	0	0	0	110.6	L376 V377 L378 M382 V383 A384 L396	L376-I380 HydrophobicContact CG-CD1 4.04Å; L376-I380 VanDerWaalsContact O-CG1 3.29Å; L376-I380 WeakPolarHBondContact O-CG1 3.4Å; L376-I380 PolarHBondContact O-N 2.63Å; V377-I380 PolarHBondContact O-N 3.1Å; L378-I380 VanDerWaalsContact C-N 3.34Å; L378-I380 PolarHBondContact O-N 2.86Å; I380-M382 VanDerWaalsContact C-N 3.33Å; I380-M382 PolarHBondContact O-N 3.42Å; I380-V383 PolarHBondContact O-N 2.9Å; I380-A384 WeakPolarHBondContact O-CB 3.29Å; I380-A384 PolarHBondContact O-N 2.93Å; I380-L396 HydrophobicContact CB-CD1 4.48Å; I380-L396 HydrophobicContact CG1-CD1 3.76Å
381	V	93.4	Very high	90.1	Very high	68 Å²	68	54.9 Å²	54.9	41%	0.412	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-44.6	178	170	0	0	0	0	110.7	V377 L378 V383 A384 L385	V377-V381 HydrophobicContact CG1-CG2 4.38Å; V377-V381 WeakPolarHBondContact O-CG2 3.44Å; V377-V381 PolarHBondContact O-N 3.39Å; L378-V381 PolarHBondContact O-N 2.95Å; V381-V383 PolarHBondContact O-N 3.26Å; V381-A384 PolarHBondContact O-N 2.92Å; V381-L385 HydrophobicContact CG1-CD1 3.93Å; V381-L385 HydrophobicContact CG1-CG 4.33Å; V381-L385 WeakPolarHBondContact O-CB 3.44Å; V381-L385 VanDerWaalsContact O-CG 3.3Å; V381-L385 WeakPolarHBondContact O-CG 3.49Å; V381-L385 PolarHBondContact O-N 3.47Å
382	M	91.8	Very high	89.8	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-62.2	-41.1	178.4	-64.7	-59.5	-84.1	0	0	112.4	L378 S379 I380 Q386 F399 F403 S937 F942	L378-M382 VanDerWaalsContact O-CG 3.32Å; L378-M382 WeakPolarHBondContact O-CG 3.49Å; L378-M382 PolarHBondContact O-N 3.38Å; S379-M382 PolarHBondContact O-N 3.09Å; I380-M382 VanDerWaalsContact C-N 3.33Å; I380-M382 PolarHBondContact O-N 3.42Å; M382-Q386 WeakPolarHBondContact O-CB 3.38Å; M382-Q386 PolarHBondContact O-N 3.49Å; M382-F399 HydrophobicContact CB-CD1 4.08Å; M382-F399 HydrophobicContact CB-CD2 4.19Å; M382-F399 HydrophobicContact CB-CE1 4.03Å; M382-F399 HydrophobicContact CB-CE2 4.13Å; M382-F399 HydrophobicContact CB-CG 4.16Å; M382-F399 HydrophobicContact CB-CZ 4.05Å; M382-F399 HydrophobicContact CE-CE1 4.37Å; M382-F399 HydrophobicContact CG-CD1 4.42Å; M382-F399 HydrophobicContact CG-CE1 4.46Å; M382-F403 HydrophobicContact CE-CZ 4.38Å; M382-F403 HydrophobicContact CG-CE2 3.76Å; M382-F403 HydrophobicContact CG-CZ 3.91Å; M382-S937 VanDerWaalsContact CE-CB 3.46Å; M382-F942 HydrophobicContact CE-CD1 3.9Å; M382-F942 HydrophobicContact CE-CE1 4.43Å; M382-F942 HydrophobicContact SD-CD1 4.21Å; M382-F942 HydrophobicContact SD-CE1 4.42Å
383	V	92.3	Very high	89.6	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-69.8	-36.7	176.3	176.4	0	0	0	0	112	S379 I380 V381 Q386 G387 F388 W392 N395 L396 F399	S379-V383 WeakPolarHBondContact O-CG2 3.03Å; S379-V383 PolarHBondContact O-N 3.14Å; I380-V383 PolarHBondContact O-N 2.9Å; V381-V383 PolarHBondContact O-N 3.26Å; V383-Q386 WeakPolarHBondContact O-CB 3.01Å; V383-Q386 PolarHBondContact O-N 3.37Å; V383-G387 PolarHBondContact O-N 3.41Å; V383-F388 HydrophobicContact CG1-CD1 3.79Å; V383-F388 HydrophobicContact CG1-CE1 4Å; V383-F388 PolarHBondContact O-N 3.43Å; V383-W392 HydrophobicContact CG1-CB 4.15Å; V383-N395 HydrophobicContact CG2-CB 4.4Å; V383-L396 HydrophobicContact CG2-CB 4.08Å; V383-L396 HydrophobicContact CG2-CD1 4.22Å; V383-F399 HydrophobicContact CG2-CD2 3.62Å; V383-F399 HydrophobicContact CG2-CE2 4.11Å
384	A	91.5	Very high	89.4	Confident	45 Å²	45	64.4 Å²	64.4	37%	0.372	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-42.8	176.7	0	0	0	0	0	111.3	I380 V381 Q386 G387 F388	I380-A384 WeakPolarHBondContact O-CB 3.29Å; I380-A384 PolarHBondContact O-N 2.93Å; V381-A384 PolarHBondContact O-N 2.92Å; A384-Q386 VanDerWaalsContact C-N 3.31Å; A384-Q386 PolarHBondContact O-N 3.34Å; A384-G387 WeakPolarHBondContact O-CA 3.46Å; A384-G387 PolarHBondContact O-N 3.4Å; A384-F388 HydrophobicContact CB-CE2 3.85Å; A384-F388 HydrophobicContact CB-CZ 3.78Å
385	L	90.6	Very high	89.2	Confident	103 Å²	103	63.1 Å²	63.1	54%	0.539	35%	0.347	S	S	.	.	H	α-helix	trans	-66.7	-31.2	174.7	-68.4	174.4	0	0	0	112.6	V381 G387 F942	V381-L385 HydrophobicContact CG1-CD1 3.93Å; V381-L385 HydrophobicContact CG1-CG 4.33Å; V381-L385 WeakPolarHBondContact O-CB 3.44Å; V381-L385 VanDerWaalsContact O-CG 3.3Å; V381-L385 WeakPolarHBondContact O-CG 3.49Å; V381-L385 PolarHBondContact O-N 3.47Å; L385-G387 PolarHBondContact O-N 2.9Å; L385-F942 HydrophobicContact CB-CD1 4.02Å; L385-F942 HydrophobicContact CB-CD2 4.43Å; L385-F942 HydrophobicContact CB-CE1 3.7Å; L385-F942 HydrophobicContact CB-CE2 4.13Å; L385-F942 HydrophobicContact CB-CG 4.39Å; L385-F942 HydrophobicContact CB-CZ 3.76Å; L385-F942 HydrophobicContact CD1-CE1 3.67Å; L385-F942 HydrophobicContact CD1-CZ 4.02Å; L385-F942 HydrophobicContact CG-CE1 4.33Å; L385-F942 HydrophobicContact CG-CZ 4.43Å
386	Q	87.9	Confident	89.1	Confident	58 Å²	58	64.2 Å²	64.2	27%	0.271	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.6	170.2	-164.4	-179.2	23.5	0	0	112.9	M382 V383 A384 N395 F942	M382-Q386 WeakPolarHBondContact O-CB 3.38Å; M382-Q386 PolarHBondContact O-N 3.49Å; V383-Q386 WeakPolarHBondContact O-CB 3.01Å; V383-Q386 PolarHBondContact O-N 3.37Å; A384-Q386 VanDerWaalsContact C-N 3.31Å; A384-Q386 PolarHBondContact O-N 3.34Å; Q386-N395 PolarHBondContact OE1-ND2 3.42Å; Q386-N395 VanDerWaalsContact OE1-ND2 3.17Å; Q386-F942 HydrophobicContact CB-CB 3.96Å; Q386-F942 HydrophobicContact CG-CB 4.19Å
387	G	86	Confident	88.9	Confident	45 Å²	45	66 Å²	66	46%	0.464	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	22.2	176.5	0	0	0	0	0	115.5	V383 A384 L385 V389	V383-G387 PolarHBondContact O-N 3.41Å; A384-G387 WeakPolarHBondContact O-CA 3.46Å; A384-G387 PolarHBondContact O-N 3.4Å; L385-G387 PolarHBondContact O-N 2.9Å; G387-V389 WeakPolarHBondContact O-CG2 3.29Å; G387-V389 PolarHBondContact O-N 3.01Å
388	F	87	Confident	88.7	Confident	110 Å²	110	66 Å²	66	48%	0.482	35%	0.349	S	S	.	.	S	Bend	trans	52.1	28.5	-179.5	-61.6	-80	0	0	0	114.9	V383 A384 W392	V383-F388 HydrophobicContact CG1-CD1 3.79Å; V383-F388 HydrophobicContact CG1-CE1 4Å; V383-F388 PolarHBondContact O-N 3.43Å; A384-F388 HydrophobicContact CB-CE2 3.85Å; A384-F388 HydrophobicContact CB-CZ 3.78Å; F388-W392 HydrophobicContact CB-CB 4.41Å; F388-W392 HydrophobicContact CD1-CB 4.24Å; F388-W392 HydrophobicContact CD1-CD2 4.47Å; F388-W392 HydrophobicContact CD1-CG 4.38Å
389	V	78.1	Confident	88.7	Confident	104 Å²	104	63.5 Å²	63.5	63%	0.63	34%	0.336	S	S	*	.			trans	-76.6	134.6	-176.3	-173.3	0	0	0	0	111	G387	G387-V389 WeakPolarHBondContact O-CG2 3.29Å; G387-V389 PolarHBondContact O-N 3.01Å
390	G	79.5	Confident	88.6	Confident	53 Å²	53	64.6 Å²	64.6	55%	0.546	34%	0.343	S	S	.	.	S	Bend	trans	75.4	-153.3	177.2	0	0	0	0	0	114	W392	G390-W392 PolarHBondContact O-N 3.12Å
391	P	85	Confident	88.5	Confident	72 Å²	72	61.2 Å²	61.2	47%	0.468	33%	0.326	S	S	.	.	S	Bend	trans	-73.8	71.8	176.7	32.1	-34.7	0	0	0	110.5	F393 R394 N395	P391-F393 PolarHBondContact O-N 2.91Å; P391-R394 HydrophobicContact CB-CB 4.35Å; P391-R394 HydrophobicContact CB-CG 4.01Å; P391-R394 HydrophobicContact CG-CB 4.49Å; P391-R394 HydrophobicContact CG-CG 4.45Å; P391-R394 WeakPolarHBondContact O-CB 3.34Å; P391-R394 PolarHBondContact O-N 3.14Å; P391-N395 PolarHBondContact O-N 3.25Å
392	W	86.2	Confident	88.4	Confident	104 Å²	104	58.4 Å²	58.4	39%	0.394	31%	0.308	S	S	.	.	H	α-helix	trans	-51.9	-33.5	-174.9	63.7	-95.4	0	0	0	113.3	V383 F388 G390 R394 N395 L396	V383-W392 HydrophobicContact CG1-CB 4.15Å; F388-W392 HydrophobicContact CB-CB 4.41Å; F388-W392 HydrophobicContact CD1-CB 4.24Å; F388-W392 HydrophobicContact CD1-CD2 4.47Å; F388-W392 HydrophobicContact CD1-CG 4.38Å; G390-W392 PolarHBondContact O-N 3.12Å; W392-R394 VanDerWaalsContact C-N 3.33Å; W392-R394 PolarHBondContact O-N 3.44Å; W392-N395 PolarHBondContact O-N 2.87Å; W392-L396 HydrophobicContact CZ3-CD2 4.3Å; W392-L396 WeakPolarHBondContact O-CB 3.2Å; W392-L396 PolarHBondContact O-N 3.39Å
393	F	87.6	Confident	88.4	Confident	112 Å²	112	58.2 Å²	58.2	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-38.1	174.9	-112.3	-69.5	0	0	0	112.5	P391 L396 F397	P391-F393 PolarHBondContact O-N 2.91Å; F393-L396 HydrophobicContact CD1-CD2 4.49Å; F393-L396 WeakPolarHBondContact O-CB 3.27Å; F393-L396 PolarHBondContact O-N 3.2Å; F393-F397 HydrophobicContact CD1-CD2 4.23Å; F393-F397 AromaticContact CD1-CE2 3.77Å; F393-F397 HydrophobicContact CD1-CE2 3.77Å; F393-F397 HydrophobicContact CE1-CE2 4.23Å; F393-F397 WeakPolarHBondContact O-CD2 3.32Å; F393-F397 PolarHBondContact O-N 2.67Å
394	R	88.2	Confident	88.2	Confident	146 Å²	146	58.4 Å²	58.4	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-67.3	-43.6	176.5	-62.7	-179	-172.5	172.9	0.8	110.4	P391 W392 L396 F397 R398	P391-R394 HydrophobicContact CB-CB 4.35Å; P391-R394 HydrophobicContact CB-CG 4.01Å; P391-R394 HydrophobicContact CG-CB 4.49Å; P391-R394 HydrophobicContact CG-CG 4.45Å; P391-R394 WeakPolarHBondContact O-CB 3.34Å; P391-R394 PolarHBondContact O-N 3.14Å; W392-R394 VanDerWaalsContact C-N 3.33Å; W392-R394 PolarHBondContact O-N 3.44Å; R394-L396 VanDerWaalsContact C-N 3.31Å; R394-L396 PolarHBondContact O-N 3.11Å; R394-F397 PolarHBondContact O-N 3.22Å; R394-R398 VanDerWaalsContact O-CG 3.31Å; R394-R398 WeakPolarHBondContact O-CG 3.45Å; R394-R398 PolarHBondContact O-N 2.85Å
395	N	87.3	Confident	88	Confident	26 Å²	26	58.7 Å²	58.7	14%	0.139	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-38.6	176.1	-70.1	-5.3	0	0	0	111.2	V383 Q386 P391 W392 R398 F399	V383-N395 HydrophobicContact CG2-CB 4.4Å; Q386-N395 PolarHBondContact OE1-ND2 3.42Å; Q386-N395 VanDerWaalsContact OE1-ND2 3.17Å; P391-N395 PolarHBondContact O-N 3.25Å; W392-N395 PolarHBondContact O-N 2.87Å; N395-R398 PolarHBondContact O-N 3.41Å; N395-F399 WeakPolarHBondContact O-CD2 2.95Å; N395-F399 PolarHBondContact O-N 3.36Å
396	L	90.6	Very high	88.1	Confident	23 Å²	23	54.4 Å²	54.4	12%	0.12	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-51.2	174.1	-179.5	64.9	0	0	0	111.7	I380 V383 W392 F393 R394 R398 F399 V400	I380-L396 HydrophobicContact CB-CD1 4.48Å; I380-L396 HydrophobicContact CG1-CD1 3.76Å; V383-L396 HydrophobicContact CG2-CB 4.08Å; V383-L396 HydrophobicContact CG2-CD1 4.22Å; W392-L396 HydrophobicContact CZ3-CD2 4.3Å; W392-L396 WeakPolarHBondContact O-CB 3.2Å; W392-L396 PolarHBondContact O-N 3.39Å; F393-L396 HydrophobicContact CD1-CD2 4.49Å; F393-L396 WeakPolarHBondContact O-CB 3.27Å; F393-L396 PolarHBondContact O-N 3.2Å; R394-L396 VanDerWaalsContact C-N 3.31Å; R394-L396 PolarHBondContact O-N 3.11Å; L396-R398 VanDerWaalsContact C-N 3.28Å; L396-R398 PolarHBondContact O-N 2.61Å; L396-F399 PolarHBondContact O-N 3.16Å; L396-V400 WeakPolarHBondContact O-CG2 3.5Å; L396-V400 PolarHBondContact O-N 3.44Å
397	F	90.6	Very high	88.2	Confident	102 Å²	102	51.7 Å²	51.7	45%	0.447	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-35.3	176.6	-82	-70.8	0	0	0	112.4	L161 F393 R394 V400 V401	L161-F397 HydrophobicContact CD2-CB 3.65Å; L161-F397 HydrophobicContact CD2-CG 4.32Å; F393-F397 HydrophobicContact CD1-CD2 4.23Å; F393-F397 AromaticContact CD1-CE2 3.77Å; F393-F397 HydrophobicContact CD1-CE2 3.77Å; F393-F397 HydrophobicContact CE1-CE2 4.23Å; F393-F397 WeakPolarHBondContact O-CD2 3.32Å; F393-F397 PolarHBondContact O-N 2.67Å; R394-F397 PolarHBondContact O-N 3.22Å; F397-V400 PolarHBondContact O-N 3.27Å; F397-V401 WeakPolarHBondContact O-CG2 3.28Å; F397-V401 PolarHBondContact O-N 2.72Å
398	R	90.1	Very high	88.2	Confident	78 Å²	78	50 Å²	50	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-45	173.2	-71.8	176.2	73.9	-177.2	2.1	111.2	I163 R394 N395 L396 V400 V401 L402 S944	I163-R398 HydrophobicContact CD1-CB 4.03Å; I163-R398 HydrophobicContact CD1-CG 4.46Å; I163-R398 WeakPolarHBondContact CD1-O 3.11Å; I163-R398 HydrophobicContact CG1-CB 4.46Å; I163-R398 HydrophobicContact CG1-CG 4.4Å; R394-R398 VanDerWaalsContact O-CG 3.31Å; R394-R398 WeakPolarHBondContact O-CG 3.45Å; R394-R398 PolarHBondContact O-N 2.85Å; N395-R398 PolarHBondContact O-N 3.41Å; L396-R398 VanDerWaalsContact C-N 3.28Å; L396-R398 PolarHBondContact O-N 2.61Å; R398-V400 VanDerWaalsContact C-N 3.33Å; R398-V400 PolarHBondContact O-N 3.31Å; R398-V401 PolarHBondContact O-N 3.21Å; R398-L402 WeakPolarHBondContact O-CB 3.46Å; R398-L402 PolarHBondContact O-N 2.78Å; R398-S944 PolarHBondContact NE-OG 3.23Å; R398-S944 PolarHBondContact NH2-O 3.03Å; R398-S944 PolarHBondContact NH2-OG 3.47Å
399	F	92	Very high	88	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-37.8	174.4	-79.2	-63.7	0	0	0	112.8	M382 V383 N395 L396 V401 L402 F403 F942	M382-F399 HydrophobicContact CB-CD1 4.08Å; M382-F399 HydrophobicContact CB-CD2 4.19Å; M382-F399 HydrophobicContact CB-CE1 4.03Å; M382-F399 HydrophobicContact CB-CE2 4.13Å; M382-F399 HydrophobicContact CB-CG 4.16Å; M382-F399 HydrophobicContact CB-CZ 4.05Å; M382-F399 HydrophobicContact CE-CE1 4.37Å; M382-F399 HydrophobicContact CG-CD1 4.42Å; M382-F399 HydrophobicContact CG-CE1 4.46Å; V383-F399 HydrophobicContact CG2-CD2 3.62Å; V383-F399 HydrophobicContact CG2-CE2 4.11Å; N395-F399 WeakPolarHBondContact O-CD2 2.95Å; N395-F399 PolarHBondContact O-N 3.36Å; L396-F399 PolarHBondContact O-N 3.16Å; F399-V401 PolarHBondContact O-N 3.47Å; F399-L402 HydrophobicContact CD1-CD2 3.94Å; F399-L402 HydrophobicContact CE1-CD2 4.16Å; F399-L402 PolarHBondContact O-N 3.19Å; F399-F403 HydrophobicContact CB-CD2 4.28Å; F399-F403 HydrophobicContact CB-CE2 4.18Å; F399-F403 AromaticContact CD1-CE2 3.77Å; F399-F403 HydrophobicContact CD1-CE2 3.77Å; F399-F403 HydrophobicContact CD1-CZ 4.22Å; F399-F403 HydrophobicContact CG-CE2 4.36Å; F399-F403 WeakPolarHBondContact O-CB 3.32Å; F399-F403 WeakPolarHBondContact O-CD2 3.36Å; F399-F403 PolarHBondContact O-N 3.49Å; F399-F942 WeakPolarHBondContact CZ-O 3.45Å
400	V	92.1	Very high	88.4	Confident	24 Å²	24	42 Å²	42	15%	0.145	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-47.8	174.8	170.5	0	0	0	0	110.7	Q375 L376 S379 L396 F397 R398 S404	Q375-V400 PolarHBondContact NE2-O 3.05Å; L376-V400 HydrophobicContact CD1-CG2 4.27Å; S379-V400 WeakPolarHBondContact OG-CA 3.3Å; S379-V400 PolarHBondContact OG-N 3.11Å; L396-V400 WeakPolarHBondContact O-CG2 3.5Å; L396-V400 PolarHBondContact O-N 3.44Å; F397-V400 PolarHBondContact O-N 3.27Å; R398-V400 VanDerWaalsContact C-N 3.33Å; R398-V400 PolarHBondContact O-N 3.31Å; V400-S404 PolarHBondContact O-N 3.18Å; V400-S404 VanDerWaalsContact O-N 3.14Å
401	V	90.6	Very high	88.7	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-41.4	176.7	171	0	0	0	0	110.9	I163 Y169 F397 R398 F399 F403 S404	I163-V401 HydrophobicContact CB-CG1 4.42Å; I163-V401 HydrophobicContact CD1-CB 3.65Å; I163-V401 HydrophobicContact CD1-CG1 3.65Å; I163-V401 HydrophobicContact CG1-CG1 4.16Å; Y169-V401 HydrophobicContact CE1-CG1 4.17Å; F397-V401 WeakPolarHBondContact O-CG2 3.28Å; F397-V401 PolarHBondContact O-N 2.72Å; R398-V401 PolarHBondContact O-N 3.21Å; F399-V401 PolarHBondContact O-N 3.47Å; V401-F403 VanDerWaalsContact C-N 3.33Å; V401-F403 PolarHBondContact O-N 3.42Å; V401-S404 WeakPolarHBondContact O-CB 3.45Å; V401-S404 PolarHBondContact O-N 3.28Å; V401-S404 PolarHBondContact O-OG 3.5Å
402	L	90.4	Very high	88.6	Confident	9 Å²	9	37.8 Å²	37.8	5%	0.047	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-42.1	-179.6	-173.4	64.9	0	0	0	112.1	I163 R398 F399 S404 Q933 P946	I163-L402 HydrophobicContact CD1-CB 4Å; I163-L402 HydrophobicContact CG2-CD1 4.24Å; R398-L402 WeakPolarHBondContact O-CB 3.46Å; R398-L402 PolarHBondContact O-N 2.78Å; F399-L402 HydrophobicContact CD1-CD2 3.94Å; F399-L402 HydrophobicContact CE1-CD2 4.16Å; F399-L402 PolarHBondContact O-N 3.19Å; L402-S404 VanDerWaalsContact C-N 3.29Å; L402-S404 PolarHBondContact O-N 3.46Å; L402-Q933 HydrophobicContact CD1-CG 4Å; L402-Q933 HydrophobicContact CD2-CG 3.96Å; L402-Q933 HydrophobicContact CG-CG 3.68Å; L402-P946 HydrophobicContact CD1-CB 3.74Å
403	F	92.7	Very high	88.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-86.6	8.9	175.8	-61.9	-50.6	0	0	0	113.6	Q375 L378 M382 F399 V401 Y405 I406 S930 Q933 A934	Q375-F403 HydrophobicContact CG-CB 3.88Å; L378-F403 HydrophobicContact CD2-CD1 4Å; L378-F403 HydrophobicContact CD2-CD2 4.05Å; L378-F403 HydrophobicContact CD2-CE1 4.01Å; L378-F403 HydrophobicContact CD2-CE2 4.06Å; L378-F403 HydrophobicContact CD2-CG 4.02Å; L378-F403 HydrophobicContact CD2-CZ 4.04Å; L378-F403 HydrophobicContact CG-CD2 4.12Å; L378-F403 HydrophobicContact CG-CE2 3.89Å; L378-F403 HydrophobicContact CG-CZ 4.15Å; M382-F403 HydrophobicContact CE-CZ 4.38Å; M382-F403 HydrophobicContact CG-CE2 3.76Å; M382-F403 HydrophobicContact CG-CZ 3.91Å; F399-F403 HydrophobicContact CB-CD2 4.28Å; F399-F403 HydrophobicContact CB-CE2 4.18Å; F399-F403 AromaticContact CD1-CE2 3.77Å; F399-F403 HydrophobicContact CD1-CE2 3.77Å; F399-F403 HydrophobicContact CD1-CZ 4.22Å; F399-F403 HydrophobicContact CG-CE2 4.36Å; F399-F403 WeakPolarHBondContact O-CB 3.32Å; F399-F403 WeakPolarHBondContact O-CD2 3.36Å; F399-F403 PolarHBondContact O-N 3.49Å; V401-F403 VanDerWaalsContact C-N 3.33Å; V401-F403 PolarHBondContact O-N 3.42Å; F403-Y405 PolarHBondContact O-N 3.19Å; F403-Y405 VanDerWaalsContact O-N 3.16Å; F403-I406 HydrophobicContact CB-CD1 4.03Å; F403-I406 HydrophobicContact CB-CG1 4.46Å; F403-I406 WeakPolarHBondContact O-CB 3.21Å; F403-I406 VanDerWaalsContact O-CG1 3.25Å; F403-I406 WeakPolarHBondContact O-CG1 3.41Å; F403-I406 PolarHBondContact O-N 3.04Å; F403-I406 VanDerWaalsContact O-N 3.07Å; F403-S930 VanDerWaalsContact CD1-OG 3.24Å; F403-S930 WeakPolarHBondContact CD1-OG 3.38Å; F403-Q933 HydrophobicContact CD1-CG 4.37Å; F403-Q933 HydrophobicContact CE1-CB 4.34Å; F403-Q933 HydrophobicContact CE1-CG 4.04Å; F403-A934 HydrophobicContact CE1-CB 3.79Å; F403-A934 HydrophobicContact CZ-CB 4Å
404	S	89.3	Confident	88.5	Confident	7 Å²	7	28.1 Å²	28.1	5%	0.049	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-62.8	-23.4	-180	65	0	0	0	0	113.6	Y148 V400 V401 L402 I406 I407	Y148-S404 WeakPolarHBondContact OH-CA 3.29Å; Y148-S404 VanDerWaalsContact OH-CB 3.25Å; Y148-S404 WeakPolarHBondContact OH-CB 3.43Å; V400-S404 PolarHBondContact O-N 3.18Å; V400-S404 VanDerWaalsContact O-N 3.14Å; V401-S404 WeakPolarHBondContact O-CB 3.45Å; V401-S404 PolarHBondContact O-N 3.28Å; V401-S404 PolarHBondContact O-OG 3.5Å; L402-S404 VanDerWaalsContact C-N 3.29Å; L402-S404 PolarHBondContact O-N 3.46Å; S404-I406 PolarHBondContact O-N 3.37Å; S404-I407 PolarHBondContact O-N 3.17Å; S404-I407 VanDerWaalsContact O-N 3.15Å
405	Y	87	Confident	88.5	Confident	50 Å²	50	21.5 Å²	21.5	20%	0.196	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-66.2	-12.7	174.9	-66.6	-73.5	0	0	0	114.5	F403 I407 G926 M953	F403-Y405 PolarHBondContact O-N 3.19Å; F403-Y405 VanDerWaalsContact O-N 3.16Å; Y405-I407 PolarHBondContact O-N 3.49Å; Y405-G926 CarbonylContact O-C 3.56Å; Y405-G926 WeakPolarHBondContact O-CA 3.28Å; Y405-M953 HydrophobicContact CD1-CE 3.44Å; Y405-M953 VanDerWaalsContact CD1-CE 3.44Å; Y405-M953 HydrophobicContact CD2-CE 3.66Å; Y405-M953 HydrophobicContact CE1-CE 3.29Å; Y405-M953 HydrophobicContact CE2-CE 3.51Å; Y405-M953 HydrophobicContact CG-CE 3.62Å
406	I	91.3	Very high	88.4	Confident	13 Å²	13	20.6 Å²	20.6	7%	0.067	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-51.9	-38.2	167.6	-71.6	178.1	0	0	0	110.6	L371 Q375 L378 F403 S404 P408 M927 S930	L371-I406 HydrophobicContact CB-CG2 4.09Å; L371-I406 HydrophobicContact CD2-CG2 3.75Å; L371-I406 HydrophobicContact CG-CG2 4.4Å; Q375-I406 HydrophobicContact CB-CD1 3.9Å; Q375-I406 HydrophobicContact CG-CD1 4.15Å; L378-I406 HydrophobicContact CD2-CD1 4.19Å; F403-I406 HydrophobicContact CB-CD1 4.03Å; F403-I406 HydrophobicContact CB-CG1 4.46Å; F403-I406 WeakPolarHBondContact O-CB 3.21Å; F403-I406 VanDerWaalsContact O-CG1 3.25Å; F403-I406 WeakPolarHBondContact O-CG1 3.41Å; F403-I406 PolarHBondContact O-N 3.04Å; F403-I406 VanDerWaalsContact O-N 3.07Å; S404-I406 PolarHBondContact O-N 3.37Å; I406-P408 WeakPolarHBondContact O-CD 3.45Å; I406-M927 HydrophobicContact CG2-CG 4.47Å; I406-S930 VanDerWaalsContact CD1-OG 3.3Å; I406-S930 WeakPolarHBondContact CD1-OG 3.46Å; I406-S930 WeakPolarHBondContact CG1-OG 3.28Å
407	I	89.9	Confident	88.3	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.106	C	C	.	.	S	Bend	trans	-100.6	106.8	176.9	-53.6	177.5	0	0	0	107.6	L145 Y148 F149 T368 L371 F372 S404 Y405 I409	L145-I407 HydrophobicContact CD1-CG2 3.38Å; Y148-I407 HydrophobicContact CD1-CD1 4.24Å; Y148-I407 HydrophobicContact CE1-CB 4.06Å; Y148-I407 HydrophobicContact CE1-CD1 3.93Å; Y148-I407 HydrophobicContact CE1-CG1 4.46Å; Y148-I407 HydrophobicContact CE1-CG2 4.49Å; Y148-I407 HydrophobicContact CE2-CD1 4.36Å; F149-I407 HydrophobicContact CE1-CG2 4.37Å; F149-I407 VanDerWaalsContact CE1-O 3.28Å; F149-I407 WeakPolarHBondContact CE1-O 3.33Å; F149-I407 HydrophobicContact CE2-CG2 4.48Å; F149-I407 HydrophobicContact CZ-CB 4.3Å; F149-I407 HydrophobicContact CZ-CG2 3.74Å; F149-I407 VanDerWaalsContact CZ-O 3.26Å; F149-I407 WeakPolarHBondContact CZ-O 3.21Å; T368-I407 HydrophobicContact CG2-CD1 4.11Å; T368-I407 HydrophobicContact CG2-CG2 3.78Å; L371-I407 HydrophobicContact CB-CD1 4.42Å; L371-I407 HydrophobicContact CB-CG1 3.98Å; F372-I407 HydrophobicContact CB-CD1 3.87Å; S404-I407 PolarHBondContact O-N 3.17Å; S404-I407 VanDerWaalsContact O-N 3.15Å; Y405-I407 PolarHBondContact O-N 3.49Å; I407-I409 PolarHBondContact O-N 3.4Å
408	P	87.1	Confident	88.3	Confident	9 Å²	9	17.7 Å²	17.7	6%	0.058	9%	0.085	C	C	.	.			trans	-75.8	124.2	-173.5	-1.6	14.8	0	0	0	111.4	I406 S410 L411 V922	I406-P408 WeakPolarHBondContact O-CD 3.45Å; P408-S410 PolarHBondContact O-N 3.08Å; P408-L411 VanDerWaalsContact O-CB 3.26Å; P408-L411 WeakPolarHBondContact O-CB 3.32Å; P408-L411 PolarHBondContact O-N 3.42Å; P408-V922 HydrophobicContact CB-CG1 3.79Å; P408-V922 HydrophobicContact CG-CG1 3.95Å; P408-V922 WeakPolarHBondContact CG-O 3.3Å
409	I	83.3	Confident	88.3	Confident	30 Å²	30	14 Å²	14	15%	0.154	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-37.3	176.5	-62.3	167.2	0	0	0	111.6	F149 P172 V176 I407 L411	F149-I409 HydrophobicContact CD1-CD1 4.19Å; F149-I409 HydrophobicContact CD1-CG1 3.42Å; F149-I409 VanDerWaalsContact CD1-CG1 3.42Å; F149-I409 HydrophobicContact CD2-CG1 4.26Å; F149-I409 HydrophobicContact CE1-CB 4.21Å; F149-I409 HydrophobicContact CE1-CD1 4.32Å; F149-I409 HydrophobicContact CE1-CG1 3.25Å; F149-I409 HydrophobicContact CE2-CB 4.29Å; F149-I409 HydrophobicContact CE2-CG1 4.11Å; F149-I409 HydrophobicContact CG-CG1 3.94Å; F149-I409 HydrophobicContact CZ-CB 4.08Å; F149-I409 HydrophobicContact CZ-CG1 3.62Å; P172-I409 HydrophobicContact CB-CD1 4.22Å; P172-I409 HydrophobicContact CB-CG2 4.09Å; V176-I409 HydrophobicContact CG2-CG2 3.85Å; I407-I409 PolarHBondContact O-N 3.4Å; I409-L411 PolarHBondContact O-N 2.8Å
410	S	84.5	Confident	88.2	Confident	17 Å²	17	16.2 Å²	16.2	12%	0.119	9%	0.086	C	C	.	.	H	α-helix	trans	-70.4	-9.5	-179	62.3	0	0	0	0	114.7	P408 R412 V413 N414 V922 R925	P408-S410 PolarHBondContact O-N 3.08Å; S410-R412 VanDerWaalsContact C-N 3.32Å; S410-R412 PolarHBondContact O-N 3.39Å; S410-V413 PolarHBondContact O-N 2.93Å; S410-N414 WeakPolarHBondContact O-CB 3.41Å; S410-N414 PolarHBondContact O-N 3.27Å; S410-N414 PolarHBondContact O-ND2 3.18Å; S410-V922 WeakPolarHBondContact OG-CG1 3.43Å; S410-R925 VanDerWaalsContact CB-NH2 3.33Å; S410-R925 PolarHBondContact OG-NH2 2.86Å
411	L	86.7	Confident	88.2	Confident	3 Å²	3	16.1 Å²	16.1	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-57.7	-47.7	-176.8	178.2	62.7	0	0	0	111	P408 I409 L415 V922 M923	P408-L411 VanDerWaalsContact O-CB 3.26Å; P408-L411 WeakPolarHBondContact O-CB 3.32Å; P408-L411 PolarHBondContact O-N 3.42Å; I409-L411 PolarHBondContact O-N 2.8Å; L411-L415 HydrophobicContact CD1-CD1 3.89Å; L411-L415 HydrophobicContact CG-CD1 4.12Å; L411-L415 WeakPolarHBondContact O-CD1 3.41Å; L411-L415 WeakPolarHBondContact O-CG 3.3Å; L411-L415 PolarHBondContact O-N 2.9Å; L411-V922 HydrophobicContact CB-CG1 3.95Å; L411-V922 HydrophobicContact CD1-CB 3.99Å; L411-V922 HydrophobicContact CD1-CG1 4.07Å; L411-M923 HydrophobicContact CD1-CG 4.46Å; L411-M923 HydrophobicContact CD2-CG 4.19Å
412	R	83.1	Confident	88.4	Confident	33 Å²	33	16 Å²	16	13%	0.125	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-47.3	-179.4	-173.9	70	-159.7	179.5	9.5	111.7	L145 D361 S410 L415 D416	L145-R412 HydrophobicContact CD2-CB 4.02Å; D361-R412 IonicContact OD1-NH1 3.9Å; D361-R412 IonicContact OD2-CZ 2.93Å; D361-R412 IonicContact OD2-NH1 2.61Å; D361-R412 PolarHBondContact OD2-NH1 3.44Å; D361-R412 IonicContact OD2-NH2 3.49Å; D361-R412 PolarHBondContact OD2-NH2 3.45Å; S410-R412 VanDerWaalsContact C-N 3.32Å; S410-R412 PolarHBondContact O-N 3.39Å; R412-L415 PolarHBondContact O-N 3.35Å; R412-D416 IonicContact CZ-OD1 2.62Å; R412-D416 IonicContact CZ-OD2 2.61Å; R412-D416 IonicContact NE-OD1 2.67Å; R412-D416 IonicContact NE-OD2 2.75Å; R412-D416 PolarHBondContact NE-OD2 3.17Å; R412-D416 IonicContact NH2-OD1 3.65Å; R412-D416 PolarHBondContact NH2-OD1 3.25Å; R412-D416 IonicContact NH2-OD2 3.09Å; R412-D416 WeakPolarHBondContact O-CB 3.34Å; R412-D416 PolarHBondContact O-N 3.11Å
413	V	83.4	Confident	88.4	Confident	11 Å²	11	15.8 Å²	15.8	7%	0.067	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-47	-177.5	176.8	0	0	0	0	111.7	V176 S410 L415 D416 M417	V176-V413 HydrophobicContact CB-CG2 3.6Å; V176-V413 HydrophobicContact CG1-CG2 3.48Å; V176-V413 VanDerWaalsContact CG1-CG2 3.48Å; V176-V413 HydrophobicContact CG2-CG2 3.27Å; S410-V413 PolarHBondContact O-N 2.93Å; V413-L415 VanDerWaalsContact C-N 3.28Å; V413-L415 PolarHBondContact O-N 3.33Å; V413-D416 PolarHBondContact O-N 3.24Å; V413-M417 HydrophobicContact CG1-CG 4.14Å; V413-M417 HydrophobicContact CG1-SD 3.68Å; V413-M417 WeakPolarHBondContact O-CB 3.09Å; V413-M417 VanDerWaalsContact O-CG 3.31Å; V413-M417 WeakPolarHBondContact O-CG 3.37Å; V413-M417 PolarHBondContact O-N 3.18Å
414	N	88	Confident	88.4	Confident	3 Å²	3	23.4 Å²	23.4	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-42.1	179.6	-80.6	-64.8	0	0	0	111.5	S410 G418 L918 V922	S410-N414 WeakPolarHBondContact O-CB 3.41Å; S410-N414 PolarHBondContact O-N 3.27Å; S410-N414 PolarHBondContact O-ND2 3.18Å; N414-G418 PolarHBondContact O-N 3.35Å; N414-L918 HydrophobicContact CB-CD1 4.34Å; N414-L918 HydrophobicContact CB-CD2 4.19Å; N414-L918 HydrophobicContact CB-CG 4.34Å; N414-L918 WeakPolarHBondContact O-CD2 3.09Å; N414-V922 HydrophobicContact CB-CG2 4.21Å
415	L	88.7	Confident	88.6	Confident	6 Å²	6	25 Å²	25	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-67.4	-47.4	176.9	-68.5	166.5	0	0	0	111.4	L360 L364 L411 R412 V413 M417 G418 K419 L918	L360-L415 HydrophobicContact CD2-CD2 4.42Å; L364-L415 HydrophobicContact CD1-CD1 3.19Å; L364-L415 HydrophobicContact CD1-CD2 4.47Å; L364-L415 HydrophobicContact CD1-CG 4.46Å; L411-L415 HydrophobicContact CD1-CD1 3.89Å; L411-L415 HydrophobicContact CG-CD1 4.12Å; L411-L415 WeakPolarHBondContact O-CD1 3.41Å; L411-L415 WeakPolarHBondContact O-CG 3.3Å; L411-L415 PolarHBondContact O-N 2.9Å; R412-L415 PolarHBondContact O-N 3.35Å; V413-L415 VanDerWaalsContact C-N 3.28Å; V413-L415 PolarHBondContact O-N 3.33Å; L415-M417 VanDerWaalsContact C-N 3.32Å; L415-M417 PolarHBondContact O-N 2.66Å; L415-G418 PolarHBondContact O-N 2.9Å; L415-G418 VanDerWaalsContact O-N 3.12Å; L415-K419 VanDerWaalsContact O-CG 3.24Å; L415-K419 WeakPolarHBondContact O-CG 3.3Å; L415-K419 PolarHBondContact O-N 3.47Å; L415-L918 HydrophobicContact CD2-CD2 4.28Å; L415-L918 HydrophobicContact CD2-CG 4.48Å
416	D	85.6	Confident	88.9	Confident	8 Å²	8	22.6 Å²	22.6	4%	0.043	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-38.9	179.2	-77.4	-29.4	0	0	0	112.3	R183 R412 V413 S420	R183-D416 IonicContact NH1-OD1 3.55Å; R412-D416 IonicContact CZ-OD1 2.62Å; R412-D416 IonicContact CZ-OD2 2.61Å; R412-D416 IonicContact NE-OD1 2.67Å; R412-D416 IonicContact NE-OD2 2.75Å; R412-D416 PolarHBondContact NE-OD2 3.17Å; R412-D416 IonicContact NH2-OD1 3.65Å; R412-D416 PolarHBondContact NH2-OD1 3.25Å; R412-D416 IonicContact NH2-OD2 3.09Å; R412-D416 WeakPolarHBondContact O-CB 3.34Å; R412-D416 PolarHBondContact O-N 3.11Å; V413-D416 PolarHBondContact O-N 3.24Å; D416-S420 PolarHBondContact O-N 2.86Å; D416-S420 PolarHBondContact O-OG 2.93Å
417	M	87.1	Confident	89	Confident	63 Å²	63	25.3 Å²	25.3	31%	0.31	13%	0.131	S	C	.	.	H	α-helix	trans	-67.1	-41.5	172.5	-71.7	-179.5	65.9	0	0	111.6	V413 L415 K419 S420 A421 M962 F966	V413-M417 HydrophobicContact CG1-CG 4.14Å; V413-M417 HydrophobicContact CG1-SD 3.68Å; V413-M417 WeakPolarHBondContact O-CB 3.09Å; V413-M417 VanDerWaalsContact O-CG 3.31Å; V413-M417 WeakPolarHBondContact O-CG 3.37Å; V413-M417 PolarHBondContact O-N 3.18Å; L415-M417 VanDerWaalsContact C-N 3.32Å; L415-M417 PolarHBondContact O-N 2.66Å; M417-K419 PolarHBondContact O-N 3.08Å; M417-S420 WeakPolarHBondContact O-CB 3.14Å; M417-S420 PolarHBondContact O-N 2.87Å; M417-A421 PolarHBondContact O-N 2.86Å; M417-M962 HydrophobicContact CE-CE 4.35Å; M417-F966 HydrophobicContact CB-CD2 4.42Å; M417-F966 HydrophobicContact CB-CE2 3.45Å; M417-F966 VanDerWaalsContact CB-CE2 3.45Å; M417-F966 HydrophobicContact CB-CZ 3.77Å; M417-F966 HydrophobicContact CE-CE1 4.47Å; M417-F966 HydrophobicContact CE-CE2 4.46Å; M417-F966 HydrophobicContact CE-CZ 4.21Å
418	G	91.3	Very high	89.2	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-43.7	177.2	0	0	0	0	0	111.7	N414 L415 S420 A421 Y422	N414-G418 PolarHBondContact O-N 3.35Å; L415-G418 PolarHBondContact O-N 2.9Å; L415-G418 VanDerWaalsContact O-N 3.12Å; G418-S420 VanDerWaalsContact C-N 3.32Å; G418-S420 PolarHBondContact O-N 3.39Å; G418-A421 WeakPolarHBondContact O-CB 3.37Å; G418-A421 PolarHBondContact O-N 3.31Å; G418-A421 VanDerWaalsContact O-N 3.15Å; G418-Y422 WeakPolarHBondContact O-CD2 3.5Å; G418-Y422 WeakPolarHBondContact O-CE2 3.3Å; G418-Y422 PolarHBondContact O-N 2.62Å
419	K	91.1	Very high	89.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-40.6	175.1	-64.7	179.5	-156.8	-158.9	0	112.6	D361 L415 M417 A421 Y422 G423 S440 T441 P443 E444	D361-K419 IonicContact OD1-NZ 2.96Å; D361-K419 PolarHBondContact OD1-NZ 2.71Å; D361-K419 IonicContact OD2-NZ 3.74Å; D361-K419 PolarHBondContact OD2-NZ 2.83Å; L415-K419 VanDerWaalsContact O-CG 3.24Å; L415-K419 WeakPolarHBondContact O-CG 3.3Å; L415-K419 PolarHBondContact O-N 3.47Å; M417-K419 PolarHBondContact O-N 3.08Å; K419-A421 VanDerWaalsContact C-N 3.33Å; K419-Y422 PolarHBondContact O-N 2.75Å; K419-G423 PolarHBondContact O-N 2.98Å; K419-S440 VanDerWaalsContact CB-O 3.31Å; K419-S440 WeakPolarHBondContact CB-O 3.32Å; K419-T441 WeakPolarHBondContact CD-O 3.37Å; K419-T441 PolarHBondContact NZ-O 2.89Å; K419-P443 HydrophobicContact CB-CG 4.39Å; K419-E444 WeakPolarHBondContact CD-OE2 3.46Å; K419-E444 WeakPolarHBondContact CE-OE1 3.35Å; K419-E444 VanDerWaalsContact CG-OE2 3.32Å; K419-E444 WeakPolarHBondContact CG-OE2 3.48Å; K419-E444 IonicContact NZ-OE1 3.75Å; K419-E444 PolarHBondContact NZ-OE1 3.49Å
420	S	88.8	Confident	89.9	Confident	47 Å²	47	41.8 Å²	41.8	33%	0.329	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-41.1	175.6	-54.3	0	0	0	0	111.3	D416 M417 G418 G423 W424	D416-S420 PolarHBondContact O-N 2.86Å; D416-S420 PolarHBondContact O-OG 2.93Å; M417-S420 WeakPolarHBondContact O-CB 3.14Å; M417-S420 PolarHBondContact O-N 2.87Å; G418-S420 VanDerWaalsContact C-N 3.32Å; G418-S420 PolarHBondContact O-N 3.39Å; S420-G423 PolarHBondContact O-N 2.76Å; S420-W424 PolarHBondContact O-N 3.29Å
421	A	91.9	Very high	90.3	Very high	22 Å²	22	45.7 Å²	45.7	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-42.4	175.1	0	0	0	0	0	112.3	M417 G418 K419 G423 W424 M425 V969	M417-A421 PolarHBondContact O-N 2.86Å; G418-A421 WeakPolarHBondContact O-CB 3.37Å; G418-A421 PolarHBondContact O-N 3.31Å; G418-A421 VanDerWaalsContact O-N 3.15Å; K419-A421 VanDerWaalsContact C-N 3.33Å; A421-G423 VanDerWaalsContact C-N 3.34Å; A421-G423 PolarHBondContact O-N 2.88Å; A421-W424 PolarHBondContact O-N 2.89Å; A421-M425 HydrophobicContact CB-CE 4.48Å; A421-M425 VanDerWaalsContact O-CG 3.32Å; A421-M425 WeakPolarHBondContact O-CG 3.29Å; A421-M425 PolarHBondContact O-N 3.09Å; A421-V969 HydrophobicContact CB-CG1 3.63Å
422	Y	94.2	Very high	90.6	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-43.1	174.4	-52.4	-38.1	0	0	0	111.6	G418 K419 W424 M425 I426 P443 R914 S915 V969	G418-Y422 WeakPolarHBondContact O-CD2 3.5Å; G418-Y422 WeakPolarHBondContact O-CE2 3.3Å; G418-Y422 PolarHBondContact O-N 2.62Å; K419-Y422 PolarHBondContact O-N 2.75Å; Y422-W424 VanDerWaalsContact C-N 3.29Å; Y422-W424 PolarHBondContact O-N 3.34Å; Y422-M425 PolarHBondContact O-N 2.67Å; Y422-I426 VanDerWaalsContact O-CG1 3.28Å; Y422-I426 WeakPolarHBondContact O-CG1 3.4Å; Y422-I426 PolarHBondContact O-N 2.62Å; Y422-P443 HydrophobicContact CD2-CB 4.27Å; Y422-R914 HydrophobicContact CE1-CB 3.95Å; Y422-R914 HydrophobicContact CE1-CG 4.47Å; Y422-R914 WeakPolarHBondContact OH-CB 3.26Å; Y422-S915 VanDerWaalsContact CE2-OG 3.24Å; Y422-S915 WeakPolarHBondContact CE2-OG 3.44Å; Y422-S915 PolarHBondContact OH-N 3.5Å; Y422-V969 HydrophobicContact CD1-CG1 4Å; Y422-V969 HydrophobicContact CE1-CB 4.14Å; Y422-V969 HydrophobicContact CE1-CG1 3.48Å; Y422-V969 VanDerWaalsContact CE1-CG1 3.48Å; Y422-V969 HydrophobicContact CE1-CG2 4.35Å
423	G	92	Very high	90.8	Very high	5 Å²	5	47.7 Å²	47.7	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-39.5	176.3	0	0	0	0	0	113	K419 S420 A421 T427 V437	K419-G423 PolarHBondContact O-N 2.98Å; S420-G423 PolarHBondContact O-N 2.76Å; A421-G423 VanDerWaalsContact C-N 3.34Å; A421-G423 PolarHBondContact O-N 2.88Å; G423-T427 PolarHBondContact O-N 3.27Å; G423-T427 PolarHBondContact O-OG1 3.04Å; G423-V437 WeakPolarHBondContact O-CG2 3.38Å
424	W	91.3	Very high	90.9	Very high	160 Å²	160	49.6 Å²	49.6	61%	0.606	26%	0.258	S	S	*	.	H	α-helix	trans	-66.1	-43.2	174	-179.4	85.3	0	0	0	112.5	S420 A421 Y422 I426 T427 R428	S420-W424 PolarHBondContact O-N 3.29Å; A421-W424 PolarHBondContact O-N 2.89Å; Y422-W424 VanDerWaalsContact C-N 3.29Å; Y422-W424 PolarHBondContact O-N 3.34Å; W424-I426 PolarHBondContact O-N 3.41Å; W424-T427 PolarHBondContact O-N 3.06Å; W424-R428 VanDerWaalsContact CZ2-CD 3.47Å; W424-R428 PolarHBondContact O-N 3.26Å
425	M	93.4	Very high	91	Very high	40 Å²	40	49.6 Å²	49.6	20%	0.197	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-40.7	177	-69.7	174	-166.5	0	0	112.3	A421 Y422 R428 D429 V969 L970	A421-M425 HydrophobicContact CB-CE 4.48Å; A421-M425 VanDerWaalsContact O-CG 3.32Å; A421-M425 WeakPolarHBondContact O-CG 3.29Å; A421-M425 PolarHBondContact O-N 3.09Å; Y422-M425 PolarHBondContact O-N 2.67Å; M425-R428 PolarHBondContact O-N 3.22Å; M425-D429 PolarHBondContact O-N 3.2Å; M425-V969 HydrophobicContact CE-CG1 4.1Å; M425-L970 HydrophobicContact CE-CD2 3.41Å; M425-L970 VanDerWaalsContact CE-CD2 3.41Å
426	I	95	Very high	91.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-44.1	176.7	-68.7	163.6	0	0	0	110.6	Y422 W424 R428 D429 I432 T435 V437 L446 F892 L903 H907	Y422-I426 VanDerWaalsContact O-CG1 3.28Å; Y422-I426 WeakPolarHBondContact O-CG1 3.4Å; Y422-I426 PolarHBondContact O-N 2.62Å; W424-I426 PolarHBondContact O-N 3.41Å; I426-R428 PolarHBondContact O-N 3.4Å; I426-D429 PolarHBondContact O-N 2.98Å; I426-I432 HydrophobicContact CG2-CD1 4.4Å; I426-T435 HydrophobicContact CG2-CG2 3.69Å; I426-V437 HydrophobicContact CB-CG2 3.76Å; I426-V437 HydrophobicContact CD1-CG2 4.26Å; I426-V437 HydrophobicContact CG2-CG2 3.6Å; I426-L446 HydrophobicContact CD1-CD1 4.44Å; I426-F892 HydrophobicContact CD1-CE1 4.17Å; I426-L903 HydrophobicContact CD1-CD1 4.48Å; I426-L903 HydrophobicContact CG2-CD1 3.82Å; I426-H907 HydrophobicContact CD1-CB 4.12Å; I426-H907 HydrophobicContact CG1-CB 3.72Å
427	T	93.4	Very high	91.3	Very high	70 Å²	70	52.8 Å²	52.8	43%	0.429	28%	0.278	S	S	.	.	H	α-helix	trans	-67.2	-22.3	-177.5	-53.8	0	0	0	0	112.7	G423 W424	G423-T427 PolarHBondContact O-N 3.27Å; G423-T427 PolarHBondContact O-OG1 3.04Å; W424-T427 PolarHBondContact O-N 3.06Å
428	R	93	Very high	91.2	Very high	184 Å²	184	52.4 Å²	52.4	69%	0.694	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	6.3	-175.3	-159.8	168.3	172.7	103.4	-1.2	113.7	W424 M425 I426 E430	W424-R428 VanDerWaalsContact CZ2-CD 3.47Å; W424-R428 PolarHBondContact O-N 3.26Å; M425-R428 PolarHBondContact O-N 3.22Å; I426-R428 PolarHBondContact O-N 3.4Å; R428-E430 PolarHBondContact O-N 2.74Å
429	D	94.4	Very high	90.9	Very high	22 Å²	22	53.8 Å²	53.8	12%	0.118	28%	0.282	C	S	.	.			trans	-76.5	119.5	178.3	-173.3	-8.7	0	0	0	111.1	M425 I426 N431 I432 R902 H907	M425-D429 PolarHBondContact O-N 3.2Å; I426-D429 PolarHBondContact O-N 2.98Å; D429-N431 PolarHBondContact O-N 2.89Å; D429-N431 PolarHBondContact OD1-N 3.06Å; D429-N431 PolarHBondContact OD1-ND2 2.77Å; D429-N431 VanDerWaalsContact OD1-ND2 3.14Å; D429-I432 HydrophobicContact CB-CD1 4.08Å; D429-I432 HydrophobicContact CB-CG1 3.66Å; D429-I432 CarbonylContact O-C 3.58Å; D429-I432 PolarHBondContact O-N 2.98Å; D429-R902 IonicContact OD1-CZ 3.62Å; D429-R902 IonicContact OD1-NE 2.79Å; D429-R902 IonicContact OD1-NH2 2.82Å; D429-R902 PolarHBondContact OD1-NH2 2.89Å; D429-R902 IonicContact OD2-CZ 3.21Å; D429-R902 IonicContact OD2-NE 3.98Å; D429-R902 PolarHBondContact OD2-NE 2.96Å; D429-R902 IonicContact OD2-NH2 3.54Å; D429-R902 PolarHBondContact OD2-NH2 3.31Å; D429-R902 VanDerWaalsContact OD2-NH2 3.09Å; D429-H907 IonicContact OD2-CD2 2.87Å; D429-H907 IonicContact OD2-CE1 3.2Å; D429-H907 IonicContact OD2-NE2 2.81Å; D429-H907 PolarHBondContact OD2-NE2 3.39Å
430	E	92.1	Very high	90.4	Very high	181 Å²	181	54.8 Å²	54.8	85%	0.846	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.7	-177.5	-63.6	177.7	176.8	0	0	113.2	R428 I432	R428-E430 PolarHBondContact O-N 2.74Å; E430-I432 VanDerWaalsContact C-N 3.3Å; E430-I432 PolarHBondContact O-N 3.35Å
431	N	92.1	Very high	90.1	Very high	98 Å²	98	54.2 Å²	54.2	52%	0.524	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.3	-178.8	-60.2	-80	0	0	0	113.5	D429 P433 R902	D429-N431 PolarHBondContact O-N 2.89Å; D429-N431 PolarHBondContact OD1-N 3.06Å; D429-N431 PolarHBondContact OD1-ND2 2.77Å; D429-N431 VanDerWaalsContact OD1-ND2 3.14Å; N431-P433 VanDerWaalsContact C-CD 3.49Å; N431-R902 VanDerWaalsContact ND2-CZ 3.34Å; N431-R902 PolarHBondContact ND2-NH2 3.39Å; N431-R902 VanDerWaalsContact ND2-NH2 3.1Å
432	I	91.9	Very high	90.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	-131.8	61.8	176.3	50.7	172.1	0	0	0	109.7	I426 D429 E430 T435 H899 R902	I426-I432 HydrophobicContact CG2-CD1 4.4Å; D429-I432 HydrophobicContact CB-CD1 4.08Å; D429-I432 HydrophobicContact CB-CG1 3.66Å; D429-I432 CarbonylContact O-C 3.58Å; D429-I432 PolarHBondContact O-N 2.98Å; E430-I432 VanDerWaalsContact C-N 3.3Å; E430-I432 PolarHBondContact O-N 3.35Å; I432-T435 WeakPolarHBondContact CB-OG1 3.49Å; I432-T435 HydrophobicContact CD1-CG2 4.21Å; I432-T435 VanDerWaalsContact O-CB 3.29Å; I432-T435 WeakPolarHBondContact O-CB 3.47Å; I432-T435 PolarHBondContact O-N 3.14Å; I432-T435 PolarHBondContact O-OG1 2.86Å; I432-H899 HydrophobicContact CB-CB 4.24Å; I432-H899 HydrophobicContact CG2-CB 3.64Å; I432-R902 HydrophobicContact CG2-CB 4.09Å; I432-R902 HydrophobicContact CG2-CG 4.37Å
433	P	88.3	Confident	90	Very high	77 Å²	77	53 Å²	53	50%	0.5	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	142.3	-172	28.4	-35.5	0	0	0	111.6	N431 T435 S895	N431-P433 VanDerWaalsContact C-CD 3.49Å; P433-T435 VanDerWaalsContact C-N 3.25Å; P433-T435 PolarHBondContact O-N 3.3Å; P433-S895 PolarHBondContact O-OG 2.77Å
434	G	84.7	Confident	90.1	Very high	51 Å²	51	52.8 Å²	52.8	53%	0.526	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	4.8	-177.9	0	0	0	0	0	114.6	V436	G434-V436 PolarHBondContact O-N 3.48Å
435	T	91.6	Very high	90.1	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	24%	0.244	C	C	.	.			trans	-69	129.4	175.1	-60.1	0	0	0	0	110.6	I426 I432 P433 S893 V894	I426-T435 HydrophobicContact CG2-CG2 3.69Å; I432-T435 WeakPolarHBondContact CB-OG1 3.49Å; I432-T435 HydrophobicContact CD1-CG2 4.21Å; I432-T435 VanDerWaalsContact O-CB 3.29Å; I432-T435 WeakPolarHBondContact O-CB 3.47Å; I432-T435 PolarHBondContact O-N 3.14Å; I432-T435 PolarHBondContact O-OG1 2.86Å; P433-T435 VanDerWaalsContact C-N 3.25Å; P433-T435 PolarHBondContact O-N 3.3Å; T435-S893 CarbonylContact C-O 3.58Å; T435-S893 WeakPolarHBondContact CA-O 3.31Å; T435-S893 VanDerWaalsContact CG2-O 3.29Å; T435-S893 WeakPolarHBondContact CG2-O 3.48Å; T435-V894 HydrophobicContact CG2-CG1 4.17Å
436	V	90.1	Very high	90.2	Very high	59 Å²	59	43.4 Å²	43.4	36%	0.358	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126	-179.4	-179.7	0	0	0	0	110.3	G434 R438 S893	G434-V436 PolarHBondContact O-N 3.48Å; V436-R438 HydrophobicContact CG1-CG 4.39Å; V436-R438 PolarHBondContact O-N 2.76Å; V436-S893 PolarHBondContact N-O 3.1Å; V436-S893 PolarHBondContact O-N 3.06Å
437	V	90.5	Very high	90.1	Very high	23 Å²	23	43.4 Å²	43.4	14%	0.139	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110.2	173	-176	0	0	0	0	109.6	G423 I426 F892	G423-V437 WeakPolarHBondContact O-CG2 3.38Å; I426-V437 HydrophobicContact CB-CG2 3.76Å; I426-V437 HydrophobicContact CD1-CG2 4.26Å; I426-V437 HydrophobicContact CG2-CG2 3.6Å; V437-F892 HydrophobicContact CB-CD1 4.42Å; V437-F892 HydrophobicContact CB-CE1 4.41Å; V437-F892 HydrophobicContact CG1-CD1 4.17Å; V437-F892 HydrophobicContact CG1-CE1 3.77Å; V437-F892 HydrophobicContact CG2-CD1 3.9Å; V437-F892 HydrophobicContact CG2-CE1 3.94Å
438	R	84.8	Confident	90.1	Very high	55 Å²	55	41.1 Å²	41.1	21%	0.208	22%	0.217	C	C	.	.	S	Bend	trans	-89.7	-36.6	179.2	-64.6	-167.9	167.4	91.9	-0.3	112.3	V436 S887 A890 D891 S893	V436-R438 HydrophobicContact CG1-CG 4.39Å; V436-R438 PolarHBondContact O-N 2.76Å; R438-S887 WeakPolarHBondContact CD-O 3.46Å; R438-S887 VanDerWaalsContact CZ-OG 3.23Å; R438-S887 PolarHBondContact NE-O 3.44Å; R438-S887 PolarHBondContact NH1-O 3.3Å; R438-S887 PolarHBondContact NH1-OG 3.3Å; R438-S887 PolarHBondContact NH2-OG 3.31Å; R438-A890 WeakPolarHBondContact CB-O 3.4Å; R438-A890 WeakPolarHBondContact CD-O 3.27Å; R438-D891 WeakPolarHBondContact CA-O 3.49Å; R438-D891 PolarHBondContact N-O 2.89Å; R438-S893 PolarHBondContact NH1-OG 3.45Å
439	T	83.4	Confident	90.1	Very high	28 Å²	28	32.4 Å²	32.4	17%	0.172	19%	0.185	C	C	.	.			trans	-109	101.5	176.8	-58.3	0	0	0	0	109.9	T441 I442 D891	T439-T441 WeakPolarHBondContact CG2-OG1 3.46Å; T439-T441 PolarHBondContact O-N 2.88Å; T439-I442 HydrophobicContact CG2-CD1 4.44Å; T439-I442 HydrophobicContact CG2-CG1 4.05Å; T439-D891 WeakPolarHBondContact CB-OD1 3.29Å; T439-D891 PolarHBondContact N-O 3.3Å; T439-D891 PolarHBondContact OG1-OD1 2.95Å
440	S	81.1	Confident	90.1	Very high	21 Å²	21	32.6 Å²	32.6	15%	0.147	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.1	-177.6	57.2	0	0	0	0	114.2	R183 K419	R183-S440 PolarHBondContact NE-OG 3.32Å; R183-S440 PolarHBondContact NH2-O 2.92Å; R183-S440 PolarHBondContact NH2-OG 3.49Å; K419-S440 VanDerWaalsContact CB-O 3.31Å; K419-S440 WeakPolarHBondContact CB-O 3.32Å
441	T	83.8	Confident	90.3	Very high	35 Å²	35	24.3 Å²	24.3	22%	0.215	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-12.7	-172.7	55.5	0	0	0	0	115	R183 K419 T439	R183-T441 VanDerWaalsContact NH2-CG2 3.25Å; K419-T441 WeakPolarHBondContact CD-O 3.37Å; K419-T441 PolarHBondContact NZ-O 2.89Å; T439-T441 WeakPolarHBondContact CG2-OG1 3.46Å; T439-T441 PolarHBondContact O-N 2.88Å
442	I	91.1	Very high	90.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	12%	0.123	C	C	.	.			trans	-125.9	19.7	-173.2	65	166.6	0	0	0	117.3	K356 T439 E444 E445 C874 D891 F892	K356-I442 HydrophobicContact CB-CG2 4.1Å; K356-I442 HydrophobicContact CD-CD1 4.28Å; T439-I442 HydrophobicContact CG2-CD1 4.44Å; T439-I442 HydrophobicContact CG2-CG1 4.05Å; I442-E444 PolarHBondContact O-N 3.11Å; I442-E444 VanDerWaalsContact O-N 3.08Å; I442-E445 HydrophobicContact CB-CB 4.31Å; I442-E445 HydrophobicContact CB-CG 3.94Å; I442-E445 HydrophobicContact CG2-CG 4.29Å; I442-E445 WeakPolarHBondContact O-CB 3.44Å; I442-E445 PolarHBondContact O-N 3.37Å; I442-C874 HydrophobicContact CD1-CB 4.5Å; I442-D891 HydrophobicContact CD1-CB 3.85Å; I442-F892 HydrophobicContact CD1-CE2 4.27Å; I442-F892 HydrophobicContact CG1-CE2 4.18Å; I442-F892 HydrophobicContact CG1-CZ 4.44Å
443	P	92.9	Very high	90.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-50.6	-34.4	177.1	-28.4	35	0	0	0	115.3	K419 Y422 E445 L446 S911	K419-P443 HydrophobicContact CB-CG 4.39Å; Y422-P443 HydrophobicContact CD2-CB 4.27Å; P443-E445 VanDerWaalsContact C-N 3.32Å; P443-E445 PolarHBondContact O-N 3.21Å; P443-L446 WeakPolarHBondContact O-CB 3.15Å; P443-L446 PolarHBondContact O-N 2.9Å; P443-S911 WeakPolarHBondContact O-CB 3.41Å
444	E	92.3	Very high	91.1	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-70.6	-20.8	177.8	64.8	-84.8	-169.2	0	0	114.8	L360 K419 I442 L446 G447	L360-E444 HydrophobicContact CB-CG 3.92Å; K419-E444 WeakPolarHBondContact CD-OE2 3.46Å; K419-E444 WeakPolarHBondContact CE-OE1 3.35Å; K419-E444 VanDerWaalsContact CG-OE2 3.32Å; K419-E444 WeakPolarHBondContact CG-OE2 3.48Å; K419-E444 IonicContact NZ-OE1 3.75Å; K419-E444 PolarHBondContact NZ-OE1 3.49Å; I442-E444 PolarHBondContact O-N 3.11Å; I442-E444 VanDerWaalsContact O-N 3.08Å; E444-L446 PolarHBondContact O-N 3.4Å; E444-G447 PolarHBondContact O-N 3.39Å
445	E	92.9	Very high	91.4	Very high	3 Å²	3	14 Å²	14	1%	0.014	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-66.5	-30.1	177.5	-68.9	-54.6	111.1	0	0	111.6	G358 L359 I442 P443 G447 R448 R855	G358-E445 VanDerWaalsContact C-OE1 3.29Å; G358-E445 VanDerWaalsContact CA-CD 3.47Å; G358-E445 WeakPolarHBondContact CA-OE1 3.1Å; L359-E445 WeakPolarHBondContact CB-OE1 3.43Å; L359-E445 PolarHBondContact N-OE1 3.06Å; L359-E445 PolarHBondContact N-OE2 3.17Å; I442-E445 HydrophobicContact CB-CB 4.31Å; I442-E445 HydrophobicContact CB-CG 3.94Å; I442-E445 HydrophobicContact CG2-CG 4.29Å; I442-E445 WeakPolarHBondContact O-CB 3.44Å; I442-E445 PolarHBondContact O-N 3.37Å; P443-E445 VanDerWaalsContact C-N 3.32Å; P443-E445 PolarHBondContact O-N 3.21Å; E445-G447 PolarHBondContact O-N 3.06Å; E445-G447 VanDerWaalsContact O-N 3.08Å; E445-R448 PolarHBondContact O-N 3.41Å; E445-R855 IonicContact OE2-CZ 2.66Å; E445-R855 IonicContact OE2-NE 2.85Å; E445-R855 PolarHBondContact OE2-NE 3.22Å; E445-R855 IonicContact OE2-NH2 3.35Å
446	L	94.8	Very high	91.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-57.5	-23.8	175.3	-65.7	173.7	0	0	0	112.5	I426 P443 E444 R448 L449 C874 F892 L903 L904 G908 Y986	I426-L446 HydrophobicContact CD1-CD1 4.44Å; P443-L446 WeakPolarHBondContact O-CB 3.15Å; P443-L446 PolarHBondContact O-N 2.9Å; E444-L446 PolarHBondContact O-N 3.4Å; L446-R448 VanDerWaalsContact C-N 3.34Å; L446-L449 HydrophobicContact CD2-CD1 4.42Å; L446-C874 WeakPolarHBondContact CD2-SG 3.48Å; L446-F892 HydrophobicContact CD1-CD1 4.25Å; L446-F892 HydrophobicContact CD1-CD2 4.48Å; L446-F892 HydrophobicContact CD1-CE1 3.71Å; L446-F892 HydrophobicContact CD1-CE2 3.97Å; L446-F892 HydrophobicContact CD1-CZ 3.57Å; L446-F892 HydrophobicContact CD2-CD2 4.06Å; L446-F892 HydrophobicContact CD2-CE2 3.86Å; L446-F892 HydrophobicContact CD2-CZ 4.33Å; L446-F892 HydrophobicContact CG-CE2 3.93Å; L446-F892 HydrophobicContact CG-CZ 3.94Å; L446-L903 HydrophobicContact CD1-CD1 3.88Å; L446-L903 HydrophobicContact CD1-CG 4.07Å; L446-L904 HydrophobicContact CB-CD2 3.96Å; L446-L904 HydrophobicContact CD2-CD2 3.63Å; L446-L904 HydrophobicContact CG-CD2 4.36Å; L446-G908 VanDerWaalsContact CB-CA 3.47Å; L446-Y986 WeakPolarHBondContact O-CE2 3.38Å; L446-Y986 PolarHBondContact O-OH 3.01Å
447	G	92.8	Very high	91	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-85.5	-0	177.3	0	0	0	0	0	114.8	E444 E445 G908 L989	E444-G447 PolarHBondContact O-N 3.39Å; E445-G447 PolarHBondContact O-N 3.06Å; E445-G447 VanDerWaalsContact O-N 3.08Å; G447-G908 VanDerWaalsContact CA-C 3.43Å; G447-G908 VanDerWaalsContact CA-O 3.3Å; G447-G908 WeakPolarHBondContact CA-O 3.47Å; G447-G908 PolarHBondContact N-O 2.86Å; G447-L989 VanDerWaalsContact O-CB 3.23Å; G447-L989 WeakPolarHBondContact O-CB 3.39Å
448	R	93	Very high	90.6	Very high	21 Å²	21	10.9 Å²	10.9	8%	0.079	6%	0.059	C	C	.	.	S	Bend	trans	-132.4	11.2	-169.6	-68.2	-61.1	-60.8	-96.8	2.5	114.3	E363 E445 L446 R855 Y912 Y986 L989 T990	E363-R448 IonicContact OE1-NH1 2.72Å; E445-R448 PolarHBondContact O-N 3.41Å; L446-R448 VanDerWaalsContact C-N 3.34Å; R448-R855 WeakPolarHBondContact O-CB 3.5Å; R448-Y912 HydrophobicContact CG-CD2 3.84Å; R448-Y912 HydrophobicContact CG-CE2 4.05Å; R448-Y912 HydrophobicContact CG-CG 4.15Å; R448-Y912 PolarHBondContact NH1-OH 2.83Å; R448-Y986 PolarHBondContact N-OH 3.46Å; R448-L989 WeakPolarHBondContact CD-O 3.03Å; R448-L989 PolarHBondContact NE-O 3.14Å; R448-T990 PolarHBondContact NE-O 2.97Å; R448-T990 PolarHBondContact NH2-O 2.86Å
449	L	94.5	Very high	90.8	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.01	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.2	180	-57.5	174.2	0	0	0	110.7	L446 R855 C857 C874 L904 Y986	L446-L449 HydrophobicContact CD2-CD1 4.42Å; L449-R855 HydrophobicContact CD2-CB 4.16Å; L449-C857 HydrophobicContact CD1-CB 3.5Å; L449-C857 VanDerWaalsContact CD1-CB 3.5Å; L449-C857 HydrophobicContact CD2-CB 3.79Å; L449-C857 HydrophobicContact CG-CB 4.13Å; L449-C874 HydrophobicContact CD2-CB 4.04Å; L449-L904 HydrophobicContact CD1-CD1 4.15Å; L449-L904 HydrophobicContact CD1-CD2 3.62Å; L449-Y986 WeakPolarHBondContact CB-OH 3.19Å; L449-Y986 PolarHBondContact N-OH 3.43Å; L449-Y986 WeakPolarHBondContact O-CE1 3.39Å
450	V	94.2	Very high	91.2	Very high	25 Å²	25	7 Å²	7	15%	0.152	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-35.9	176.3	178.4	0	0	0	0	110.8	I747 K748 N854 R855 T990	V450-I747 CarbonylContact O-C 3.51Å; V450-I747 WeakPolarHBondContact O-CA 3.31Å; V450-K748 PolarHBondContact O-N 3.03Å; V450-N854 HydrophobicContact CB-CB 3.96Å; V450-N854 HydrophobicContact CG1-CB 4.28Å; V450-N854 HydrophobicContact CG2-CB 4.05Å; V450-R855 PolarHBondContact N-O 2.81Å; V450-T990 HydrophobicContact CG2-CG2 4.18Å
451	Y	95.7	Very high	91.6	Very high	8 Å²	8	6 Å²	6	3%	0.031	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.1	176.9	-69.9	-85.3	0	0	0	110.4	K748 L848 T852 N854 R855 C857	Y451-K748 CarbonylContact C-O 3.48Å; Y451-K748 WeakPolarHBondContact CA-O 3.21Å; Y451-K748 HydrophobicContact CD1-CB 3.75Å; Y451-K748 HydrophobicContact CD1-CD 4.42Å; Y451-K748 HydrophobicContact CE1-CB 3.8Å; Y451-K748 HydrophobicContact CE1-CD 3.63Å; Y451-K748 HydrophobicContact CE1-CG 4.32Å; Y451-L848 HydrophobicContact CD1-CD1 4.32Å; Y451-L848 HydrophobicContact CE1-CD2 4.41Å; Y451-L848 HydrophobicContact CG-CD1 4.42Å; Y451-T852 HydrophobicContact CE2-CG2 3.98Å; Y451-N854 HydrophobicContact CD2-CB 4.24Å; Y451-N854 HydrophobicContact CE2-CB 4.15Å; Y451-R855 PolarHBondContact N-O 3.06Å; Y451-C857 PolarHBondContact O-N 2.84Å
452	L	96.4	Very high	91.7	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.01	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.6	168.3	177.9	65.8	0	0	0	108.6	L742 I747 K748 I749 W750 C857 I859	L452-L742 HydrophobicContact CD2-CD1 3.67Å; L452-I747 HydrophobicContact CB-CG2 3.72Å; L452-K748 PolarHBondContact N-O 3.34Å; L452-I749 HydrophobicContact CB-CG1 4.46Å; L452-I749 CarbonylContact O-C 3.11Å; L452-I749 VanDerWaalsContact O-CA 3.32Å; L452-I749 WeakPolarHBondContact O-CA 3.49Å; L452-W750 PolarHBondContact O-N 2.89Å; L452-C857 CarbonylContact C-O 3.5Å; L452-C857 WeakPolarHBondContact CA-O 3.23Å; L452-C857 HydrophobicContact CD1-CB 4.08Å; L452-I859 HydrophobicContact CD1-CG2 4.04Å
453	L	96.6	Very high	91	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.6	171.8	-57.4	99.8	0	0	0	108.2	W750 L752 I844 V845 L848 T856 C857 A858 I859 M868	L453-W750 CarbonylContact C-O 3.59Å; L453-W750 VanDerWaalsContact CA-O 3.3Å; L453-W750 WeakPolarHBondContact CA-O 3.48Å; L453-W750 HydrophobicContact CG-CB 4.43Å; L453-L752 HydrophobicContact CB-CD1 4.27Å; L453-L752 HydrophobicContact CD2-CD1 3.47Å; L453-L752 VanDerWaalsContact CD2-CD1 3.47Å; L453-L752 HydrophobicContact CD2-CG 4.17Å; L453-I844 HydrophobicContact CD2-CG2 4.03Å; L453-V845 HydrophobicContact CD1-CG2 4.03Å; L453-V845 HydrophobicContact CD2-CG2 3.75Å; L453-V845 HydrophobicContact CG-CG2 4.37Å; L453-L848 HydrophobicContact CD1-CD1 4.33Å; L453-L848 HydrophobicContact CD2-CD1 4.01Å; L453-L848 HydrophobicContact CG-CD1 4.45Å; L453-T856 HydrophobicContact CD1-CG2 4.43Å; L453-C857 WeakPolarHBondContact CD1-O 3.4Å; L453-C857 PolarHBondContact N-O 3.4Å; L453-A858 CarbonylContact O-C 3.57Å; L453-A858 VanDerWaalsContact O-CA 3.27Å; L453-A858 WeakPolarHBondContact O-CA 3.46Å; L453-I859 PolarHBondContact O-N 3.36Å; L453-M868 HydrophobicContact CB-SD 4.06Å
454	T	95.3	Very high	90.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139	-176.9	-174.4	0	0	0	0	110.6	T459 L460 I749 W750 M751 L752 I859	T454-T459 WeakPolarHBondContact OG1-CG2 3.49Å; T454-L460 HydrophobicContact CG2-CD1 3.94Å; T454-L460 HydrophobicContact CG2-CG 4.45Å; T454-I749 HydrophobicContact CG2-CG2 4.01Å; T454-W750 PolarHBondContact N-O 3.46Å; T454-M751 HydrophobicContact CG2-CB 4.42Å; T454-M751 CarbonylContact O-C 3.6Å; T454-M751 WeakPolarHBondContact O-CA 3.3Å; T454-L752 PolarHBondContact O-N 3.34Å; T454-I859 WeakPolarHBondContact OG1-CG2 3.48Å
455	D	92.2	Very high	90.3	Very high	8 Å²	8	14.2 Å²	14.2	4%	0.043	7%	0.072	C	C	.	.			trans	-73.9	163	162.3	-166.4	61.4	0	0	0	111.1	T457 T459 L460 K841 I859 D865	D455-T457 PolarHBondContact OD2-N 3.37Å; D455-T459 WeakPolarHBondContact O-CB 3.47Å; D455-T459 WeakPolarHBondContact O-CG2 3.5Å; D455-L460 WeakPolarHBondContact O-CG 3.37Å; D455-K841 IonicContact OD1-NZ 3.6Å; D455-K841 PolarHBondContact OD1-NZ 3.47Å; D455-I859 PolarHBondContact N-O 3.45Å; D455-D865 WeakPolarHBondContact CB-OD2 3.48Å
456	K	89.5	Confident	90.2	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.013	8%	0.084	C	C	.	.	S	Bend	trans	-92.9	-57.3	178.7	-175.8	-122.2	70.1	167.8	0	111.3	L460 T461 D729 M751 D755 T759 I763	K456-L460 PolarHBondContact O-N 2.89Å; K456-L460 VanDerWaalsContact O-N 3.09Å; K456-T461 PolarHBondContact O-N 3.32Å; K456-T461 VanDerWaalsContact O-N 3.14Å; K456-D729 IonicContact NZ-OD2 3.24Å; K456-D729 PolarHBondContact NZ-OD2 2.94Å; K456-M751 HydrophobicContact CB-CG 4.37Å; K456-M751 HydrophobicContact CB-SD 4.24Å; K456-M751 HydrophobicContact CG-SD 4.27Å; K456-D755 VanDerWaalsContact CD-OD2 3.29Å; K456-D755 WeakPolarHBondContact CD-OD2 3.38Å; K456-D755 VanDerWaalsContact CE-OD2 3.3Å; K456-D755 WeakPolarHBondContact CE-OD2 3.29Å; K456-D755 IonicContact NZ-OD1 2.78Å; K456-D755 IonicContact NZ-OD2 3.2Å; K456-D755 PolarHBondContact NZ-OD2 3.39Å; K456-T759 HydrophobicContact CD-CG2 4.49Å; K456-I763 HydrophobicContact CD-CB 4.49Å; K456-I763 HydrophobicContact CD-CG1 3.94Å; K456-I763 HydrophobicContact CG-CB 4.1Å; K456-I763 HydrophobicContact CG-CG1 4.03Å; K456-I763 HydrophobicContact CG-CG2 3.87Å
457	T	84.1	Confident	90.1	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.043	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	134.9	-171.1	-54.5	0	0	0	0	108.3	T260 D455 T459 N463	T260-T457 HydrophobicContact CG2-CG2 4.3Å; D455-T457 PolarHBondContact OD2-N 3.37Å; T457-T459 PolarHBondContact O-N 3.24Å; T457-N463 HydrophobicContact CG2-CB 4.46Å
458	G	80.6	Confident	89.9	Confident	9 Å²	9	18.8 Å²	18.8	9%	0.093	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	-10.1	176.9	0	0	0	0	0	116	T461 Q732 D861	G458-T461 CarbonylContact C-O 3.58Å; G458-T461 VanDerWaalsContact CA-O 3.32Å; G458-T461 WeakPolarHBondContact CA-O 3.37Å; G458-T461 PolarHBondContact N-O 3.3Å; G458-Q732 PolarHBondContact O-NE2 3.49Å; G458-D861 VanDerWaalsContact C-CG 3.47Å; G458-D861 VanDerWaalsContact CA-OD2 3.24Å; G458-D861 WeakPolarHBondContact CA-OD2 3.28Å
459	T	89.6	Confident	89.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-60.3	178.2	-64.1	0	0	0	0	111.9	T454 D455 T457 Q732 I859 G860 D861 I878 F897	T454-T459 WeakPolarHBondContact OG1-CG2 3.49Å; D455-T459 WeakPolarHBondContact O-CB 3.47Å; D455-T459 WeakPolarHBondContact O-CG2 3.5Å; T457-T459 PolarHBondContact O-N 3.24Å; T459-Q732 PolarHBondContact O-NE2 3.44Å; T459-Q732 VanDerWaalsContact O-NE2 3.14Å; T459-I859 HydrophobicContact CG2-CD1 4.49Å; T459-I859 HydrophobicContact CG2-CG1 4.18Å; T459-I859 HydrophobicContact CG2-CG2 4.12Å; T459-G860 WeakPolarHBondContact OG1-CA 3.46Å; T459-D861 PolarHBondContact OG1-N 3.19Å; T459-D861 PolarHBondContact OG1-OD1 3.05Å; T459-I878 HydrophobicContact CG2-CD1 3.79Å; T459-F897 HydrophobicContact CG2-CD2 3.97Å; T459-F897 HydrophobicContact CG2-CE2 4.35Å; T459-F897 WeakPolarHBondContact O-CB 3.43Å
460	L	91.9	Very high	89.8	Confident	1 Å²	1	21 Å²	21	1%	0.005	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-33.1	174.7	-66.9	174.3	0	0	0	111.2	T454 D455 K456 L731 Q732 V735 L739 M751 F897	T454-L460 HydrophobicContact CG2-CD1 3.94Å; T454-L460 HydrophobicContact CG2-CG 4.45Å; D455-L460 WeakPolarHBondContact O-CG 3.37Å; K456-L460 PolarHBondContact O-N 2.89Å; K456-L460 VanDerWaalsContact O-N 3.09Å; L460-L731 CarbonylContact O-C 3.59Å; L460-L731 WeakPolarHBondContact O-CA 3.2Å; L460-Q732 PolarHBondContact O-N 3.12Å; L460-V735 HydrophobicContact CD2-CG1 3.72Å; L460-L739 HydrophobicContact CD2-CD1 4.36Å; L460-L739 HydrophobicContact CD2-CD2 4.49Å; L460-M751 HydrophobicContact CD1-CE 3.49Å; L460-M751 VanDerWaalsContact CD1-CE 3.49Å; L460-F897 HydrophobicContact CD2-CD1 4.34Å; L460-F897 HydrophobicContact CD2-CD2 3.93Å; L460-F897 HydrophobicContact CD2-CE1 4.03Å; L460-F897 HydrophobicContact CD2-CE2 3.59Å; L460-F897 HydrophobicContact CD2-CG 4.31Å; L460-F897 HydrophobicContact CD2-CZ 3.65Å
461	T	89.6	Confident	89.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	156.9	177	73.4	0	0	0	0	111.6	K456 G458 D729 Q730 L731 I763	K456-T461 PolarHBondContact O-N 3.32Å; K456-T461 VanDerWaalsContact O-N 3.14Å; G458-T461 CarbonylContact C-O 3.58Å; G458-T461 VanDerWaalsContact CA-O 3.32Å; G458-T461 WeakPolarHBondContact CA-O 3.37Å; G458-T461 PolarHBondContact N-O 3.3Å; T461-D729 WeakPolarHBondContact CB-OD1 3.33Å; T461-D729 PolarHBondContact OG1-OD1 3.38Å; T461-Q730 CarbonylContact C-O 3.56Å; T461-Q730 VanDerWaalsContact CA-O 3.27Å; T461-Q730 WeakPolarHBondContact CA-O 3.35Å; T461-Q730 WeakPolarHBondContact CB-O 3.41Å; T461-L731 HydrophobicContact CG2-CD2 4.22Å; T461-I763 HydrophobicContact CG2-CD1 3.78Å; T461-I763 HydrophobicContact CG2-CG1 4.21Å; T461-I763 HydrophobicContact CG2-CG2 4.32Å
462	Q	85.4	Confident	89.3	Confident	72 Å²	72	20.6 Å²	20.6	34%	0.336	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-3.2	171.2	-62.9	-176.3	42.5	0	0	112.1	E464 Q730 L731 Q732	Q462-E464 HydrophobicContact CB-CG 4.44Å; Q462-E464 PolarHBondContact O-N 2.95Å; Q462-Q730 PolarHBondContact N-O 3.03Å; Q462-L731 PolarHBondContact NE2-O 3Å; Q462-Q732 HydrophobicContact CG-CB 4.26Å; Q462-Q732 HydrophobicContact CG-CG 3.83Å
463	N	77.9	Confident	88.7	Confident	38 Å²	38	21.5 Å²	21.5	20%	0.203	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.6	41.6	-170	-163.1	62.3	0	0	0	112.5	T260 T457	T260-N463 WeakPolarHBondContact CB-ND2 3.21Å; T260-N463 HydrophobicContact CG2-CB 4.47Å; T260-N463 VanDerWaalsContact CG2-CG 3.49Å; T260-N463 WeakPolarHBondContact CG2-ND2 3.47Å; T260-N463 PolarHBondContact OG1-ND2 3.41Å; T260-N463 PolarHBondContact OG1-OD1 3.43Å; T457-N463 HydrophobicContact CG2-CB 4.46Å
464	E	83.8	Confident	87.8	Confident	77 Å²	77	26.5 Å²	26.5	36%	0.36	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	109.8	173.8	-70.9	-170.6	-177.2	0	0	108.5	Q462 Q730 K881	Q462-E464 HydrophobicContact CB-CG 4.44Å; Q462-E464 PolarHBondContact O-N 2.95Å; E464-Q730 PolarHBondContact O-N 3.22Å; E464-K881 IonicContact OE1-NZ 2.66Å; E464-K881 PolarHBondContact OE1-NZ 3.17Å
465	M	86.8	Confident	87.4	Confident	22 Å²	22	29 Å²	29	11%	0.108	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.6	177.7	-59.2	-56.6	170.1	0	0	109.3	P576 D577 A580 R673 V727 E728 D729	M465-P576 HydrophobicContact CB-CB 4.43Å; M465-P576 HydrophobicContact CE-CG 3.97Å; M465-P576 HydrophobicContact CG-CB 3.67Å; M465-P576 HydrophobicContact CG-CG 3.86Å; M465-D577 WeakPolarHBondContact CG-OD1 3.37Å; M465-A580 HydrophobicContact CB-CB 3.75Å; M465-A580 VanDerWaalsContact O-CB 3.26Å; M465-A580 WeakPolarHBondContact O-CB 3.38Å; M465-R673 VanDerWaalsContact CE-NH2 3.34Å; M465-V727 HydrophobicContact CB-CG1 3.89Å; M465-E728 WeakPolarHBondContact CA-O 3.3Å; M465-D729 HydrophobicContact CE-CB 4.01Å; M465-D729 HydrophobicContact SD-CB 3.54Å; M465-D729 VanDerWaalsContact SD-CB 3.54Å
466	V	89.9	Confident	87.1	Confident	44 Å²	44	31 Å²	31	27%	0.267	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.6	-179.8	177.2	0	0	0	0	110.2	K468 E728 Q730	V466-K468 HydrophobicContact CG1-CD 4.2Å; V466-K468 PolarHBondContact O-N 3.22Å; V466-E728 PolarHBondContact N-O 3.2Å; V466-E728 PolarHBondContact O-N 2.69Å; V466-Q730 HydrophobicContact CG2-CG 4.2Å
467	F	91.6	Very high	87.1	Confident	15 Å²	15	31.4 Å²	31.4	7%	0.066	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	126	171.8	-171	-88.9	0	0	0	110.2	R469 L470 M482 L581 W584 T725 V727	F467-R469 WeakPolarHBondContact CZ-O 3.49Å; F467-L470 HydrophobicContact CE1-CB 4.09Å; F467-L470 HydrophobicContact CZ-CB 3.83Å; F467-L470 HydrophobicContact CZ-CD1 4.16Å; F467-M482 HydrophobicContact CD1-SD 4.49Å; F467-M482 HydrophobicContact CE1-CE 3.98Å; F467-M482 HydrophobicContact CE1-SD 4.1Å; F467-L581 HydrophobicContact CD2-CD2 3.59Å; F467-L581 HydrophobicContact CE2-CD2 3.65Å; F467-W584 HydrophobicContact CB-CB 3.75Å; F467-W584 HydrophobicContact CB-CG 3.92Å; F467-W584 HydrophobicContact CD1-CB 4.37Å; F467-W584 AromaticContact CD1-CD1 3.44Å; F467-W584 VanDerWaalsContact CD1-CD1 3.44Å; F467-W584 AromaticContact CD1-CD2 3.78Å; F467-W584 HydrophobicContact CD1-CD2 3.78Å; F467-W584 AromaticContact CD1-CE2 3.72Å; F467-W584 AromaticContact CD1-CG 3.6Å; F467-W584 HydrophobicContact CD1-CG 3.6Å; F467-W584 HydrophobicContact CD1-CZ2 4.49Å; F467-W584 AromaticContact CD1-NE1 3.49Å; F467-W584 HydrophobicContact CD2-CB 4.48Å; F467-W584 HydrophobicContact CD2-CD2 4.23Å; F467-W584 HydrophobicContact CD2-CE3 4.4Å; F467-W584 HydrophobicContact CD2-CG 4.26Å; F467-W584 AromaticContact CE1-CD2 3.81Å; F467-W584 HydrophobicContact CE1-CD2 3.81Å; F467-W584 AromaticContact CE1-CE2 3.44Å; F467-W584 VanDerWaalsContact CE1-CE2 3.44Å; F467-W584 HydrophobicContact CE1-CE3 4.44Å; F467-W584 HydrophobicContact CE1-CG 4.14Å; F467-W584 HydrophobicContact CE1-CH2 4.39Å; F467-W584 AromaticContact CE1-CZ2 3.77Å; F467-W584 HydrophobicContact CE1-CZ2 3.77Å; F467-W584 AromaticContact CE1-NE1 3.58Å; F467-W584 HydrophobicContact CE2-CD2 4.22Å; F467-W584 HydrophobicContact CE2-CE3 4.16Å; F467-W584 HydrophobicContact CE2-CZ3 4.43Å; F467-W584 HydrophobicContact CG-CB 3.96Å; F467-W584 AromaticContact CG-CD1 3.93Å; F467-W584 AromaticContact CG-CD2 3.99Å; F467-W584 HydrophobicContact CG-CD2 3.99Å; F467-W584 AromaticContact CG-CG 3.66Å; F467-W584 HydrophobicContact CG-CG 3.66Å; F467-W584 HydrophobicContact CZ-CD2 4.02Å; F467-W584 AromaticContact CZ-CE2 3.9Å; F467-W584 HydrophobicContact CZ-CE3 4.19Å; F467-W584 HydrophobicContact CZ-CH2 4.1Å; F467-W584 AromaticContact CZ-CZ2 3.95Å; F467-W584 HydrophobicContact CZ-CZ2 3.95Å; F467-W584 HydrophobicContact CZ-CZ3 4.23Å; F467-T725 HydrophobicContact CE2-CG2 3.77Å; F467-T725 HydrophobicContact CZ-CG2 4.23Å; F467-V727 HydrophobicContact CD2-CG2 4.44Å
468	K	90.4	Very high	87.2	Confident	40 Å²	40	31.9 Å²	31.9	17%	0.174	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-34.4	-175.5	-72.2	-56.2	-166.2	-173.1	0	114.2	V466 N479 L672 G726 E728	V466-K468 HydrophobicContact CG1-CD 4.2Å; V466-K468 PolarHBondContact O-N 3.22Å; K468-N479 WeakPolarHBondContact CD-ND2 3.46Å; K468-N479 WeakPolarHBondContact CD-OD1 3.34Å; K468-N479 PolarHBondContact NZ-ND2 3.46Å; K468-N479 PolarHBondContact O-OD1 3.3Å; K468-L672 HydrophobicContact CB-CD1 4.42Å; K468-L672 HydrophobicContact CB-CD2 3.92Å; K468-L672 HydrophobicContact CG-CD2 4.1Å; K468-G726 PolarHBondContact N-O 3.24Å; K468-E728 WeakPolarHBondContact CE-OE2 3.45Å; K468-E728 HydrophobicContact CG-CB 3.58Å
469	R	91.3	Very high	87.1	Confident	70 Å²	70	35.5 Å²	35.5	26%	0.264	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.2	-176.3	-73.8	-152.1	178.4	172	12.6	113.7	F467 Y477 M667 E670 L672 T725 G726	F467-R469 WeakPolarHBondContact CZ-O 3.49Å; R469-Y477 WeakPolarHBondContact CA-O 3.2Å; R469-M667 HydrophobicContact CB-CE 4.09Å; R469-M667 HydrophobicContact CB-SD 4.42Å; R469-E670 IonicContact CZ-OE1 3.27Å; R469-E670 VanDerWaalsContact CZ-OE1 3.3Å; R469-E670 IonicContact CZ-OE2 3.22Å; R469-E670 IonicContact NE-OE2 3.18Å; R469-E670 PolarHBondContact NE-OE2 2.72Å; R469-E670 IonicContact NH1-OE1 2.73Å; R469-E670 PolarHBondContact NH1-OE1 3.42Å; R469-E670 IonicContact NH1-OE2 2.91Å; R469-E670 IonicContact NH2-OE1 3.79Å; R469-E670 PolarHBondContact NH2-OE1 2.89Å; R469-E670 IonicContact NH2-OE2 2.7Å; R469-E670 PolarHBondContact NH2-OE2 2.88Å; R469-L672 HydrophobicContact CB-CD1 4.22Å; R469-L672 HydrophobicContact CG-CD1 3.95Å; R469-T725 CarbonylContact O-C 3.57Å; R469-T725 WeakPolarHBondContact O-CA 3.35Å; R469-G726 PolarHBondContact N-O 3.27Å; R469-G726 VanDerWaalsContact N-O 3.13Å; R469-G726 PolarHBondContact O-N 3.38Å
470	L	92.5	Very high	86.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.3	168.1	-175.8	69.1	0	0	0	108.9	F467 L472 Y477 M482 I485 W584 C723 T725	F467-L470 HydrophobicContact CE1-CB 4.09Å; F467-L470 HydrophobicContact CZ-CB 3.83Å; F467-L470 HydrophobicContact CZ-CD1 4.16Å; L470-L472 HydrophobicContact CD2-CD2 4.39Å; L470-L472 HydrophobicContact CG-CD2 4.3Å; L470-Y477 PolarHBondContact N-O 3.31Å; L470-Y477 PolarHBondContact O-N 3.07Å; L470-M482 HydrophobicContact CB-CE 4.33Å; L470-I485 HydrophobicContact CD2-CD1 3.83Å; L470-W584 HydrophobicContact CD1-CH2 4.46Å; L470-W584 HydrophobicContact CD2-CH2 3.96Å; L470-W584 HydrophobicContact CD2-CZ2 4.17Å; L470-C723 HydrophobicContact CD1-CB 3.77Å; L470-T725 HydrophobicContact CD1-CG2 3.92Å
471	H	91.9	Very high	86.2	Confident	13 Å²	13	45.4 Å²	45.4	6%	0.06	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.6	178.1	-164.4	-75	0	0	0	110.9	G473 A476 W659 E663 M667 C723 L724	H471-G473 WeakPolarHBondContact CE1-CA 3.23Å; H471-G473 PolarHBondContact CE1-N 3.07Å; H471-G473 PolarHBondContact CE1-O 2.91Å; H471-G473 WeakPolarHBondContact ND1-CA 3.48Å; H471-G473 PolarHBondContact ND1-N 3.36Å; H471-A476 WeakPolarHBondContact CD2-CB 3.3Å; H471-W659 HydrophobicContact CB-CZ3 4.46Å; H471-W659 AromaticContact CE1-CE3 3.64Å; H471-W659 AromaticContact CE1-CZ3 3.81Å; H471-W659 AromaticContact ND1-CE3 3.43Å; H471-W659 AromaticContact ND1-CH2 3.7Å; H471-W659 AromaticContact ND1-CZ3 3.1Å; H471-W659 WeakPolarHBondContact ND1-CZ3 3.37Å; H471-E663 IonicContact CD2-OE2 3.09Å; H471-E663 IonicContact NE2-OE2 3.73Å; H471-M667 HydrophobicContact CB-CE 3.57Å; H471-C723 CarbonylContact O-C 3.46Å; H471-C723 VanDerWaalsContact O-CA 3.29Å; H471-C723 WeakPolarHBondContact O-CA 3.24Å; H471-L724 HydrophobicContact CB-CB 4.2Å; H471-L724 PolarHBondContact N-O 2.83Å; H471-L724 PolarHBondContact O-N 3.22Å
472	L	89.1	Confident	85.8	Confident	11 Å²	11	46.5 Å²	46.5	6%	0.058	26%	0.26	C	S	.	.			trans	-112	19.5	-177	-56.6	179	0	0	0	112.5	L470 T474 V475 Y477 I529 A532 C723	L470-L472 HydrophobicContact CD2-CD2 4.39Å; L470-L472 HydrophobicContact CG-CD2 4.3Å; L472-T474 PolarHBondContact O-N 3.2Å; L472-V475 PolarHBondContact N-O 3.14Å; L472-Y477 HydrophobicContact CD1-CE2 4.05Å; L472-I529 HydrophobicContact CD1-CB 4.4Å; L472-I529 HydrophobicContact CD1-CG1 3.47Å; L472-I529 VanDerWaalsContact CD1-CG1 3.47Å; L472-A532 HydrophobicContact CD2-CB 3.73Å; L472-C723 HydrophobicContact CD2-CB 3.46Å; L472-C723 VanDerWaalsContact CD2-CB 3.46Å
473	G	82.4	Confident	85.7	Confident	22 Å²	22	49 Å²	49	23%	0.227	28%	0.275	C	S	.	.	S	Bend	trans	83.1	-51.2	-178.2	0	0	0	0	0	113.7	H471	H471-G473 WeakPolarHBondContact CE1-CA 3.23Å; H471-G473 PolarHBondContact CE1-N 3.07Å; H471-G473 PolarHBondContact CE1-O 2.91Å; H471-G473 WeakPolarHBondContact ND1-CA 3.48Å; H471-G473 PolarHBondContact ND1-N 3.36Å
474	T	79.1	Confident	86	Confident	104 Å²	104	52 Å²	52	64%	0.638	29%	0.288	S	S	*	.	S	Bend	trans	-90.8	-23.7	179.9	50.9	0	0	0	0	113.8	L472	L472-T474 PolarHBondContact O-N 3.2Å
475	V	85.8	Confident	85.9	Confident	52 Å²	52	48.3 Å²	48.3	32%	0.315	27%	0.271	S	S	.	.			trans	-140.8	139.2	-176.6	-173.1	0	0	0	0	108.9	L472 Y477	L472-V475 PolarHBondContact N-O 3.14Å; V475-Y477 HydrophobicContact CB-CE2 4.15Å; V475-Y477 HydrophobicContact CG1-CD2 4.3Å; V475-Y477 HydrophobicContact CG1-CE1 4.14Å; V475-Y477 HydrophobicContact CG1-CE2 3.72Å
476	A	86.6	Confident	85.8	Confident	51 Å²	51	51.4 Å²	51.4	42%	0.421	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.7	173.3	0	0	0	0	0	109.1	H471	H471-A476 WeakPolarHBondContact CD2-CB 3.3Å
477	Y	88.8	Confident	85.5	Confident	11 Å²	11	51.8 Å²	51.8	4%	0.043	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.9	172.8	-60.8	-85.2	0	0	0	108.7	R469 L470 L472 V475 T481 M482 E484 I485 I529	R469-Y477 WeakPolarHBondContact CA-O 3.2Å; L470-Y477 PolarHBondContact N-O 3.31Å; L470-Y477 PolarHBondContact O-N 3.07Å; L472-Y477 HydrophobicContact CD1-CE2 4.05Å; V475-Y477 HydrophobicContact CB-CE2 4.15Å; V475-Y477 HydrophobicContact CG1-CD2 4.3Å; V475-Y477 HydrophobicContact CG1-CE1 4.14Å; V475-Y477 HydrophobicContact CG1-CE2 3.72Å; Y477-T481 WeakPolarHBondContact CA-OG1 3.47Å; Y477-M482 WeakPolarHBondContact O-CE 3.4Å; Y477-E484 HydrophobicContact CE1-CB 4.46Å; Y477-I485 HydrophobicContact CD1-CD1 4.3Å; Y477-I485 HydrophobicContact CD1-CG1 3.98Å; Y477-I485 HydrophobicContact CD2-CD1 4.18Å; Y477-I485 HydrophobicContact CD2-CG1 4.39Å; Y477-I485 HydrophobicContact CE1-CG1 4.33Å; Y477-I485 HydrophobicContact CG-CD1 3.85Å; Y477-I485 HydrophobicContact CG-CG1 4.02Å; Y477-I529 HydrophobicContact CE2-CD1 4.33Å; Y477-I529 HydrophobicContact CE2-CG1 4.43Å; Y477-I529 WeakPolarHBondContact OH-CD1 3.46Å
478	G	86.5	Confident	85.1	Confident	18 Å²	18	53 Å²	53	19%	0.186	30%	0.295	C	S	.	.			trans	-111.2	-178.5	167.6	0	0	0	0	0	111.7	D480 T481 M482	G478-D480 VanDerWaalsContact C-N 3.25Å; G478-D480 PolarHBondContact O-N 2.82Å; G478-D480 VanDerWaalsContact O-N 3.1Å; G478-T481 PolarHBondContact N-OG1 3.23Å; G478-T481 PolarHBondContact O-N 3.13Å; G478-T481 PolarHBondContact O-OG1 3.42Å; G478-M482 WeakPolarHBondContact O-CG 3.3Å; G478-M482 PolarHBondContact O-N 3.45Å
479	N	78.1	Confident	84.8	Confident	84 Å²	84	51 Å²	51	45%	0.449	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-45.3	-45.3	-176.6	-63.9	-22.5	0	0	0	114	K468 T481 M482	K468-N479 WeakPolarHBondContact CD-ND2 3.46Å; K468-N479 WeakPolarHBondContact CD-OD1 3.34Å; K468-N479 PolarHBondContact NZ-ND2 3.46Å; K468-N479 PolarHBondContact O-OD1 3.3Å; N479-T481 PolarHBondContact O-N 3.02Å; N479-M482 PolarHBondContact O-N 2.95Å
480	D	79.2	Confident	84.4	Confident	162 Å²	162	50.9 Å²	50.9	87%	0.866	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-74	-12.5	-174.1	-53	-29.3	0	0	0	113.4	G478	G478-D480 VanDerWaalsContact C-N 3.25Å; G478-D480 PolarHBondContact O-N 2.82Å; G478-D480 VanDerWaalsContact O-N 3.1Å
481	T	83.6	Confident	83.9	Confident	48 Å²	48	56.2 Å²	56.2	29%	0.294	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-116.7	2.9	-176.2	54	0	0	0	0	112.9	Y477 G478 N479 D483 E484	Y477-T481 WeakPolarHBondContact CA-OG1 3.47Å; G478-T481 PolarHBondContact N-OG1 3.23Å; G478-T481 PolarHBondContact O-N 3.13Å; G478-T481 PolarHBondContact O-OG1 3.42Å; N479-T481 PolarHBondContact O-N 3.02Å; T481-D483 VanDerWaalsContact C-N 3.28Å; T481-D483 PolarHBondContact O-N 3.37Å; T481-E484 WeakPolarHBondContact O-CB 3.11Å; T481-E484 PolarHBondContact O-N 2.92Å
482	M	80.9	Confident	83.3	Confident	23 Å²	23	57.4 Å²	57.4	11%	0.113	33%	0.328	C	S	.	.	H	α-helix	trans	-65.4	-30.7	-176.8	-77.1	-64.2	145.1	0	0	112.9	F467 L470 Y477 G478 N479 E484 I485 W584	F467-M482 HydrophobicContact CD1-SD 4.49Å; F467-M482 HydrophobicContact CE1-CE 3.98Å; F467-M482 HydrophobicContact CE1-SD 4.1Å; L470-M482 HydrophobicContact CB-CE 4.33Å; Y477-M482 WeakPolarHBondContact O-CE 3.4Å; G478-M482 WeakPolarHBondContact O-CG 3.3Å; G478-M482 PolarHBondContact O-N 3.45Å; N479-M482 PolarHBondContact O-N 2.95Å; M482-E484 PolarHBondContact O-N 3.35Å; M482-I485 HydrophobicContact CE-CD1 4.31Å; M482-I485 WeakPolarHBondContact O-CB 3.37Å; M482-I485 PolarHBondContact O-N 2.78Å; M482-I485 HydrophobicContact SD-CD1 3.55Å; M482-I485 VanDerWaalsContact SD-CD1 3.55Å; M482-W584 HydrophobicContact SD-CZ2 4.39Å
483	D	82.6	Confident	82.9	Confident	123 Å²	123	58.6 Å²	58.6	66%	0.658	33%	0.332	S	S	*	.	H	α-helix	trans	-61.9	-27.3	179.4	-62.5	-19.3	0	0	0	112.3	T481 I485 Q486 S487	T481-D483 VanDerWaalsContact C-N 3.28Å; T481-D483 PolarHBondContact O-N 3.37Å; D483-I485 VanDerWaalsContact C-N 3.29Å; D483-I485 PolarHBondContact O-N 2.84Å; D483-Q486 PolarHBondContact O-N 3.38Å; D483-S487 PolarHBondContact O-N 3.11Å
484	E	84.6	Confident	82.1	Confident	102 Å²	102	61.1 Å²	61.1	48%	0.477	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-37.6	175.7	-61.6	-173.1	177.3	0	0	111.4	Y477 T481 M482 Q486 S487 H488	Y477-E484 HydrophobicContact CE1-CB 4.46Å; T481-E484 WeakPolarHBondContact O-CB 3.11Å; T481-E484 PolarHBondContact O-N 2.92Å; M482-E484 PolarHBondContact O-N 3.35Å; E484-Q486 VanDerWaalsContact C-N 3.34Å; E484-Q486 PolarHBondContact O-N 2.58Å; E484-S487 PolarHBondContact O-N 2.95Å; E484-S487 PolarHBondContact O-OG 3.39Å; E484-H488 PolarHBondContact O-CD2 3.01Å; E484-H488 PolarHBondContact O-N 3.42Å; E484-H488 VanDerWaalsContact O-N 3.14Å
485	I	83.3	Confident	81.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62.1	-44.1	179.6	-56.3	-178.7	0	0	0	110.2	L470 Y477 M482 D483 S487 H488 I489 I529 V533 W584 V588	L470-I485 HydrophobicContact CD2-CD1 3.83Å; Y477-I485 HydrophobicContact CD1-CD1 4.3Å; Y477-I485 HydrophobicContact CD1-CG1 3.98Å; Y477-I485 HydrophobicContact CD2-CD1 4.18Å; Y477-I485 HydrophobicContact CD2-CG1 4.39Å; Y477-I485 HydrophobicContact CE1-CG1 4.33Å; Y477-I485 HydrophobicContact CG-CD1 3.85Å; Y477-I485 HydrophobicContact CG-CG1 4.02Å; M482-I485 HydrophobicContact CE-CD1 4.31Å; M482-I485 WeakPolarHBondContact O-CB 3.37Å; M482-I485 PolarHBondContact O-N 2.78Å; M482-I485 HydrophobicContact SD-CD1 3.55Å; M482-I485 VanDerWaalsContact SD-CD1 3.55Å; D483-I485 VanDerWaalsContact C-N 3.29Å; D483-I485 PolarHBondContact O-N 2.84Å; I485-S487 VanDerWaalsContact C-N 3.3Å; I485-S487 PolarHBondContact O-N 2.91Å; I485-H488 PolarHBondContact O-N 3.35Å; I485-I489 HydrophobicContact CG2-CG1 4.39Å; I485-I489 WeakPolarHBondContact O-CG1 3.49Å; I485-I489 PolarHBondContact O-N 3.32Å; I485-I529 HydrophobicContact CG2-CG2 3.71Å; I485-V533 HydrophobicContact CG2-CG2 3.98Å; I485-W584 HydrophobicContact CD1-CZ2 4.01Å; I485-W584 HydrophobicContact CG2-CZ2 4.47Å; I485-V588 HydrophobicContact CB-CG1 4.4Å; I485-V588 HydrophobicContact CG2-CG1 3.64Å; I485-V588 HydrophobicContact CG2-CG2 4.47Å
486	Q	83.4	Confident	79.2	Confident	86 Å²	86	63.7 Å²	63.7	40%	0.402	37%	0.366	S	S	.	.	H	α-helix	trans	-58.5	-44.4	177.7	-173.1	-178.3	7.5	0	0	110.9	D483 E484 H488 I489 V490	D483-Q486 PolarHBondContact O-N 3.38Å; E484-Q486 VanDerWaalsContact C-N 3.34Å; E484-Q486 PolarHBondContact O-N 2.58Å; Q486-H488 VanDerWaalsContact C-N 3.31Å; Q486-H488 PolarHBondContact O-N 2.97Å; Q486-I489 PolarHBondContact O-N 3.07Å; Q486-V490 VanDerWaalsContact O-CG2 3.31Å; Q486-V490 WeakPolarHBondContact O-CG2 3.25Å; Q486-V490 PolarHBondContact O-N 3.3Å
487	S	83.4	Confident	77.1	Confident	53 Å²	53	67.7 Å²	67.7	37%	0.371	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-39	178.1	80.5	0	0	0	0	112.8	D483 E484 I485 Q491	D483-S487 PolarHBondContact O-N 3.11Å; E484-S487 PolarHBondContact O-N 2.95Å; E484-S487 PolarHBondContact O-OG 3.39Å; I485-S487 VanDerWaalsContact C-N 3.3Å; I485-S487 PolarHBondContact O-N 2.91Å; S487-Q491 VanDerWaalsContact O-CG 3.3Å; S487-Q491 WeakPolarHBondContact O-CG 3.38Å; S487-Q491 PolarHBondContact O-N 3.41Å; S487-Q491 VanDerWaalsContact O-N 3.1Å
488	H	84.3	Confident	74.5	Confident	39 Å²	39	73.7 Å²	73.7	18%	0.181	43%	0.426	C	S	.	.	H	α-helix	trans	-68.4	-38.4	177	-79.7	-66	0	0	0	112.7	E484 I485 Q486 S492 S526 I529	E484-H488 PolarHBondContact O-CD2 3.01Å; E484-H488 PolarHBondContact O-N 3.42Å; E484-H488 VanDerWaalsContact O-N 3.14Å; I485-H488 PolarHBondContact O-N 3.35Å; Q486-H488 VanDerWaalsContact C-N 3.31Å; Q486-H488 PolarHBondContact O-N 2.97Å; H488-S492 WeakPolarHBondContact O-CB 3.44Å; H488-S492 PolarHBondContact O-N 3.02Å; H488-S492 VanDerWaalsContact O-N 3.08Å; H488-S492 PolarHBondContact O-OG 3.02Å; H488-S526 PolarHBondContact ND1-OG 3.1Å; H488-I529 HydrophobicContact CB-CD1 4.28Å; H488-I529 HydrophobicContact CB-CG2 4.46Å
489	I	84.1	Confident	71.9	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-68	-46.6	177.6	-68.8	-74.5	0	0	0	110.5	I485 Q486 Q491 S492 Y493 I529 H530 V533 V588 L590 P605	I485-I489 HydrophobicContact CG2-CG1 4.39Å; I485-I489 WeakPolarHBondContact O-CG1 3.49Å; I485-I489 PolarHBondContact O-N 3.32Å; Q486-I489 PolarHBondContact O-N 3.07Å; I489-Q491 VanDerWaalsContact C-N 3.33Å; I489-Q491 PolarHBondContact O-N 3.18Å; I489-S492 PolarHBondContact O-N 3.13Å; I489-S492 VanDerWaalsContact O-N 3.15Å; I489-Y493 HydrophobicContact CG2-CD2 3.93Å; I489-Y493 HydrophobicContact CG2-CE2 4.05Å; I489-Y493 WeakPolarHBondContact O-CD2 3.47Å; I489-Y493 PolarHBondContact O-N 3.23Å; I489-Y493 VanDerWaalsContact O-N 3.13Å; I489-I529 HydrophobicContact CD1-CG2 4.47Å; I489-H530 HydrophobicContact CD1-CB 4.41Å; I489-V533 HydrophobicContact CD1-CB 3.84Å; I489-V533 HydrophobicContact CD1-CG1 4.19Å; I489-V533 HydrophobicContact CD1-CG2 3.89Å; I489-V533 HydrophobicContact CG1-CG2 4.32Å; I489-V588 HydrophobicContact CB-CG1 4.3Å; I489-V588 HydrophobicContact CG1-CG1 3.77Å; I489-L590 HydrophobicContact CG2-CG 4.43Å; I489-P605 HydrophobicContact CG2-CG 3.9Å
490	V	82.4	Confident	70.1	Confident	66 Å²	66	83.7 Å²	83.7	40%	0.4	48%	0.477	S	S	.	.	H	α-helix	trans	-58.1	-45.4	176.3	173	0	0	0	0	111	Q486 S492 Y493 A494 P605	Q486-V490 VanDerWaalsContact O-CG2 3.31Å; Q486-V490 WeakPolarHBondContact O-CG2 3.25Å; Q486-V490 PolarHBondContact O-N 3.3Å; V490-S492 VanDerWaalsContact C-N 3.32Å; V490-S492 PolarHBondContact O-N 3.13Å; V490-Y493 PolarHBondContact O-N 2.83Å; V490-A494 WeakPolarHBondContact O-CB 3.26Å; V490-A494 PolarHBondContact O-N 3.49Å; V490-P605 HydrophobicContact CG2-CB 3.88Å; V490-P605 HydrophobicContact CG2-CG 4.14Å
491	Q	82	Confident	67.9	Low	113 Å²	113	81.3 Å²	81.3	53%	0.528	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-35.5	177.8	-74.7	175.8	15.1	0	0	113.3	S487 I489	S487-Q491 VanDerWaalsContact O-CG 3.3Å; S487-Q491 WeakPolarHBondContact O-CG 3.38Å; S487-Q491 PolarHBondContact O-N 3.41Å; S487-Q491 VanDerWaalsContact O-N 3.1Å; I489-Q491 VanDerWaalsContact C-N 3.33Å; I489-Q491 PolarHBondContact O-N 3.18Å
492	S	80.2	Confident	65.5	Low	38 Å²	38	82.9 Å²	82.9	27%	0.266	50%	0.498	S	S	.	.	H	α-helix	trans	-70.4	-36.7	-179	-57.2	0	0	0	0	112	H488 I489 V490	H488-S492 WeakPolarHBondContact O-CB 3.44Å; H488-S492 PolarHBondContact O-N 3.02Å; H488-S492 VanDerWaalsContact O-N 3.08Å; H488-S492 PolarHBondContact O-OG 3.02Å; I489-S492 PolarHBondContact O-N 3.13Å; I489-S492 VanDerWaalsContact O-N 3.15Å; V490-S492 VanDerWaalsContact C-N 3.32Å; V490-S492 PolarHBondContact O-N 3.13Å
493	Y	79.2	Confident	63.4	Low	35 Å²	35	86 Å²	86	14%	0.137	54%	0.537	C	S	.	.	H	α-helix	trans	-88.5	-15.8	177.3	-74	-73.4	0	0	0	114.4	I489 V490 H530 L590 T604 L610	I489-Y493 HydrophobicContact CG2-CD2 3.93Å; I489-Y493 HydrophobicContact CG2-CE2 4.05Å; I489-Y493 WeakPolarHBondContact O-CD2 3.47Å; I489-Y493 PolarHBondContact O-N 3.23Å; I489-Y493 VanDerWaalsContact O-N 3.13Å; V490-Y493 PolarHBondContact O-N 2.83Å; Y493-H530 AromaticContact CE1-CE1 3.78Å; Y493-H530 AromaticContact CE2-CE1 3.43Å; Y493-H530 VanDerWaalsContact CE2-CE1 3.43Å; Y493-H530 WeakPolarHBondContact CE2-CE1 3.36Å; Y493-H530 AromaticContact CE2-ND1 3.6Å; Y493-H530 AromaticContact CZ-CE1 3.21Å; Y493-H530 AromaticContact CZ-ND1 3.87Å; Y493-H530 PolarHBondContact OH-CE1 3.01Å; Y493-L590 HydrophobicContact CE2-CD1 4.27Å; Y493-L590 HydrophobicContact CE2-CD2 3.73Å; Y493-L590 HydrophobicContact CE2-CG 4.26Å; Y493-T604 HydrophobicContact CD1-CG2 3.64Å; Y493-T604 HydrophobicContact CE1-CG2 3.57Å; Y493-T604 HydrophobicContact CE2-CG2 4.49Å; Y493-T604 HydrophobicContact CG-CG2 4.14Å; Y493-L610 HydrophobicContact CE1-CD1 3.89Å
494	A	67.2	Low	60.9	Low	75 Å²	75	84 Å²	84	62%	0.62	55%	0.545	S	S	*	.	H	α-helix	trans	-76.2	-20	175.3	0	0	0	0	0	113.6	V490 G496	V490-A494 WeakPolarHBondContact O-CB 3.26Å; V490-A494 PolarHBondContact O-N 3.49Å; A494-G496 PolarHBondContact O-N 2.87Å; A494-G496 VanDerWaalsContact O-N 3.17Å
495	Q	58.4	Low	58.7	Low	159 Å²	159	86.4 Å²	86.4	74%	0.743	57%	0.567	S	S	*	*	S	Bend	trans	-83.3	85	173.1	-66.8	-177.5	13.1	0	0	109.5
496	G	44.3	Very low	56.3	Low	52 Å²	52	90.2 Å²	90.2	54%	0.536	61%	0.606	S	S	.	*			trans	-61	163.3	175	0	0	0	0	0	113.7	A494 T498	A494-G496 PolarHBondContact O-N 2.87Å; A494-G496 VanDerWaalsContact O-N 3.17Å; G496-T498 PolarHBondContact O-N 3.22Å
497	P	42.8	Very low	53.8	Low	134 Å²	134	94.2 Å²	94.2	87%	0.87	63%	0.63	S	S	*	*			trans	-68	123	-169.8	26.9	-32.6	0	0	0	111.9	Q499	P497-Q499 PolarHBondContact O-N 3Å
498	T	33.9	Very low	51.3	Low	138 Å²	138	96.3 Å²	96.3	85%	0.847	65%	0.651	S	S	*	*			trans	-66	112.9	169.5	39.8	0	0	0	0	110.5	G496	G496-T498 PolarHBondContact O-N 3.22Å
499	Q	31.7	Very low	48.7	Very low	174 Å²	174	98.9 Å²	98.9	81%	0.813	68%	0.679	S	S	*	*			trans	-62.3	140.5	164.2	-76	-174.2	-8.4	0	0	110.7	P497 S501	P497-Q499 PolarHBondContact O-N 3Å; Q499-S501 PolarHBondContact O-N 2.81Å
500	P	40.5	Very low	46.6	Very low	137 Å²	137	105.4 Å²	105.4	89%	0.89	72%	0.719	S	S	*	*			trans	-87.6	103.2	168.8	32.1	-25.8	0	0	0	109.3
501	S	33.5	Very low	44.1	Very low	112 Å²	112	107.2 Å²	107.2	78%	0.783	74%	0.74	S	S	*	*			trans	-110.3	121.2	166.7	54.6	0	0	0	0	110.4	Q499	Q499-S501 PolarHBondContact O-N 2.81Å
502	G	32.8	Very low	42	Very low	81 Å²	81	113.4 Å²	113.4	84%	0.835	76%	0.759	S	S	*	*			trans	-85.5	161.6	176.5	0	0	0	0	0	113.7
503	G	36.7	Very low	39.5	Very low	89 Å²	89	116.8 Å²	116.8	92%	0.918	78%	0.782	S	S	*	*			trans	81.2	107.4	147.8	0	0	0	0	0	118.3
504	G	30.9	Very low	37.3	Very low	81 Å²	81	123.2 Å²	123.2	84%	0.835	82%	0.819	S	S	*	*			trans	170.1	103.7	162.3	0	0	0	0	0	114.3
505	T	38.5	Very low	35.9	Very low	153 Å²	153	124.9 Å²	124.9	94%	0.939	82%	0.824	S	S	*	*			trans	-68.4	140.2	175.7	44.2	0	0	0	0	113.6
506	G	31.5	Very low	34.8	Very low	79 Å²	79	123.3 Å²	123.3	81%	0.814	83%	0.827	S	S	*	*			trans	178.9	117.3	165.3	0	0	0	0	0	113.7
507	N	31.6	Very low	34.5	Very low	170 Å²	170	130.5 Å²	130.5	91%	0.909	85%	0.847	S	S	*	*			trans	-66.4	140.6	177.9	-78.9	-22.3	0	0	0	113.3
508	A	30.9	Very low	34	Very low	98 Å²	98	127 Å²	127	81%	0.81	84%	0.835	S	S	*	*				152.9	133	113.3	0	0	0	0	0	114.9
509	A	29.6	Very low	34.3	Very low	93 Å²	93	124.7 Å²	124.7	77%	0.769	82%	0.823	S	S	*	*			trans	69.4	92.4	144.2	0	0	0	0	0	122
510	V	39.8	Very low	34.8	Very low	137 Å²	137	125.9 Å²	125.9	83%	0.83	83%	0.825	S	S	*	*				25.9	110.6	125	-170.2	0	0	0	0	118.9
511	A	29.9	Very low	34.9	Very low	103 Å²	103	124.2 Å²	124.2	85%	0.851	81%	0.812	S	S	*	*			trans	-141.3	119.8	139.8	0	0	0	0	0	109.3
512	R	37.4	Very low	35.5	Very low	243 Å²	243	128.4 Å²	128.4	92%	0.917	81%	0.811	S	S	*	*			trans	-78.2	120.5	-179.5	-73	175	172.8	167.5	-2.9	110.5
513	S	28.1	Very low	36.3	Very low	109 Å²	109	132.8 Å²	132.8	76%	0.762	81%	0.807	S	S	*	*			trans	-150.5	107.6	144.4	53.5	0	0	0	0	108.9	P515	S513-P515 WeakPolarHBondContact O-CD 3.41Å
514	N	33.5	Very low	37.9	Very low	170 Å²	170	131.3 Å²	131.3	91%	0.909	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.4	127.6	169.9	-88.2	-8.7	0	0	0	109.4
515	P	37.1	Very low	40.2	Very low	111 Å²	111	129 Å²	129	72%	0.721	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-83.7	150	149.1	9.4	9.9	0	0	0	109.3	S513	S513-P515 WeakPolarHBondContact O-CD 3.41Å
516	P	36.5	Very low	42.2	Very low	125 Å²	125	122.5 Å²	122.5	81%	0.812	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-70	136.5	-172.8	29.9	-34.5	0	0	0	111.3	G518	P516-G518 PolarHBondContact O-N 2.77Å
517	Q	37.3	Very low	44.7	Very low	203 Å²	203	121.5 Å²	121.5	95%	0.949	69%	0.694	S	S	*	*			trans	-64.7	97.5	163.9	-81.3	178.6	-14.3	0	0	109.4
518	G	32.1	Very low	47.3	Very low	61 Å²	61	119.8 Å²	119.8	63%	0.629	67%	0.674	S	S	*	*			trans	-78.2	149.2	161.6	0	0	0	0	0	111.3	P516	P516-G518 PolarHBondContact O-N 2.77Å
519	P	40.8	Very low	50.1	Low	90 Å²	90	115.1 Å²	115.1	58%	0.584	64%	0.636	S	S	*	*			trans	-77.5	142.2	-155.7	30.3	-34.6	0	0	0	113.7	V521 R522	P519-V521 PolarHBondContact O-N 3.19Å; P519-R522 PolarHBondContact O-N 2.69Å
520	K	41.5	Very low	53	Low	198 Å²	198	112.6 Å²	112.6	86%	0.861	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.6	-21.5	175	-71.2	179.1	176.1	179.4	0	114.4	K523	K520-K523 PolarHBondContact O-N 3.13Å
521	V	43.3	Very low	55.4	Low	102 Å²	102	108.8 Å²	108.8	62%	0.618	58%	0.581	S	S	*	*	H	α-helix	trans	-65.3	-33.6	176.2	-176.6	0	0	0	0	112.7	P519 K523 S524 V525	P519-V521 PolarHBondContact O-N 3.19Å; V521-K523 VanDerWaalsContact C-N 3.28Å; V521-K523 PolarHBondContact O-N 3.2Å; V521-S524 PolarHBondContact O-N 2.74Å; V521-S524 PolarHBondContact O-OG 3.05Å; V521-V525 PolarHBondContact O-N 3.32Å
522	R	44.9	Very low	58.3	Low	200 Å²	200	103.9 Å²	103.9	76%	0.755	54%	0.541	S	S	*	.	H	α-helix	trans	-68.8	-27.6	-178.3	-143.3	176.3	-172.5	178.5	1.6	112.5	P519	P519-R522 PolarHBondContact O-N 2.69Å
523	K	50.3	Low	60.9	Low	173 Å²	173	92.3 Å²	92.3	75%	0.752	50%	0.497	S	S	*	.	H	α-helix	trans	-74.5	-31	173.5	-73.8	-170.5	174.9	-170.2	0	112.7	K520 V521 S527	K520-K523 PolarHBondContact O-N 3.13Å; V521-K523 VanDerWaalsContact C-N 3.28Å; V521-K523 PolarHBondContact O-N 3.2Å; K523-S527 WeakPolarHBondContact O-CB 3.2Å; K523-S527 PolarHBondContact O-N 2.93Å
524	S	69.6	Low	64	Low	58 Å²	58	88.4 Å²	88.4	41%	0.406	47%	0.466	S	S	.	.	H	α-helix	trans	-74.7	-34.6	-179.5	84	0	0	0	0	112.7	V521 R528	V521-S524 PolarHBondContact O-N 2.74Å; V521-S524 PolarHBondContact O-OG 3.05Å; S524-R528 WeakPolarHBondContact O-CG 3.14Å; S524-R528 PolarHBondContact O-N 2.81Å
525	V	79.3	Confident	66.9	Low	32 Å²	32	80.3 Å²	80.3	19%	0.194	42%	0.423	C	S	.	.	H	α-helix	trans	-68.7	-45.3	177	-179.7	0	0	0	0	111	V521 S527 R528 I529	V521-V525 PolarHBondContact O-N 3.32Å; V525-S527 VanDerWaalsContact C-N 3.28Å; V525-S527 PolarHBondContact O-N 2.92Å; V525-R528 PolarHBondContact O-N 3.31Å; V525-I529 HydrophobicContact CG1-CD1 3.99Å; V525-I529 HydrophobicContact CG1-CG1 4.45Å; V525-I529 WeakPolarHBondContact O-CG1 3.22Å; V525-I529 PolarHBondContact O-N 2.88Å
526	S	80.6	Confident	69.6	Low	18 Å²	18	75.3 Å²	75.3	13%	0.126	39%	0.39	C	S	.	.	H	α-helix	trans	-60	-38.7	176.3	-161.5	0	0	0	0	112.2	H488 H530	H488-S526 PolarHBondContact ND1-OG 3.1Å; S526-H530 WeakPolarHBondContact O-CB 3.44Å; S526-H530 PolarHBondContact O-N 2.63Å
527	S	84.5	Confident	72.3	Confident	58 Å²	58	69.3 Å²	69.3	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-66.2	-43	175.2	179.8	0	0	0	0	112.2	K523 V525 H530 E531	K523-S527 WeakPolarHBondContact O-CB 3.2Å; K523-S527 PolarHBondContact O-N 2.93Å; V525-S527 VanDerWaalsContact C-N 3.28Å; V525-S527 PolarHBondContact O-N 2.92Å; S527-H530 PolarHBondContact O-N 3.21Å; S527-E531 WeakPolarHBondContact O-CG 3.49Å; S527-E531 PolarHBondContact O-N 3.34Å
528	R	87.3	Confident	75	Confident	133 Å²	133	59.7 Å²	59.7	50%	0.502	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-39.7	175.5	-74.7	-178.4	177.8	-167.7	-1.9	112.9	S524 V525 E531 A532	S524-R528 WeakPolarHBondContact O-CG 3.14Å; S524-R528 PolarHBondContact O-N 2.81Å; V525-R528 PolarHBondContact O-N 3.31Å; R528-E531 PolarHBondContact O-N 3.24Å; R528-A532 VanDerWaalsContact O-CB 3.31Å; R528-A532 WeakPolarHBondContact O-CB 3.42Å; R528-A532 PolarHBondContact O-N 3.35Å
529	I	89.3	Confident	77.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-50.1	173.7	-68.7	165.1	0	0	0	109.7	L472 Y477 I485 H488 I489 V525 E531 A532 V533	L472-I529 HydrophobicContact CD1-CB 4.4Å; L472-I529 HydrophobicContact CD1-CG1 3.47Å; L472-I529 VanDerWaalsContact CD1-CG1 3.47Å; Y477-I529 HydrophobicContact CE2-CD1 4.33Å; Y477-I529 HydrophobicContact CE2-CG1 4.43Å; Y477-I529 WeakPolarHBondContact OH-CD1 3.46Å; I485-I529 HydrophobicContact CG2-CG2 3.71Å; H488-I529 HydrophobicContact CB-CD1 4.28Å; H488-I529 HydrophobicContact CB-CG2 4.46Å; I489-I529 HydrophobicContact CD1-CG2 4.47Å; V525-I529 HydrophobicContact CG1-CD1 3.99Å; V525-I529 HydrophobicContact CG1-CG1 4.45Å; V525-I529 WeakPolarHBondContact O-CG1 3.22Å; V525-I529 PolarHBondContact O-N 2.88Å; I529-E531 VanDerWaalsContact C-N 3.35Å; I529-E531 PolarHBondContact O-N 2.59Å; I529-A532 PolarHBondContact O-N 3.37Å; I529-V533 HydrophobicContact CG2-CG2 4.18Å; I529-V533 VanDerWaalsContact O-CG2 3.28Å; I529-V533 WeakPolarHBondContact O-CG2 3.23Å; I529-V533 PolarHBondContact O-N 3.21Å
530	H	89.4	Confident	80.3	Confident	40 Å²	40	52.7 Å²	52.7	19%	0.185	25%	0.25	C	C	.	.	H	α-helix	trans	-56.7	-47.6	179.6	175.5	89.5	0	0	0	112.2	I489 Y493 S526 S527 V533 K534	I489-H530 HydrophobicContact CD1-CB 4.41Å; Y493-H530 AromaticContact CE1-CE1 3.78Å; Y493-H530 AromaticContact CE2-CE1 3.43Å; Y493-H530 VanDerWaalsContact CE2-CE1 3.43Å; Y493-H530 WeakPolarHBondContact CE2-CE1 3.36Å; Y493-H530 AromaticContact CE2-ND1 3.6Å; Y493-H530 AromaticContact CZ-CE1 3.21Å; Y493-H530 AromaticContact CZ-ND1 3.87Å; Y493-H530 PolarHBondContact OH-CE1 3.01Å; S526-H530 WeakPolarHBondContact O-CB 3.44Å; S526-H530 PolarHBondContact O-N 2.63Å; S527-H530 PolarHBondContact O-N 3.21Å; H530-V533 PolarHBondContact O-N 3.37Å; H530-K534 VanDerWaalsContact O-CB 3.26Å; H530-K534 WeakPolarHBondContact O-CB 3.45Å; H530-K534 PolarHBondContact O-N 3.08Å
531	E	90.3	Very high	82.5	Confident	58 Å²	58	45.3 Å²	45.3	27%	0.271	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-40.6	177.9	-69.8	-175.7	170	0	0	112.9	S527 R528 I529 K534 A535 K679 L722	S527-E531 WeakPolarHBondContact O-CG 3.49Å; S527-E531 PolarHBondContact O-N 3.34Å; R528-E531 PolarHBondContact O-N 3.24Å; I529-E531 VanDerWaalsContact C-N 3.35Å; I529-E531 PolarHBondContact O-N 2.59Å; E531-K534 PolarHBondContact O-N 3.33Å; E531-A535 WeakPolarHBondContact O-CB 3.36Å; E531-A535 PolarHBondContact O-N 2.83Å; E531-K679 IonicContact OE1-NZ 3.74Å; E531-K679 PolarHBondContact OE1-NZ 3.45Å; E531-K679 VanDerWaalsContact OE1-NZ 3.16Å; E531-K679 IonicContact OE2-NZ 3.16Å; E531-K679 PolarHBondContact OE2-NZ 2.73Å; E531-L722 HydrophobicContact CB-CD2 4.42Å
532	A	92	Very high	84.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-47	177.1	0	0	0	0	0	111.9	L472 R528 I529 A535 V536 C723	L472-A532 HydrophobicContact CD2-CB 3.73Å; R528-A532 VanDerWaalsContact O-CB 3.31Å; R528-A532 WeakPolarHBondContact O-CB 3.42Å; R528-A532 PolarHBondContact O-N 3.35Å; I529-A532 PolarHBondContact O-N 3.37Å; A532-A535 PolarHBondContact O-N 2.77Å; A532-V536 WeakPolarHBondContact O-CG2 3.47Å; A532-V536 PolarHBondContact O-N 2.91Å; A532-C723 HydrophobicContact CB-CB 3.95Å
533	V	92.4	Very high	86.6	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-41.2	178.1	-174.9	0	0	0	0	110.4	I485 I489 I529 H530 A535 V536 A537 W584 T585 V588 L590	I485-V533 HydrophobicContact CG2-CG2 3.98Å; I489-V533 HydrophobicContact CD1-CB 3.84Å; I489-V533 HydrophobicContact CD1-CG1 4.19Å; I489-V533 HydrophobicContact CD1-CG2 3.89Å; I489-V533 HydrophobicContact CG1-CG2 4.32Å; I529-V533 HydrophobicContact CG2-CG2 4.18Å; I529-V533 VanDerWaalsContact O-CG2 3.28Å; I529-V533 WeakPolarHBondContact O-CG2 3.23Å; I529-V533 PolarHBondContact O-N 3.21Å; H530-V533 PolarHBondContact O-N 3.37Å; V533-A535 PolarHBondContact O-N 2.92Å; V533-V536 PolarHBondContact O-N 2.88Å; V533-A537 WeakPolarHBondContact O-CB 3.48Å; V533-A537 PolarHBondContact O-N 2.93Å; V533-W584 HydrophobicContact CG1-CH2 4.48Å; V533-W584 HydrophobicContact CG1-CZ3 4.37Å; V533-W584 HydrophobicContact CG2-CH2 3.82Å; V533-W584 HydrophobicContact CG2-CZ3 4.41Å; V533-T585 HydrophobicContact CG1-CG2 4.14Å; V533-V588 HydrophobicContact CG1-CG1 4.34Å; V533-L590 HydrophobicContact CG1-CD1 3.87Å
534	K	92.5	Very high	88.3	Confident	26 Å²	26	25.3 Å²	25.3	11%	0.113	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-44.1	175.2	-171.5	179.2	-174.1	179.2	0	111.2	H530 E531 A537 L538 E633	H530-K534 VanDerWaalsContact O-CB 3.26Å; H530-K534 WeakPolarHBondContact O-CB 3.45Å; H530-K534 PolarHBondContact O-N 3.08Å; E531-K534 PolarHBondContact O-N 3.33Å; K534-A537 PolarHBondContact O-N 3.17Å; K534-L538 HydrophobicContact CG-CD1 3.8Å; K534-L538 VanDerWaalsContact O-CG 3.26Å; K534-L538 WeakPolarHBondContact O-CG 3.48Å; K534-L538 PolarHBondContact O-N 3.48Å; K534-L538 VanDerWaalsContact O-N 3.12Å; K534-E633 IonicContact NZ-OE1 2.69Å; K534-E633 PolarHBondContact NZ-OE1 3.33Å; K534-E633 IonicContact NZ-OE2 3.52Å; K534-E633 PolarHBondContact NZ-OE2 2.91Å
535	A	93.8	Very high	88.7	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-44.3	177.4	0	0	0	0	0	112.5	E531 A532 V533 A537 L538 C539 Y642 V677 L722	E531-A535 WeakPolarHBondContact O-CB 3.36Å; E531-A535 PolarHBondContact O-N 2.83Å; A532-A535 PolarHBondContact O-N 2.77Å; V533-A535 PolarHBondContact O-N 2.92Å; A535-A537 VanDerWaalsContact C-N 3.33Å; A535-A537 PolarHBondContact O-N 3.21Å; A535-L538 PolarHBondContact O-N 3.22Å; A535-C539 WeakPolarHBondContact O-CB 3.37Å; A535-C539 PolarHBondContact O-N 3.45Å; A535-Y642 HydrophobicContact CB-CD1 3.49Å; A535-Y642 VanDerWaalsContact CB-CD1 3.49Å; A535-Y642 HydrophobicContact CB-CE1 3.48Å; A535-Y642 VanDerWaalsContact CB-CE1 3.48Å; A535-Y642 HydrophobicContact CB-CG 4.47Å; A535-V677 HydrophobicContact CB-CG1 3.87Å; A535-L722 HydrophobicContact CB-CD1 3.47Å; A535-L722 VanDerWaalsContact CB-CD1 3.47Å
536	V	93.8	Very high	88.7	Confident	6 Å²	6	25.3 Å²	25.3	4%	0.036	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-38.8	176.8	175.5	0	0	0	0	111.4	A532 V533 L538 L581 W584 T585 V677 T725	A532-V536 WeakPolarHBondContact O-CG2 3.47Å; A532-V536 PolarHBondContact O-N 2.91Å; V533-V536 PolarHBondContact O-N 2.88Å; V536-L538 VanDerWaalsContact C-N 3.28Å; V536-L538 PolarHBondContact O-N 2.89Å; V536-L581 HydrophobicContact CG1-CB 3.78Å; V536-L581 HydrophobicContact CG1-CD2 3.81Å; V536-L581 HydrophobicContact CG1-CG 4.26Å; V536-W584 HydrophobicContact CB-CZ3 4.38Å; V536-W584 HydrophobicContact CG1-CE3 4.29Å; V536-W584 HydrophobicContact CG1-CZ3 4.15Å; V536-T585 HydrophobicContact CB-CG2 4.14Å; V536-T585 HydrophobicContact CG1-CG2 3.74Å; V536-V677 HydrophobicContact CG2-CG2 4.27Å; V536-T725 HydrophobicContact CG2-CG2 4.34Å
537	A	93.5	Very high	87.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-72.5	-15.4	178.5	0	0	0	0	0	114.2	V533 K534 A535 H540 T585 L602	V533-A537 WeakPolarHBondContact O-CB 3.48Å; V533-A537 PolarHBondContact O-N 2.93Å; K534-A537 PolarHBondContact O-N 3.17Å; A535-A537 VanDerWaalsContact C-N 3.33Å; A535-A537 PolarHBondContact O-N 3.21Å; A537-H540 PolarHBondContact O-CD2 3.38Å; A537-H540 VanDerWaalsContact O-CD2 3.28Å; A537-H540 PolarHBondContact O-NE2 3.07Å; A537-T585 HydrophobicContact CB-CG2 3.94Å; A537-L602 HydrophobicContact CB-CD1 3.87Å; A537-L602 HydrophobicContact CB-CD2 4.45Å
538	L	93.6	Very high	86.3	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-107.2	-37.9	-179.1	-67.5	172.2	0	0	0	112.6	K534 A535 V536 H540 L600 L602 F612 V631 Y642	K534-L538 HydrophobicContact CG-CD1 3.8Å; K534-L538 VanDerWaalsContact O-CG 3.26Å; K534-L538 WeakPolarHBondContact O-CG 3.48Å; K534-L538 PolarHBondContact O-N 3.48Å; K534-L538 VanDerWaalsContact O-N 3.12Å; A535-L538 PolarHBondContact O-N 3.22Å; V536-L538 VanDerWaalsContact C-N 3.28Å; V536-L538 PolarHBondContact O-N 2.89Å; L538-H540 PolarHBondContact O-N 2.73Å; L538-L600 HydrophobicContact CD2-CD1 4.13Å; L538-L600 HydrophobicContact CD2-CD2 3.6Å; L538-L600 HydrophobicContact CD2-CG 4.48Å; L538-L602 HydrophobicContact CD2-CD1 3.71Å; L538-L602 HydrophobicContact CD2-CG 4.34Å; L538-L602 HydrophobicContact CG-CD1 4.15Å; L538-F612 HydrophobicContact CD1-CD1 4.31Å; L538-F612 HydrophobicContact CD1-CE1 4Å; L538-F612 HydrophobicContact CD1-CZ 4.23Å; L538-F612 HydrophobicContact CD2-CD1 4.14Å; L538-F612 HydrophobicContact CD2-CD2 3.67Å; L538-F612 HydrophobicContact CD2-CE1 4.28Å; L538-F612 HydrophobicContact CD2-CE2 3.81Å; L538-F612 HydrophobicContact CD2-CG 3.85Å; L538-F612 HydrophobicContact CD2-CZ 4.13Å; L538-V631 HydrophobicContact CD1-CG2 4.37Å; L538-Y642 HydrophobicContact CB-CD2 4.34Å; L538-Y642 HydrophobicContact CB-CE2 4.4Å; L538-Y642 HydrophobicContact CD1-CD2 4.43Å; L538-Y642 HydrophobicContact CD1-CE2 3.7Å
539	C	93.3	Very high	84.3	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.014	17%	0.173	C	C	.	.	S	Bend	trans	-84.2	73.5	-175.3	-165.2	0	0	0	0	111.6	A535 I629 K644	A535-C539 WeakPolarHBondContact O-CB 3.37Å; A535-C539 PolarHBondContact O-N 3.45Å; C539-I629 HydrophobicContact CB-CG2 4.13Å; C539-K644 VanDerWaalsContact O-CD 3.27Å; C539-K644 WeakPolarHBondContact O-CD 3.19Å; C539-K644 WeakPolarHBondContact O-CE 3.48Å; C539-K644 PolarHBondContact O-NZ 2.79Å
540	H	91.9	Very high	81.8	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.214	C	C	.	.	S	Bend	trans	-156.1	175.9	175.6	64.8	74	0	0	0	111.5	A537 L538 V542 E578 V582 L592 R595 M627	A537-H540 PolarHBondContact O-CD2 3.38Å; A537-H540 VanDerWaalsContact O-CD2 3.28Å; A537-H540 PolarHBondContact O-NE2 3.07Å; L538-H540 PolarHBondContact O-N 2.73Å; H540-V542 HydrophobicContact CB-CG2 4.01Å; H540-V542 PolarHBondContact CE1-O 2.91Å; H540-V542 VanDerWaalsContact CE1-O 3.28Å; H540-V542 WeakPolarHBondContact ND1-CB 3.45Å; H540-V542 PolarHBondContact ND1-N 3.43Å; H540-V542 PolarHBondContact ND1-O 3.36Å; H540-E578 HydrophobicContact CB-CB 4.44Å; H540-V582 HydrophobicContact CB-CG2 4.3Å; H540-V582 WeakPolarHBondContact CD2-CG2 3.41Å; H540-L592 VanDerWaalsContact CE1-CD2 3.44Å; H540-L592 WeakPolarHBondContact CE1-CD2 3.24Å; H540-R595 PolarHBondContact O-NH1 3Å; H540-R595 PolarHBondContact O-NH2 3Å; H540-M627 WeakPolarHBondContact O-CE 3.38Å
541	N	87.8	Confident	79.2	Confident	43 Å²	43	40.4 Å²	40.4	23%	0.23	24%	0.24	C	C	.	.			trans	-115.8	11.1	169.1	-74.4	-24.1	0	0	0	113.1	T543 E578 R595	N541-T543 PolarHBondContact O-N 3.24Å; N541-E578 PolarHBondContact N-OE2 3.48Å; N541-R595 PolarHBondContact OD1-NH2 2.86Å; N541-R595 VanDerWaalsContact OD1-NH2 3.1Å
542	V	88.5	Confident	76.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.269	C	S	.	.			trans	-58.8	128.9	174.9	-171	0	0	0	0	112.5	H540 Y571 Q572 A573 E578 V582 L592 R595	H540-V542 HydrophobicContact CB-CG2 4.01Å; H540-V542 PolarHBondContact CE1-O 2.91Å; H540-V542 VanDerWaalsContact CE1-O 3.28Å; H540-V542 WeakPolarHBondContact ND1-CB 3.45Å; H540-V542 PolarHBondContact ND1-N 3.43Å; H540-V542 PolarHBondContact ND1-O 3.36Å; V542-Y571 HydrophobicContact CG1-CD1 3.91Å; V542-Y571 HydrophobicContact CG1-CG 4.03Å; V542-Q572 CarbonylContact C-O 3.07Å; V542-Q572 VanDerWaalsContact CA-O 3.25Å; V542-Q572 WeakPolarHBondContact CA-O 3.42Å; V542-Q572 WeakPolarHBondContact CG1-O 3.41Å; V542-A573 HydrophobicContact CB-CB 4.17Å; V542-A573 HydrophobicContact CG1-CB 4.43Å; V542-A573 HydrophobicContact CG2-CB 3.75Å; V542-E578 HydrophobicContact CG2-CB 3.66Å; V542-V582 HydrophobicContact CB-CG2 4Å; V542-V582 HydrophobicContact CG1-CB 4.42Å; V542-V582 HydrophobicContact CG1-CG1 4.38Å; V542-V582 HydrophobicContact CG1-CG2 4.44Å; V542-V582 HydrophobicContact CG2-CB 4.17Å; V542-V582 HydrophobicContact CG2-CG2 3.54Å; V542-L592 HydrophobicContact CB-CD2 4.38Å; V542-L592 HydrophobicContact CG1-CD2 4.37Å; V542-L592 WeakPolarHBondContact O-CD2 3.28Å; V542-R595 WeakPolarHBondContact O-CD 3.33Å
543	T	85.6	Confident	73.9	Confident	45 Å²	45	46 Å²	46	28%	0.276	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.7	171.9	-58.7	0	0	0	0	109.8	N541 Q572	N541-T543 PolarHBondContact O-N 3.24Å; T543-Q572 PolarHBondContact N-O 3.45Å; T543-Q572 PolarHBondContact O-N 2.77Å
544	P	85.9	Confident	70.9	Confident	10 Å²	10	55.3 Å²	55.3	7%	0.065	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.5	171.5	30.1	-29.7	0	0	0	110.1	Y546 R569 Y571 L592 V593	P544-Y546 HydrophobicContact CB-CE2 4.31Å; P544-R569 HydrophobicContact CB-CG 4.12Å; P544-Y571 HydrophobicContact CB-CD1 4.17Å; P544-Y571 HydrophobicContact CB-CE1 4.03Å; P544-L592 HydrophobicContact CG-CD2 4.37Å; P544-L592 HydrophobicContact CG-CG 4.26Å; P544-V593 WeakPolarHBondContact CG-O 3.27Å
545	V	78.2	Confident	68	Low	31 Å²	31	60 Å²	60	19%	0.188	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128	174.9	176.3	0	0	0	0	109.8	T570 Q572	V545-T570 PolarHBondContact N-O 2.92Å; V545-T570 PolarHBondContact O-N 3.36Å; V545-T570 PolarHBondContact O-OG1 3.45Å; V545-Q572 HydrophobicContact CB-CG 4.39Å; V545-Q572 VanDerWaalsContact CB-NE2 3.34Å; V545-Q572 HydrophobicContact CG2-CG 4.1Å
546	Y	78.1	Confident	65.5	Low	59 Å²	59	69.6 Å²	69.6	23%	0.231	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.5	179	-62.1	-85	0	0	0	108.9	P544 F564 R569 V593	P544-Y546 HydrophobicContact CB-CE2 4.31Å; Y546-F564 HydrophobicContact CE1-CD1 4.32Å; Y546-F564 HydrophobicContact CE2-CD1 4.32Å; Y546-F564 HydrophobicContact CE2-CE1 4.35Å; Y546-F564 AromaticContact CZ-CD1 3.84Å; Y546-R569 HydrophobicContact CD1-CB 4.29Å; Y546-R569 HydrophobicContact CE1-CB 3.98Å; Y546-R569 HydrophobicContact CE1-CG 4.18Å; Y546-V593 PolarHBondContact OH-O 3.2Å
547	E	64	Low	62.4	Low	101 Å²	101	74.1 Å²	74.1	47%	0.472	45%	0.454	S	S	.	.			trans	-81.4	128.5	171.6	-71.1	-165.9	156.8	0	0	109.8	N568	E547-N568 PolarHBondContact N-O 2.84Å; E547-N568 PolarHBondContact O-ND2 3.35Å
548	S	52.2	Low	59.5	Low	118 Å²	118	78.6 Å²	78.6	83%	0.825	49%	0.49	S	S	*	.			trans	-88	115.9	168.4	45.1	0	0	0	0	108.6	A550	S548-A550 PolarHBondContact O-N 3.16Å; S548-A550 VanDerWaalsContact O-N 3.14Å
549	H	43.4	Very low	56.8	Low	157 Å²	157	88.3 Å²	88.3	73%	0.727	54%	0.536	S	S	*	.			trans	-65.7	116.5	165.9	-92.6	-70.4	0	0	0	108.2	A551 N568	H549-A551 PolarHBondContact O-N 2.89Å; H549-N568 PolarHBondContact CD2-ND2 3.06Å
550	A	37.6	Very low	54	Low	102 Å²	102	92 Å²	92	84%	0.843	57%	0.567	S	S	*	*			trans	-64.9	84.4	162.7	0	0	0	0	0	108.7	S548 A552	S548-A550 PolarHBondContact O-N 3.16Å; S548-A550 VanDerWaalsContact O-N 3.14Å; A550-A552 PolarHBondContact O-N 2.75Å
551	A	34.7	Very low	51.3	Low	89 Å²	89	99.3 Å²	99.3	74%	0.736	61%	0.606	S	S	*	*			trans	-64.8	124.7	154.7	0	0	0	0	0	106.8	H549 G553	H549-A551 PolarHBondContact O-N 2.89Å; A551-G553 PolarHBondContact O-N 3.07Å; A551-G553 VanDerWaalsContact O-N 3.15Å
552	A	34.3	Very low	49.2	Very low	106 Å²	106	104 Å²	104	88%	0.876	63%	0.626	S	S	*	*	S	Bend	trans	-59.3	117.4	-177.5	0	0	0	0	0	110.7	A550	A550-A552 PolarHBondContact O-N 2.75Å
553	G	36	Very low	46.9	Very low	68 Å²	68	111.1 Å²	111.1	70%	0.701	66%	0.664	S	S	*	*			trans	74.8	93.7	160.5	0	0	0	0	0	115.3	A551	A551-G553 PolarHBondContact O-N 3.07Å; A551-G553 VanDerWaalsContact O-N 3.15Å
554	E	30.6	Very low	45.1	Very low	197 Å²	197	113.3 Å²	113.3	92%	0.921	67%	0.67	S	S	*	*			trans	-167	154.8	131.6	-103.4	165.3	-156.1	0	0	110
555	T	32	Very low	43.5	Very low	124 Å²	124	116.3 Å²	116.3	76%	0.761	69%	0.692	S	S	*	*			trans	-60.7	143	-154	30.2	0	0	0	0	118.1	S557	T555-S557 PolarHBondContact O-N 3.4Å; T555-S557 VanDerWaalsContact O-N 3.13Å; T555-S557 PolarHBondContact O-OG 2.96Å
556	E	40	Very low	42.4	Very low	201 Å²	201	119 Å²	119	94%	0.939	71%	0.705	S	S	*	*			trans	-42.9	109.9	165.7	-68.8	177.7	160.2	0	0	112.1
557	S	29.1	Very low	41.3	Very low	102 Å²	102	124 Å²	124	71%	0.713	74%	0.736	S	S	*	*			trans	-142.2	112.4	167.7	-49	0	0	0	0	109.2	T555	T555-S557 PolarHBondContact O-N 3.4Å; T555-S557 VanDerWaalsContact O-N 3.13Å; T555-S557 PolarHBondContact O-OG 2.96Å
558	A	32.8	Very low	41.3	Very low	93 Å²	93	121.4 Å²	121.4	77%	0.769	73%	0.725	S	S	*	*			trans	41.5	112	159.5	0	0	0	0	0	119.9	A560	A558-A560 PolarHBondContact O-N 2.92Å
559	E	37	Very low	42.6	Very low	205 Å²	205	117.2 Å²	117.2	96%	0.958	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	41.3	171.6	-56.8	178.7	152.1	0	0	115
560	A	34.3	Very low	44.4	Very low	81 Å²	81	112.1 Å²	112.1	67%	0.669	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-18.4	-171.6	0	0	0	0	0	116.2	A558	A558-A560 PolarHBondContact O-N 2.92Å
561	D	35.1	Very low	46.7	Very low	154 Å²	154	107.9 Å²	107.9	82%	0.824	63%	0.633	S	S	*	*			trans	-127.8	92.5	177.3	-81.1	-34	0	0	0	109.8	D563	D561-D563 PolarHBondContact O-N 3.38Å
562	Q	44	Very low	48.7	Very low	141 Å²	141	104.9 Å²	104.9	66%	0.659	60%	0.604	S	S	*	*			trans	-78.9	104.7	167.1	-74.1	-177.1	11.9	0	0	108.6	F564	Q562-F564 WeakPolarHBondContact O-CD2 3.35Å; Q562-F564 PolarHBondContact O-N 3.16Å
563	D	39.3	Very low	50.9	Low	149 Å²	149	100.2 Å²	100.2	80%	0.797	57%	0.566	S	S	*	*			trans	-64.1	106	169.9	-86.3	-28.2	0	0	0	110	D561 S565	D561-D563 PolarHBondContact O-N 3.38Å; D563-S565 PolarHBondContact O-N 2.83Å
564	F	48.4	Very low	52.6	Low	91 Å²	91	99.3 Å²	99.3	40%	0.399	55%	0.549	S	S	.	.			trans	-71.5	52.9	176.9	-67.3	-81.3	0	0	0	113.2	Y546 Q562 V593	Y546-F564 HydrophobicContact CE1-CD1 4.32Å; Y546-F564 HydrophobicContact CE2-CD1 4.32Å; Y546-F564 HydrophobicContact CE2-CE1 4.35Å; Y546-F564 AromaticContact CZ-CD1 3.84Å; Q562-F564 WeakPolarHBondContact O-CD2 3.35Å; Q562-F564 PolarHBondContact O-N 3.16Å; F564-V593 HydrophobicContact CD1-CG1 3.59Å; F564-V593 HydrophobicContact CE1-CG1 3.62Å; F564-V593 HydrophobicContact CG-CG1 4.31Å; F564-V593 HydrophobicContact CZ-CG1 4.37Å
565	S	51.5	Low	54.8	Low	74 Å²	74	91.4 Å²	91.4	52%	0.517	52%	0.515	S	S	.	.			trans	-65.9	133.1	172.5	61.1	0	0	0	0	110.9	D563 D567	D563-S565 PolarHBondContact O-N 2.83Å; S565-D567 VanDerWaalsContact C-N 3.29Å; S565-D567 PolarHBondContact O-N 3.26Å
566	D	55.8	Low	57.1	Low	88 Å²	88	86.9 Å²	86.9	47%	0.471	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-72.5	-17.4	-173	-87.6	-35.3	0	0	0	113.9	N568 R569 R603	D566-N568 VanDerWaalsContact C-N 3.29Å; D566-N568 PolarHBondContact O-N 2.82Å; D566-R569 IonicContact OD1-CZ 2.99Å; D566-R569 IonicContact OD1-NH1 2.83Å; D566-R569 PolarHBondContact OD1-NH1 2.98Å; D566-R569 IonicContact OD1-NH2 2.72Å; D566-R569 PolarHBondContact OD1-NH2 3.44Å; D566-R603 IonicContact OD1-CZ 3.82Å; D566-R603 IonicContact OD1-NH1 2.91Å; D566-R603 PolarHBondContact OD1-NH1 3.14Å; D566-R603 IonicContact OD2-NH1 3.92Å; D566-R603 PolarHBondContact OD2-NH1 2.89Å
567	D	55.6	Low	59.3	Low	163 Å²	163	78.3 Å²	78.3	87%	0.872	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-75.6	-6.9	-172.4	-100.8	-5.3	0	0	0	115	S565	S565-D567 VanDerWaalsContact C-N 3.29Å; S565-D567 PolarHBondContact O-N 3.26Å
568	N	63.8	Low	62.1	Low	46 Å²	46	74.1 Å²	74.1	25%	0.246	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-129.7	21.5	-174.4	-115.7	12.6	0	0	0	115.3	E547 H549 D566	E547-N568 PolarHBondContact N-O 2.84Å; E547-N568 PolarHBondContact O-ND2 3.35Å; H549-N568 PolarHBondContact CD2-ND2 3.06Å; D566-N568 VanDerWaalsContact C-N 3.29Å; D566-N568 PolarHBondContact O-N 2.82Å
569	R	78.9	Confident	64.8	Low	30 Å²	30	70.7 Å²	70.7	11%	0.113	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.3	178.6	-178.3	173.8	56.8	-118.5	-17.4	111.6	P544 Y546 D566 Y571 E586 L592	P544-R569 HydrophobicContact CB-CG 4.12Å; Y546-R569 HydrophobicContact CD1-CB 4.29Å; Y546-R569 HydrophobicContact CE1-CB 3.98Å; Y546-R569 HydrophobicContact CE1-CG 4.18Å; D566-R569 IonicContact OD1-CZ 2.99Å; D566-R569 IonicContact OD1-NH1 2.83Å; D566-R569 PolarHBondContact OD1-NH1 2.98Å; D566-R569 IonicContact OD1-NH2 2.72Å; D566-R569 PolarHBondContact OD1-NH2 3.44Å; R569-Y571 HydrophobicContact CG-CE1 4.25Å; R569-Y571 PolarHBondContact NE-OH 3.27Å; R569-Y571 VanDerWaalsContact NE-OH 3.1Å; R569-E586 IonicContact CZ-OE1 3.9Å; R569-E586 IonicContact NE-OE1 3.68Å; R569-E586 PolarHBondContact NE-OE1 2.97Å; R569-E586 IonicContact NH2-OE1 3.77Å; R569-E586 PolarHBondContact NH2-OE1 3.46Å; R569-L592 WeakPolarHBondContact CD-O 3.22Å
570	T	81.8	Confident	67.4	Low	50 Å²	50	61.2 Å²	61.2	31%	0.307	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.6	170.7	60.6	0	0	0	0	110.8	V545	V545-T570 PolarHBondContact N-O 2.92Å; V545-T570 PolarHBondContact O-N 3.36Å; V545-T570 PolarHBondContact O-OG1 3.45Å
571	Y	85.6	Confident	70.2	Confident	13 Å²	13	57.6 Å²	57.6	5%	0.051	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.2	176.8	-69.1	-51.6	0	0	0	111.6	V542 P544 R569 V582 R583 E586 L592	V542-Y571 HydrophobicContact CG1-CD1 3.91Å; V542-Y571 HydrophobicContact CG1-CG 4.03Å; P544-Y571 HydrophobicContact CB-CD1 4.17Å; P544-Y571 HydrophobicContact CB-CE1 4.03Å; R569-Y571 HydrophobicContact CG-CE1 4.25Å; R569-Y571 PolarHBondContact NE-OH 3.27Å; R569-Y571 VanDerWaalsContact NE-OH 3.1Å; Y571-V582 HydrophobicContact CD1-CG1 4.01Å; Y571-V582 HydrophobicContact CD2-CG1 4.07Å; Y571-V582 HydrophobicContact CE1-CG1 3.9Å; Y571-V582 HydrophobicContact CE2-CG1 3.91Å; Y571-V582 HydrophobicContact CG-CG1 4.11Å; Y571-R583 HydrophobicContact CD2-CG 3.73Å; Y571-R583 HydrophobicContact CE2-CG 4.37Å; Y571-E586 HydrophobicContact CE2-CB 4.22Å; Y571-E586 VanDerWaalsContact CE2-OE2 3.27Å; Y571-E586 WeakPolarHBondContact CE2-OE2 3.24Å; Y571-L592 HydrophobicContact CD1-CD2 4.26Å; Y571-L592 HydrophobicContact CE1-CB 3.8Å; Y571-L592 HydrophobicContact CE1-CD2 4.05Å; Y571-L592 HydrophobicContact CE1-CG 4.3Å; Y571-L592 PolarHBondContact OH-N 3.44Å; Y571-L592 PolarHBondContact OH-O 2.81Å
572	Q	77.6	Confident	72.9	Confident	26 Å²	26	50.3 Å²	50.3	12%	0.121	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.3	-176.4	-61	178.5	2.2	0	0	109.9	W262 V542 T543 V545	W262-Q572 HydrophobicContact CE3-CB 4.14Å; W262-Q572 HydrophobicContact CH2-CB 4.01Å; W262-Q572 HydrophobicContact CH2-CG 3.55Å; W262-Q572 HydrophobicContact CZ2-CB 4.37Å; W262-Q572 HydrophobicContact CZ2-CG 3.97Å; W262-Q572 HydrophobicContact CZ3-CB 3.89Å; W262-Q572 HydrophobicContact CZ3-CG 3.89Å; V542-Q572 CarbonylContact C-O 3.07Å; V542-Q572 VanDerWaalsContact CA-O 3.25Å; V542-Q572 WeakPolarHBondContact CA-O 3.42Å; V542-Q572 WeakPolarHBondContact CG1-O 3.41Å; T543-Q572 PolarHBondContact N-O 3.45Å; T543-Q572 PolarHBondContact O-N 2.77Å; V545-Q572 HydrophobicContact CB-CG 4.39Å; V545-Q572 VanDerWaalsContact CB-NE2 3.34Å; V545-Q572 HydrophobicContact CG2-CG 4.1Å
573	A	80.4	Confident	75.2	Confident	9 Å²	9	50.4 Å²	50.4	7%	0.074	27%	0.269	C	S	.	.			trans	-156.3	166.6	-179.5	0	0	0	0	0	111.9	W262 V542 S575 E578 V579	W262-A573 WeakPolarHBondContact CB-O 3.28Å; V542-A573 HydrophobicContact CB-CB 4.17Å; V542-A573 HydrophobicContact CG1-CB 4.43Å; V542-A573 HydrophobicContact CG2-CB 3.75Å; A573-S575 PolarHBondContact O-N 3.2Å; A573-E578 HydrophobicContact CB-CB 4.4Å; A573-V579 HydrophobicContact CB-CG2 3.63Å
574	S	70.6	Confident	77.7	Confident	49 Å²	49	44 Å²	44	34%	0.343	23%	0.233	S	C	.	.	S	Bend	trans	-71.1	-9.7	172	60.6	0	0	0	0	113.5	D261 W262	D261-S574 WeakPolarHBondContact CB-O 3.46Å; W262-S574 WeakPolarHBondContact O-CA 3.48Å
575	S	77.8	Confident	79.7	Confident	31 Å²	31	39.8 Å²	39.8	22%	0.217	22%	0.215	C	C	.	.			trans	-143.2	132.2	175.6	173.2	0	0	0	0	110.8	A573 D577 E578 V579	A573-S575 PolarHBondContact O-N 3.2Å; S575-D577 PolarHBondContact O-N 3.26Å; S575-D577 PolarHBondContact OG-N 3.42Å; S575-E578 PolarHBondContact O-N 3.19Å; S575-V579 PolarHBondContact O-N 3.07Å
576	P	80.3	Confident	81.6	Confident	28 Å²	28	39.1 Å²	39.1	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-24.1	180	29.4	-36.8	0	0	0	112.4	D261 M465 E578 V579 A580	D261-P576 WeakPolarHBondContact OD1-CD 3.41Å; M465-P576 HydrophobicContact CB-CB 4.43Å; M465-P576 HydrophobicContact CE-CG 3.97Å; M465-P576 HydrophobicContact CG-CB 3.67Å; M465-P576 HydrophobicContact CG-CG 3.86Å; P576-E578 VanDerWaalsContact C-N 3.26Å; P576-E578 PolarHBondContact O-N 3.1Å; P576-V579 PolarHBondContact O-N 3.05Å; P576-A580 PolarHBondContact O-N 3.08Å
577	D	85.3	Confident	83.1	Confident	22 Å²	22	38.4 Å²	38.4	12%	0.118	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-38	175.3	-62	11	0	0	0	110	M465 S575 A580 L581 R673	M465-D577 WeakPolarHBondContact CG-OD1 3.37Å; S575-D577 PolarHBondContact O-N 3.26Å; S575-D577 PolarHBondContact OG-N 3.42Å; D577-A580 PolarHBondContact O-N 3.25Å; D577-L581 WeakPolarHBondContact O-CG 3.35Å; D577-L581 PolarHBondContact O-N 3.01Å; D577-L581 VanDerWaalsContact O-N 3.14Å; D577-R673 IonicContact OD1-NH1 3.12Å; D577-R673 PolarHBondContact OD1-NH1 2.76Å; D577-R673 VanDerWaalsContact OD1-NH1 3.09Å; D577-R673 IonicContact OD2-NH1 3.69Å; D577-R673 PolarHBondContact OD2-NH1 3.09Å
578	E	88.9	Confident	84.7	Confident	14 Å²	14	30.8 Å²	30.8	7%	0.065	17%	0.165	C	C	.	.	H	α-helix	trans	-69.9	-39.2	174.9	-55.3	-161.6	146.3	0	0	112.6	H540 N541 V542 A573 S575 P576 A580 L581 V582 K644	H540-E578 HydrophobicContact CB-CB 4.44Å; N541-E578 PolarHBondContact N-OE2 3.48Å; V542-E578 HydrophobicContact CG2-CB 3.66Å; A573-E578 HydrophobicContact CB-CB 4.4Å; S575-E578 PolarHBondContact O-N 3.19Å; P576-E578 VanDerWaalsContact C-N 3.26Å; P576-E578 PolarHBondContact O-N 3.1Å; E578-A580 VanDerWaalsContact C-N 3.28Å; E578-A580 PolarHBondContact O-N 2.76Å; E578-L581 WeakPolarHBondContact O-CB 3.46Å; E578-L581 PolarHBondContact O-N 3.42Å; E578-V582 WeakPolarHBondContact O-CG2 3.36Å; E578-V582 PolarHBondContact O-N 3.26Å; E578-K644 VanDerWaalsContact CG-NZ 3.33Å; E578-K644 WeakPolarHBondContact OE1-CE 3.28Å; E578-K644 IonicContact OE1-NZ 3.64Å; E578-K644 PolarHBondContact OE1-NZ 2.87Å
579	V	89.2	Confident	85.7	Confident	20 Å²	20	29.2 Å²	29.2	12%	0.121	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-41.2	176.3	177.9	0	0	0	0	110.2	A573 S575 P576 L581 V582 R583	A573-V579 HydrophobicContact CB-CG2 3.63Å; S575-V579 PolarHBondContact O-N 3.07Å; P576-V579 PolarHBondContact O-N 3.05Å; V579-L581 VanDerWaalsContact C-N 3.35Å; V579-V582 PolarHBondContact O-N 3.14Å; V579-R583 HydrophobicContact CG1-CG 4.3Å; V579-R583 WeakPolarHBondContact O-CB 3.49Å; V579-R583 VanDerWaalsContact O-CG 3.31Å; V579-R583 WeakPolarHBondContact O-CG 3.39Å; V579-R583 PolarHBondContact O-N 3.07Å
580	A	90.9	Very high	86.2	Confident	7 Å²	7	27.8 Å²	27.8	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-42.1	175.9	0	0	0	0	0	112.1	M465 P576 D577 E578 W584 V727	M465-A580 HydrophobicContact CB-CB 3.75Å; M465-A580 VanDerWaalsContact O-CB 3.26Å; M465-A580 WeakPolarHBondContact O-CB 3.38Å; P576-A580 PolarHBondContact O-N 3.08Å; D577-A580 PolarHBondContact O-N 3.25Å; E578-A580 VanDerWaalsContact C-N 3.28Å; E578-A580 PolarHBondContact O-N 2.76Å; A580-W584 WeakPolarHBondContact O-CB 3.13Å; A580-W584 PolarHBondContact O-N 3.15Å; A580-V727 HydrophobicContact CB-CG1 4.26Å
581	L	92.6	Very high	86.7	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-47.1	175.8	-72.3	167.9	0	0	0	111.7	F467 V536 D577 E578 V579 W584 T585 L675 T725 V727	F467-L581 HydrophobicContact CD2-CD2 3.59Å; F467-L581 HydrophobicContact CE2-CD2 3.65Å; V536-L581 HydrophobicContact CG1-CB 3.78Å; V536-L581 HydrophobicContact CG1-CD2 3.81Å; V536-L581 HydrophobicContact CG1-CG 4.26Å; D577-L581 WeakPolarHBondContact O-CG 3.35Å; D577-L581 PolarHBondContact O-N 3.01Å; D577-L581 VanDerWaalsContact O-N 3.14Å; E578-L581 WeakPolarHBondContact O-CB 3.46Å; E578-L581 PolarHBondContact O-N 3.42Å; V579-L581 VanDerWaalsContact C-N 3.35Å; L581-W584 WeakPolarHBondContact O-CB 3.35Å; L581-W584 PolarHBondContact O-N 3.2Å; L581-T585 WeakPolarHBondContact O-CG2 3.21Å; L581-T585 PolarHBondContact O-N 3.05Å; L581-L675 HydrophobicContact CD1-CD1 4.13Å; L581-T725 HydrophobicContact CD2-CG2 4.23Å; L581-V727 HydrophobicContact CD2-CG2 4.47Å
582	V	92.8	Very high	86.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71.2	-37.4	-178.8	175.2	0	0	0	0	112.5	H540 V542 Y571 E578 V579 W584 T585 E586 L592	H540-V582 HydrophobicContact CB-CG2 4.3Å; H540-V582 WeakPolarHBondContact CD2-CG2 3.41Å; V542-V582 HydrophobicContact CB-CG2 4Å; V542-V582 HydrophobicContact CG1-CB 4.42Å; V542-V582 HydrophobicContact CG1-CG1 4.38Å; V542-V582 HydrophobicContact CG1-CG2 4.44Å; V542-V582 HydrophobicContact CG2-CB 4.17Å; V542-V582 HydrophobicContact CG2-CG2 3.54Å; Y571-V582 HydrophobicContact CD1-CG1 4.01Å; Y571-V582 HydrophobicContact CD2-CG1 4.07Å; Y571-V582 HydrophobicContact CE1-CG1 3.9Å; Y571-V582 HydrophobicContact CE2-CG1 3.91Å; Y571-V582 HydrophobicContact CG-CG1 4.11Å; E578-V582 WeakPolarHBondContact O-CG2 3.36Å; E578-V582 PolarHBondContact O-N 3.26Å; V579-V582 PolarHBondContact O-N 3.14Å; V582-W584 PolarHBondContact O-N 3.24Å; V582-T585 WeakPolarHBondContact CA-OG1 3.14Å; V582-T585 PolarHBondContact O-N 3.21Å; V582-T585 PolarHBondContact O-OG1 2.97Å; V582-E586 WeakPolarHBondContact O-CB 3.45Å; V582-E586 PolarHBondContact O-N 3.29Å; V582-L592 HydrophobicContact CG1-CB 4.01Å; V582-L592 HydrophobicContact CG1-CD2 4.1Å
583	R	91.4	Very high	87.5	Confident	144 Å²	144	24.5 Å²	24.5	54%	0.543	14%	0.137	S	C	.	.	H	α-helix	trans	-60.7	-38.1	170.6	-78	-176.8	179	-173.3	0.6	111.7	Y571 V579 E586 S587	Y571-R583 HydrophobicContact CD2-CG 3.73Å; Y571-R583 HydrophobicContact CE2-CG 4.37Å; V579-R583 HydrophobicContact CG1-CG 4.3Å; V579-R583 WeakPolarHBondContact O-CB 3.49Å; V579-R583 VanDerWaalsContact O-CG 3.31Å; V579-R583 WeakPolarHBondContact O-CG 3.39Å; V579-R583 PolarHBondContact O-N 3.07Å; R583-E586 WeakPolarHBondContact O-CB 3.48Å; R583-E586 PolarHBondContact O-N 3.44Å; R583-S587 PolarHBondContact O-N 3.31Å
584	W	91.9	Very high	87.8	Confident	15 Å²	15	26.3 Å²	26.3	6%	0.057	15%	0.146	C	C	.	.	H	α-helix	trans	-67.3	-44.7	174.7	170.8	76.5	0	0	0	111.6	F467 L470 M482 I485 V533 V536 A580 L581 V582 E586 S587 V588	F467-W584 HydrophobicContact CB-CB 3.75Å; F467-W584 HydrophobicContact CB-CG 3.92Å; F467-W584 HydrophobicContact CD1-CB 4.37Å; F467-W584 AromaticContact CD1-CD1 3.44Å; F467-W584 VanDerWaalsContact CD1-CD1 3.44Å; F467-W584 AromaticContact CD1-CD2 3.78Å; F467-W584 HydrophobicContact CD1-CD2 3.78Å; F467-W584 AromaticContact CD1-CE2 3.72Å; F467-W584 AromaticContact CD1-CG 3.6Å; F467-W584 HydrophobicContact CD1-CG 3.6Å; F467-W584 HydrophobicContact CD1-CZ2 4.49Å; F467-W584 AromaticContact CD1-NE1 3.49Å; F467-W584 HydrophobicContact CD2-CB 4.48Å; F467-W584 HydrophobicContact CD2-CD2 4.23Å; F467-W584 HydrophobicContact CD2-CE3 4.4Å; F467-W584 HydrophobicContact CD2-CG 4.26Å; F467-W584 AromaticContact CE1-CD2 3.81Å; F467-W584 HydrophobicContact CE1-CD2 3.81Å; F467-W584 AromaticContact CE1-CE2 3.44Å; F467-W584 VanDerWaalsContact CE1-CE2 3.44Å; F467-W584 HydrophobicContact CE1-CE3 4.44Å; F467-W584 HydrophobicContact CE1-CG 4.14Å; F467-W584 HydrophobicContact CE1-CH2 4.39Å; F467-W584 AromaticContact CE1-CZ2 3.77Å; F467-W584 HydrophobicContact CE1-CZ2 3.77Å; F467-W584 AromaticContact CE1-NE1 3.58Å; F467-W584 HydrophobicContact CE2-CD2 4.22Å; F467-W584 HydrophobicContact CE2-CE3 4.16Å; F467-W584 HydrophobicContact CE2-CZ3 4.43Å; F467-W584 HydrophobicContact CG-CB 3.96Å; F467-W584 AromaticContact CG-CD1 3.93Å; F467-W584 AromaticContact CG-CD2 3.99Å; F467-W584 HydrophobicContact CG-CD2 3.99Å; F467-W584 AromaticContact CG-CG 3.66Å; F467-W584 HydrophobicContact CG-CG 3.66Å; F467-W584 HydrophobicContact CZ-CD2 4.02Å; F467-W584 AromaticContact CZ-CE2 3.9Å; F467-W584 HydrophobicContact CZ-CE3 4.19Å; F467-W584 HydrophobicContact CZ-CH2 4.1Å; F467-W584 AromaticContact CZ-CZ2 3.95Å; F467-W584 HydrophobicContact CZ-CZ2 3.95Å; F467-W584 HydrophobicContact CZ-CZ3 4.23Å; L470-W584 HydrophobicContact CD1-CH2 4.46Å; L470-W584 HydrophobicContact CD2-CH2 3.96Å; L470-W584 HydrophobicContact CD2-CZ2 4.17Å; M482-W584 HydrophobicContact SD-CZ2 4.39Å; I485-W584 HydrophobicContact CD1-CZ2 4.01Å; I485-W584 HydrophobicContact CG2-CZ2 4.47Å; V533-W584 HydrophobicContact CG1-CH2 4.48Å; V533-W584 HydrophobicContact CG1-CZ3 4.37Å; V533-W584 HydrophobicContact CG2-CH2 3.82Å; V533-W584 HydrophobicContact CG2-CZ3 4.41Å; V536-W584 HydrophobicContact CB-CZ3 4.38Å; V536-W584 HydrophobicContact CG1-CE3 4.29Å; V536-W584 HydrophobicContact CG1-CZ3 4.15Å; A580-W584 WeakPolarHBondContact O-CB 3.13Å; A580-W584 PolarHBondContact O-N 3.15Å; L581-W584 WeakPolarHBondContact O-CB 3.35Å; L581-W584 PolarHBondContact O-N 3.2Å; V582-W584 PolarHBondContact O-N 3.24Å; W584-E586 PolarHBondContact O-N 3.43Å; W584-S587 PolarHBondContact O-N 2.98Å; W584-S587 PolarHBondContact O-OG 2.66Å; W584-V588 HydrophobicContact CD2-CG2 4.3Å; W584-V588 HydrophobicContact CZ2-CG2 4.05Å; W584-V588 WeakPolarHBondContact O-CG2 3.31Å; W584-V588 PolarHBondContact O-N 3.43Å
585	T	92	Very high	88.5	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-37.3	176.6	59.2	0	0	0	0	111.9	V533 V536 A537 L581 V582 V588 G589 L590	V533-T585 HydrophobicContact CG1-CG2 4.14Å; V536-T585 HydrophobicContact CB-CG2 4.14Å; V536-T585 HydrophobicContact CG1-CG2 3.74Å; A537-T585 HydrophobicContact CB-CG2 3.94Å; L581-T585 WeakPolarHBondContact O-CG2 3.21Å; L581-T585 PolarHBondContact O-N 3.05Å; V582-T585 WeakPolarHBondContact CA-OG1 3.14Å; V582-T585 PolarHBondContact O-N 3.21Å; V582-T585 PolarHBondContact O-OG1 2.97Å; T585-V588 PolarHBondContact O-N 2.96Å; T585-G589 PolarHBondContact O-N 3.46Å; T585-G589 VanDerWaalsContact O-N 3.12Å; T585-L590 CarbonylContact C-O 3.55Å; T585-L590 CarbonylContact O-C 3.58Å; T585-L590 PolarHBondContact O-N 3.4Å; T585-L590 VanDerWaalsContact O-O 3.08Å; T585-L590 PolarHBondContact OG1-O 2.98Å
586	E	89.9	Confident	88.7	Confident	60 Å²	60	27.3 Å²	27.3	28%	0.28	14%	0.144	S	C	.	.	H	α-helix	trans	-59.3	-47.7	172.1	176.3	-176	-136	0	0	111.4	R569 Y571 V582 R583 W584 V588 G589 L590 T591	R569-E586 IonicContact CZ-OE1 3.9Å; R569-E586 IonicContact NE-OE1 3.68Å; R569-E586 PolarHBondContact NE-OE1 2.97Å; R569-E586 IonicContact NH2-OE1 3.77Å; R569-E586 PolarHBondContact NH2-OE1 3.46Å; Y571-E586 HydrophobicContact CE2-CB 4.22Å; Y571-E586 VanDerWaalsContact CE2-OE2 3.27Å; Y571-E586 WeakPolarHBondContact CE2-OE2 3.24Å; V582-E586 WeakPolarHBondContact O-CB 3.45Å; V582-E586 PolarHBondContact O-N 3.29Å; R583-E586 WeakPolarHBondContact O-CB 3.48Å; R583-E586 PolarHBondContact O-N 3.44Å; W584-E586 PolarHBondContact O-N 3.43Å; E586-V588 PolarHBondContact O-N 2.92Å; E586-G589 WeakPolarHBondContact O-CA 3.08Å; E586-G589 PolarHBondContact O-N 3.25Å; E586-L590 WeakPolarHBondContact CA-O 3.45Å; E586-L590 PolarHBondContact N-O 3.15Å; E586-T591 HydrophobicContact CG-CG2 4.27Å
587	S	88.3	Confident	88.7	Confident	73 Å²	73	32.8 Å²	32.8	51%	0.51	17%	0.171	S	C	.	.	H	α-helix	trans	-62	-29.3	178.2	74.1	0	0	0	0	113.7	R583 W584 G589	R583-S587 PolarHBondContact O-N 3.31Å; W584-S587 PolarHBondContact O-N 2.98Å; W584-S587 PolarHBondContact O-OG 2.66Å; S587-G589 VanDerWaalsContact C-N 3.3Å
588	V	88	Confident	88.7	Confident	4 Å²	4	36 Å²	36	2%	0.024	19%	0.191	C	C	.	.	H	α-helix	trans	-84.3	-8.5	177.3	176.4	0	0	0	0	111.6	I485 I489 V533 W584 T585 E586	I485-V588 HydrophobicContact CB-CG1 4.4Å; I485-V588 HydrophobicContact CG2-CG1 3.64Å; I485-V588 HydrophobicContact CG2-CG2 4.47Å; I489-V588 HydrophobicContact CB-CG1 4.3Å; I489-V588 HydrophobicContact CG1-CG1 3.77Å; V533-V588 HydrophobicContact CG1-CG1 4.34Å; W584-V588 HydrophobicContact CD2-CG2 4.3Å; W584-V588 HydrophobicContact CZ2-CG2 4.05Å; W584-V588 WeakPolarHBondContact O-CG2 3.31Å; W584-V588 PolarHBondContact O-N 3.43Å; T585-V588 PolarHBondContact O-N 2.96Å; E586-V588 PolarHBondContact O-N 2.92Å
589	G	85.6	Confident	88.7	Confident	13 Å²	13	36.7 Å²	36.7	13%	0.134	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.9	6.7	172.2	0	0	0	0	0	115.7	T585 E586 S587 T604 P605	T585-G589 PolarHBondContact O-N 3.46Å; T585-G589 VanDerWaalsContact O-N 3.12Å; E586-G589 WeakPolarHBondContact O-CA 3.08Å; E586-G589 PolarHBondContact O-N 3.25Å; S587-G589 VanDerWaalsContact C-N 3.3Å; G589-T604 CarbonylContact O-C 3.59Å; G589-P605 WeakPolarHBondContact O-CD 3.26Å; G589-P605 VanDerWaalsContact O-CG 3.29Å; G589-P605 WeakPolarHBondContact O-CG 3.21Å; G589-P605 VanDerWaalsContact O-N 3.11Å
590	L	89.8	Confident	88.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.			trans	-103.9	98.7	169	-77.9	-178.5	0	0	0	110.3	I489 Y493 V533 T585 E586 T604	I489-L590 HydrophobicContact CG2-CG 4.43Å; Y493-L590 HydrophobicContact CE2-CD1 4.27Å; Y493-L590 HydrophobicContact CE2-CD2 3.73Å; Y493-L590 HydrophobicContact CE2-CG 4.26Å; V533-L590 HydrophobicContact CG1-CD1 3.87Å; T585-L590 CarbonylContact C-O 3.55Å; T585-L590 CarbonylContact O-C 3.58Å; T585-L590 PolarHBondContact O-N 3.4Å; T585-L590 VanDerWaalsContact O-O 3.08Å; T585-L590 PolarHBondContact OG1-O 2.98Å; E586-L590 WeakPolarHBondContact CA-O 3.45Å; E586-L590 PolarHBondContact N-O 3.15Å; L590-T604 HydrophobicContact CD2-CG2 4.18Å
591	T	90.9	Very high	89	Confident	18 Å²	18	38 Å²	38	11%	0.11	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.5	-170.8	-59.6	0	0	0	0	111.1	E586 V593 L602 R603	E586-T591 HydrophobicContact CG-CG2 4.27Å; T591-V593 PolarHBondContact O-N 3.37Å; T591-L602 CarbonylContact O-C 3.51Å; T591-L602 WeakPolarHBondContact O-CA 3.41Å; T591-R603 PolarHBondContact N-O 3.35Å; T591-R603 PolarHBondContact O-N 2.96Å
592	L	91.4	Very high	88.9	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	120.8	172.1	178.8	72.4	0	0	0	110.3	H540 V542 P544 R569 Y571 V582 R595 L600 L602	H540-L592 VanDerWaalsContact CE1-CD2 3.44Å; H540-L592 WeakPolarHBondContact CE1-CD2 3.24Å; V542-L592 HydrophobicContact CB-CD2 4.38Å; V542-L592 HydrophobicContact CG1-CD2 4.37Å; V542-L592 WeakPolarHBondContact O-CD2 3.28Å; P544-L592 HydrophobicContact CG-CD2 4.37Å; P544-L592 HydrophobicContact CG-CG 4.26Å; R569-L592 WeakPolarHBondContact CD-O 3.22Å; Y571-L592 HydrophobicContact CD1-CD2 4.26Å; Y571-L592 HydrophobicContact CE1-CB 3.8Å; Y571-L592 HydrophobicContact CE1-CD2 4.05Å; Y571-L592 HydrophobicContact CE1-CG 4.3Å; Y571-L592 PolarHBondContact OH-N 3.44Å; Y571-L592 PolarHBondContact OH-O 2.81Å; V582-L592 HydrophobicContact CG1-CB 4.01Å; V582-L592 HydrophobicContact CG1-CD2 4.1Å; L592-R595 HydrophobicContact CD1-CB 4.39Å; L592-L600 HydrophobicContact CD1-CD2 3.92Å; L592-L600 HydrophobicContact CD1-CG 3.95Å; L592-L602 HydrophobicContact CB-CD2 4.12Å; L592-L602 HydrophobicContact CD1-CD2 3.78Å
593	V	89.4	Confident	88.8	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-49.4	-177.2	-177.9	0	0	0	0	111.7	P544 Y546 F564 T591 Q601 R603	P544-V593 WeakPolarHBondContact CG-O 3.27Å; Y546-V593 PolarHBondContact OH-O 3.2Å; F564-V593 HydrophobicContact CD1-CG1 3.59Å; F564-V593 HydrophobicContact CE1-CG1 3.62Å; F564-V593 HydrophobicContact CG-CG1 4.31Å; F564-V593 HydrophobicContact CZ-CG1 4.37Å; T591-V593 PolarHBondContact O-N 3.37Å; V593-Q601 PolarHBondContact N-O 3.11Å; V593-R603 HydrophobicContact CG2-CB 3.53Å
594	N	86.9	Confident	88.7	Confident	47 Å²	47	33.1 Å²	33.1	25%	0.251	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.1	178.6	-170.1	23.6	0	0	0	110.7	Q601	N594-Q601 HydrophobicContact CB-CB 4.2Å; N594-Q601 HydrophobicContact CB-CG 4.48Å; N594-Q601 PolarHBondContact N-O 3.28Å; N594-Q601 PolarHBondContact O-N 3.21Å
595	R	86.3	Confident	88.4	Confident	15 Å²	15	34.9 Å²	34.9	6%	0.057	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	118.9	172.5	-174.8	-165.9	175	93.2	1.4	110.5	H540 N541 V542 L592 S599 L600	H540-R595 PolarHBondContact O-NH1 3Å; H540-R595 PolarHBondContact O-NH2 3Å; N541-R595 PolarHBondContact OD1-NH2 2.86Å; N541-R595 VanDerWaalsContact OD1-NH2 3.1Å; V542-R595 WeakPolarHBondContact O-CD 3.33Å; L592-R595 HydrophobicContact CD1-CB 4.39Å; R595-S599 WeakPolarHBondContact CA-O 3.26Å; R595-L600 VanDerWaalsContact NH1-CD1 3.27Å
596	D	81.6	Confident	87.9	Confident	86 Å²	86	38.4 Å²	38.4	46%	0.46	22%	0.221	S	C	.	.			trans	-110.3	-175.3	170.3	-64.9	-44.5	0	0	0	110.6	T598 S599 I614	D596-T598 PolarHBondContact O-N 3.16Å; D596-S599 PolarHBondContact N-O 2.96Å; D596-I614 WeakPolarHBondContact O-CD1 3.29Å
597	L	79.8	Confident	87.5	Confident	143 Å²	143	37.9 Å²	37.9	75%	0.749	23%	0.231	S	C	*	.	S	Bend	trans	-64.6	-22.9	174.7	-69.6	171.6	0	0	0	113	T246	T246-L597 HydrophobicContact CG2-CD1 4.28Å
598	T	85.4	Confident	87.4	Confident	89 Å²	89	39.9 Å²	39.9	55%	0.546	23%	0.233	S	C	.	.	S	Bend	trans	-122.8	-11.3	-171.6	55	0	0	0	0	114.2	D596 L613 I614	D596-T598 PolarHBondContact O-N 3.16Å; T598-L613 WeakPolarHBondContact O-CD1 3.46Å; T598-I614 PolarHBondContact O-N 2.84Å
599	S	89.4	Confident	87.5	Confident	28 Å²	28	43.8 Å²	43.8	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.2	-176.2	68.3	0	0	0	0	111.9	R595 D596 F612	R595-S599 WeakPolarHBondContact CA-O 3.26Å; D596-S599 PolarHBondContact N-O 2.96Å; S599-F612 CarbonylContact C-O 3.54Å; S599-F612 WeakPolarHBondContact CA-O 3.43Å
600	L	92.1	Very high	87.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	131.5	178.6	-171.6	162.7	0	0	0	109.5	L538 L592 R595 L602 F612 I614	L538-L600 HydrophobicContact CD2-CD1 4.13Å; L538-L600 HydrophobicContact CD2-CD2 3.6Å; L538-L600 HydrophobicContact CD2-CG 4.48Å; L592-L600 HydrophobicContact CD1-CD2 3.92Å; L592-L600 HydrophobicContact CD1-CG 3.95Å; R595-L600 VanDerWaalsContact NH1-CD1 3.27Å; L600-L602 HydrophobicContact CD2-CD1 4.32Å; L600-L602 HydrophobicContact CD2-CD2 3.69Å; L600-L602 HydrophobicContact CD2-CG 3.6Å; L600-F612 HydrophobicContact CB-CB 4.33Å; L600-F612 HydrophobicContact CD2-CD2 4.12Å; L600-F612 PolarHBondContact N-O 3.31Å; L600-F612 PolarHBondContact O-N 3.24Å; L600-I614 HydrophobicContact CB-CD1 4.21Å; L600-I614 HydrophobicContact CB-CG1 4.25Å
601	Q	92.4	Very high	87.9	Confident	55 Å²	55	45.8 Å²	45.8	26%	0.257	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.5	180	-66.2	179.6	-7.8	0	0	111.6	V593 N594 I609 L610	V593-Q601 PolarHBondContact N-O 3.11Å; N594-Q601 HydrophobicContact CB-CB 4.2Å; N594-Q601 HydrophobicContact CB-CG 4.48Å; N594-Q601 PolarHBondContact N-O 3.28Å; N594-Q601 PolarHBondContact O-N 3.21Å; Q601-I609 HydrophobicContact CB-CG2 4.11Å; Q601-I609 HydrophobicContact CG-CG2 4.44Å; Q601-L610 WeakPolarHBondContact CA-O 3.47Å
602	L	92.1	Very high	88.1	Confident	1 Å²	1	45 Å²	45	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.4	176.3	-61.7	-178.5	0	0	0	110.7	A537 L538 T591 L592 L600 I609 L610 F612	A537-L602 HydrophobicContact CB-CD1 3.87Å; A537-L602 HydrophobicContact CB-CD2 4.45Å; L538-L602 HydrophobicContact CD2-CD1 3.71Å; L538-L602 HydrophobicContact CD2-CG 4.34Å; L538-L602 HydrophobicContact CG-CD1 4.15Å; T591-L602 CarbonylContact O-C 3.51Å; T591-L602 WeakPolarHBondContact O-CA 3.41Å; L592-L602 HydrophobicContact CB-CD2 4.12Å; L592-L602 HydrophobicContact CD1-CD2 3.78Å; L600-L602 HydrophobicContact CD2-CD1 4.32Å; L600-L602 HydrophobicContact CD2-CD2 3.69Å; L600-L602 HydrophobicContact CD2-CG 3.6Å; L602-I609 CarbonylContact O-C 3.56Å; L602-I609 WeakPolarHBondContact O-CA 3.46Å; L602-L610 HydrophobicContact CB-CB 4.5Å; L602-L610 PolarHBondContact N-O 3.07Å; L602-L610 PolarHBondContact O-N 3.29Å; L602-F612 HydrophobicContact CB-CE2 4.44Å; L602-F612 HydrophobicContact CD1-CE2 4.02Å; L602-F612 HydrophobicContact CG-CE2 4.2Å
603	R	90.7	Very high	88.3	Confident	40 Å²	40	48.1 Å²	48.1	15%	0.151	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.2	169.6	-176.8	-172.9	-61	154	-0.6	109.4	D566 T591 V593	D566-R603 IonicContact OD1-CZ 3.82Å; D566-R603 IonicContact OD1-NH1 2.91Å; D566-R603 PolarHBondContact OD1-NH1 3.14Å; D566-R603 IonicContact OD2-NH1 3.92Å; D566-R603 PolarHBondContact OD2-NH1 2.89Å; T591-R603 PolarHBondContact N-O 3.35Å; T591-R603 PolarHBondContact O-N 2.96Å; V593-R603 HydrophobicContact CG2-CB 3.53Å
604	T	89.3	Confident	88.5	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.031	28%	0.276	C	S	.	.			trans	-83	165.2	177.3	57.8	0	0	0	0	111.6	Y493 G589 L590 S606 G607 Q608 L610	Y493-T604 HydrophobicContact CD1-CG2 3.64Å; Y493-T604 HydrophobicContact CE1-CG2 3.57Å; Y493-T604 HydrophobicContact CE2-CG2 4.49Å; Y493-T604 HydrophobicContact CG-CG2 4.14Å; G589-T604 CarbonylContact O-C 3.59Å; L590-T604 HydrophobicContact CD2-CG2 4.18Å; T604-S606 PolarHBondContact O-N 3.02Å; T604-S606 VanDerWaalsContact O-N 3.14Å; T604-S606 PolarHBondContact OG1-OG 3.19Å; T604-S606 VanDerWaalsContact OG1-OG 3.06Å; T604-G607 PolarHBondContact O-N 3.03Å; T604-Q608 PolarHBondContact N-O 3.26Å; T604-Q608 WeakPolarHBondContact OG1-CA 3.38Å; T604-Q608 WeakPolarHBondContact OG1-CB 3.37Å; T604-Q608 PolarHBondContact OG1-N 2.97Å; T604-Q608 PolarHBondContact OG1-O 2.86Å; T604-L610 HydrophobicContact CG2-CD1 3.61Å; T604-L610 HydrophobicContact CG2-CD2 4.5Å; T604-L610 HydrophobicContact CG2-CG 3.82Å
605	P	84.4	Confident	88.8	Confident	53 Å²	53	47.9 Å²	47.9	34%	0.344	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.1	177.6	-15.3	25.2	0	0	0	113.2	I489 V490 G589 G607	I489-P605 HydrophobicContact CG2-CG 3.9Å; V490-P605 HydrophobicContact CG2-CB 3.88Å; V490-P605 HydrophobicContact CG2-CG 4.14Å; G589-P605 WeakPolarHBondContact O-CD 3.26Å; G589-P605 VanDerWaalsContact O-CG 3.29Å; G589-P605 WeakPolarHBondContact O-CG 3.21Å; G589-P605 VanDerWaalsContact O-N 3.11Å; P605-G607 VanDerWaalsContact C-N 3.26Å
606	S	81.6	Confident	89	Confident	75 Å²	75	48.8 Å²	48.8	52%	0.524	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.1	175.3	53.5	0	0	0	0	113.4	T604 Q608	T604-S606 PolarHBondContact O-N 3.02Å; T604-S606 VanDerWaalsContact O-N 3.14Å; T604-S606 PolarHBondContact OG1-OG 3.19Å; T604-S606 VanDerWaalsContact OG1-OG 3.06Å; S606-Q608 VanDerWaalsContact C-N 3.34Å
607	G	81.1	Confident	89.3	Confident	48 Å²	48	46.2 Å²	46.2	50%	0.495	27%	0.265	S	S	.	.	S	Bend	trans	85.4	-2.3	-179.8	0	0	0	0	0	114.9	T604 P605	T604-G607 PolarHBondContact O-N 3.03Å; P605-G607 VanDerWaalsContact C-N 3.26Å
608	Q	87.8	Confident	89.8	Confident	116 Å²	116	40.3 Å²	40.3	54%	0.542	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-73.3	136.3	176.8	-175.3	-179.6	6.2	0	0	111	T604 S606	T604-Q608 PolarHBondContact N-O 3.26Å; T604-Q608 WeakPolarHBondContact OG1-CA 3.38Å; T604-Q608 WeakPolarHBondContact OG1-CB 3.37Å; T604-Q608 PolarHBondContact OG1-N 2.97Å; T604-Q608 PolarHBondContact OG1-O 2.86Å; S606-Q608 VanDerWaalsContact C-N 3.34Å
609	I	89.9	Confident	89.8	Confident	86 Å²	86	40 Å²	40	44%	0.441	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125	174.8	-58.2	174	0	0	0	109.3	Q601 L602	Q601-I609 HydrophobicContact CB-CG2 4.11Å; Q601-I609 HydrophobicContact CG-CG2 4.44Å; L602-I609 CarbonylContact O-C 3.56Å; L602-I609 WeakPolarHBondContact O-CA 3.46Å
610	L	91.2	Very high	89.5	Confident	21 Å²	21	43.4 Å²	43.4	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.7	172.6	-59.2	175.2	0	0	0	108.9	Y493 Q601 L602 T604 F612	Y493-L610 HydrophobicContact CE1-CD1 3.89Å; Q601-L610 WeakPolarHBondContact CA-O 3.47Å; L602-L610 HydrophobicContact CB-CB 4.5Å; L602-L610 PolarHBondContact N-O 3.07Å; L602-L610 PolarHBondContact O-N 3.29Å; T604-L610 HydrophobicContact CG2-CD1 3.61Å; T604-L610 HydrophobicContact CG2-CD2 4.5Å; T604-L610 HydrophobicContact CG2-CG 3.82Å; L610-F612 HydrophobicContact CB-CD2 4.49Å; L610-F612 HydrophobicContact CB-CE2 3.59Å; L610-F612 HydrophobicContact CB-CZ 4.02Å; L610-F612 HydrophobicContact CD1-CZ 4.41Å
611	S	93.1	Very high	88.7	Confident	33 Å²	33	46.4 Å²	46.4	23%	0.231	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.5	178.7	-63.7	0	0	0	0	111.4	E634	S611-E634 WeakPolarHBondContact CB-OE2 3.37Å; S611-E634 PolarHBondContact O-N 3.39Å; S611-E634 VanDerWaalsContact O-N 3.08Å
612	F	94.5	Very high	87.5	Confident	3 Å²	3	47 Å²	47	1%	0.013	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.8	177.7	-58.6	-90.9	0	0	0	109.9	L538 S599 L600 L602 L610 R632 E633	L538-F612 HydrophobicContact CD1-CD1 4.31Å; L538-F612 HydrophobicContact CD1-CE1 4Å; L538-F612 HydrophobicContact CD1-CZ 4.23Å; L538-F612 HydrophobicContact CD2-CD1 4.14Å; L538-F612 HydrophobicContact CD2-CD2 3.67Å; L538-F612 HydrophobicContact CD2-CE1 4.28Å; L538-F612 HydrophobicContact CD2-CE2 3.81Å; L538-F612 HydrophobicContact CD2-CG 3.85Å; L538-F612 HydrophobicContact CD2-CZ 4.13Å; S599-F612 CarbonylContact C-O 3.54Å; S599-F612 WeakPolarHBondContact CA-O 3.43Å; L600-F612 HydrophobicContact CB-CB 4.33Å; L600-F612 HydrophobicContact CD2-CD2 4.12Å; L600-F612 PolarHBondContact N-O 3.31Å; L600-F612 PolarHBondContact O-N 3.24Å; L602-F612 HydrophobicContact CB-CE2 4.44Å; L602-F612 HydrophobicContact CD1-CE2 4.02Å; L602-F612 HydrophobicContact CG-CE2 4.2Å; L610-F612 HydrophobicContact CB-CD2 4.49Å; L610-F612 HydrophobicContact CB-CE2 3.59Å; L610-F612 HydrophobicContact CB-CZ 4.02Å; L610-F612 HydrophobicContact CD1-CZ 4.41Å; F612-R632 CarbonylContact C-O 3.54Å; F612-R632 WeakPolarHBondContact CA-O 3.38Å; F612-E633 HydrophobicContact CD1-CB 3.84Å; F612-E633 HydrophobicContact CD1-CG 4.17Å; F612-E633 HydrophobicContact CE1-CB 3.74Å; F612-E633 HydrophobicContact CE1-CG 3.7Å; F612-E633 HydrophobicContact CZ-CG 4.39Å
613	L	94.7	Very high	86.5	Confident	65 Å²	65	56 Å²	56	34%	0.34	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.6	170.8	-170.7	76	0	0	0	108.9	T598 L615 V631 R632	T598-L613 WeakPolarHBondContact O-CD1 3.46Å; L613-L615 HydrophobicContact CD2-CD2 3.77Å; L613-L615 HydrophobicContact CG-CD2 4.29Å; L613-L615 PolarHBondContact O-N 3.44Å; L613-V631 WeakPolarHBondContact O-CA 3.44Å; L613-R632 HydrophobicContact CB-CB 4.42Å; L613-R632 PolarHBondContact N-O 2.92Å; L613-R632 PolarHBondContact O-N 3.42Å
614	I	93.7	Very high	86	Confident	10 Å²	10	55.4 Å²	55.4	5%	0.051	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	109	174.3	-56.1	174.4	0	0	0	107.5	D596 T598 L600 V617 I629	D596-I614 WeakPolarHBondContact O-CD1 3.29Å; T598-I614 PolarHBondContact O-N 2.84Å; L600-I614 HydrophobicContact CB-CD1 4.21Å; L600-I614 HydrophobicContact CB-CG1 4.25Å; I614-V617 HydrophobicContact CG2-CG2 3.46Å; I614-V617 VanDerWaalsContact CG2-CG2 3.46Å; I614-I629 HydrophobicContact CD1-CD1 4.34Å; I614-I629 HydrophobicContact CG1-CD1 4.25Å; I614-I629 HydrophobicContact CG2-CD1 4Å; I614-I629 HydrophobicContact CG2-CG1 4.08Å
615	L	92.6	Very high	85.9	Confident	33 Å²	33	58.3 Å²	58.3	17%	0.173	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-47.9	-179.9	-67.5	-176.9	0	0	0	110.8	L613 I630 R632 I639 Y687	L613-L615 HydrophobicContact CD2-CD2 3.77Å; L613-L615 HydrophobicContact CG-CD2 4.29Å; L613-L615 PolarHBondContact O-N 3.44Å; L615-I630 HydrophobicContact CB-CB 4.25Å; L615-I630 HydrophobicContact CB-CG2 4.02Å; L615-I630 HydrophobicContact CD1-CG2 4.01Å; L615-I630 PolarHBondContact N-O 3.02Å; L615-R632 HydrophobicContact CD1-CB 4.04Å; L615-R632 HydrophobicContact CG-CB 4.25Å; L615-I639 HydrophobicContact CD1-CD1 4.14Å; L615-I639 HydrophobicContact CD1-CG1 4.35Å; L615-I639 HydrophobicContact CD1-CG2 4.08Å; L615-Y687 HydrophobicContact CB-CE2 3.9Å; L615-Y687 WeakPolarHBondContact CB-OH 3.3Å; L615-Y687 HydrophobicContact CD1-CD1 4.19Å; L615-Y687 HydrophobicContact CD1-CD2 4.13Å; L615-Y687 HydrophobicContact CD1-CE1 3.85Å; L615-Y687 HydrophobicContact CD1-CE2 3.76Å; L615-Y687 HydrophobicContact CD1-CG 4.34Å; L615-Y687 HydrophobicContact CG-CE2 4.42Å
616	Q	91.2	Very high	86.2	Confident	34 Å²	34	58.4 Å²	58.4	16%	0.159	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	140.2	179	-172.1	55.4	45.1	0	0	110.9	F618 I630 Y694	Q616-F618 HydrophobicContact CB-CZ 4.27Å; Q616-F618 HydrophobicContact CG-CD1 4.43Å; Q616-F618 HydrophobicContact CG-CE1 3.68Å; Q616-F618 HydrophobicContact CG-CE2 4.15Å; Q616-F618 HydrophobicContact CG-CZ 3.52Å; Q616-I630 HydrophobicContact CB-CB 4.45Å; Q616-I630 HydrophobicContact CB-CD1 4.21Å; Q616-I630 HydrophobicContact CB-CG1 4.5Å; Q616-I630 PolarHBondContact N-O 3.03Å; Q616-I630 PolarHBondContact O-N 3.44Å; Q616-Y694 VanDerWaalsContact CD-CE1 3.43Å; Q616-Y694 HydrophobicContact CG-CE1 3.95Å; Q616-Y694 PolarHBondContact NE2-OH 3.3Å
617	V	89.2	Confident	86.7	Confident	33 Å²	33	55 Å²	55	20%	0.2	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.7	172.3	-176.1	0	0	0	0	109.1	I614 M627 I629	I614-V617 HydrophobicContact CG2-CG2 3.46Å; I614-V617 VanDerWaalsContact CG2-CG2 3.46Å; V617-M627 HydrophobicContact CG1-CE 4.24Å; V617-I629 HydrophobicContact CG2-CD1 4.29Å; V617-I629 HydrophobicContact CG2-CG1 4.17Å
618	F	90.2	Very high	87.2	Confident	18 Å²	18	52.8 Å²	52.8	8%	0.079	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	97.1	168.9	-51.3	-73.9	0	0	0	107.4	Q616 G628 I630 F641 F690 Y694 V712 L715	Q616-F618 HydrophobicContact CB-CZ 4.27Å; Q616-F618 HydrophobicContact CG-CD1 4.43Å; Q616-F618 HydrophobicContact CG-CE1 3.68Å; Q616-F618 HydrophobicContact CG-CE2 4.15Å; Q616-F618 HydrophobicContact CG-CZ 3.52Å; F618-G628 PolarHBondContact N-O 2.85Å; F618-G628 PolarHBondContact O-N 2.84Å; F618-I630 HydrophobicContact CE2-CD1 3.92Å; F618-I630 HydrophobicContact CE2-CG1 3.97Å; F618-I630 HydrophobicContact CZ-CD1 4.13Å; F618-F641 AromaticContact CD2-CE2 3.76Å; F618-F641 HydrophobicContact CD2-CE2 3.76Å; F618-F641 HydrophobicContact CD2-CZ 4.32Å; F618-F641 HydrophobicContact CE2-CD2 4.44Å; F618-F641 AromaticContact CE2-CE2 3.72Å; F618-F641 HydrophobicContact CE2-CE2 3.72Å; F618-F641 HydrophobicContact CE2-CZ 4.34Å; F618-F690 HydrophobicContact CE1-CZ 4Å; F618-F690 AromaticContact CZ-CE1 3.94Å; F618-F690 HydrophobicContact CZ-CE1 3.94Å; F618-F690 AromaticContact CZ-CZ 3.54Å; F618-F690 HydrophobicContact CZ-CZ 3.54Å; F618-Y694 AromaticContact CE1-CE2 3.97Å; F618-Y694 HydrophobicContact CE1-CE2 3.97Å; F618-Y694 AromaticContact CE1-CZ 3.96Å; F618-V712 HydrophobicContact CD1-CG1 4.17Å; F618-V712 HydrophobicContact CD1-CG2 3.81Å; F618-V712 HydrophobicContact CE1-CG1 4.4Å; F618-V712 HydrophobicContact CE1-CG2 3.63Å; F618-V712 HydrophobicContact CG-CG1 4.47Å; F618-V712 HydrophobicContact CZ-CG2 4.5Å; F618-L715 HydrophobicContact CE2-CD1 4.31Å; F618-L715 HydrophobicContact CZ-CD1 4.21Å
619	P	84	Confident	87.6	Confident	82 Å²	82	47.2 Å²	47.2	53%	0.532	25%	0.249	S	C	.	.			trans	-64.1	154.6	-174.1	27.4	-34.5	0	0	0	111.2	T621	P619-T621 PolarHBondContact O-N 3.07Å
620	F	83.8	Confident	87.8	Confident	100 Å²	100	43.1 Å²	43.1	44%	0.439	23%	0.228	S	C	.	.			trans	-60.2	132.6	173.6	179.7	-94.3	0	0	0	110.9	K625 R626 M627	F620-K625 VanDerWaalsContact CE2-C 3.47Å; F620-R626 WeakPolarHBondContact CA-O 3.06Å; F620-M627 HydrophobicContact CB-CB 4.14Å
621	T	75.9	Confident	88	Confident	63 Å²	63	42.3 Å²	42.3	39%	0.387	22%	0.224	S	C	.	.			trans	-124.4	151.1	166.2	75.3	0	0	0	0	110.3	P619 E623 S624 K625	P619-T621 PolarHBondContact O-N 3.07Å; T621-E623 PolarHBondContact O-N 3.1Å; T621-S624 PolarHBondContact N-OG 3.15Å; T621-S624 PolarHBondContact O-N 3.02Å; T621-S624 PolarHBondContact O-OG 3.24Å; T621-S624 WeakPolarHBondContact OG1-CB 3.24Å; T621-S624 PolarHBondContact OG1-N 2.79Å; T621-S624 VanDerWaalsContact OG1-N 3.1Å; T621-S624 PolarHBondContact OG1-OG 3.43Å; T621-K625 PolarHBondContact O-N 2.99Å
622	S	67.4	Low	88.1	Confident	69 Å²	69	43.9 Å²	43.9	48%	0.483	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.4	178.5	-75.5	0	0	0	0	113.3	K625 K756	S622-K625 WeakPolarHBondContact O-CG 3.5Å; S622-K756 WeakPolarHBondContact OG-CE 3.21Å; S622-K756 PolarHBondContact OG-NZ 3.33Å
623	E	70.5	Confident	88	Confident	190 Å²	190	44.8 Å²	44.8	89%	0.888	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-44.5	175	-65.7	178.1	176.9	0	0	111.4	T621	T621-E623 PolarHBondContact O-N 3.1Å
624	S	80.4	Confident	87.8	Confident	26 Å²	26	48 Å²	48	18%	0.182	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-26.8	-179.1	75.4	0	0	0	0	113.3	T621 R626	T621-S624 PolarHBondContact N-OG 3.15Å; T621-S624 PolarHBondContact O-N 3.02Å; T621-S624 PolarHBondContact O-OG 3.24Å; T621-S624 WeakPolarHBondContact OG1-CB 3.24Å; T621-S624 PolarHBondContact OG1-N 2.79Å; T621-S624 VanDerWaalsContact OG1-N 3.1Å; T621-S624 PolarHBondContact OG1-OG 3.43Å; S624-R626 WeakPolarHBondContact O-CG 3.49Å; S624-R626 PolarHBondContact O-N 2.94Å; S624-R626 VanDerWaalsContact O-N 3.13Å; S624-R626 PolarHBondContact O-NH1 3.4Å; S624-R626 PolarHBondContact OG-N 3.15Å; S624-R626 PolarHBondContact OG-O 3.13Å; S624-R626 VanDerWaalsContact OG-O 3.13Å
625	K	85.8	Confident	87.5	Confident	67 Å²	67	52 Å²	52	29%	0.291	28%	0.276	S	S	.	.			trans	52.5	25.7	-174.4	-56.8	-171.7	-177.5	-172	0	114.1	F620 T621 S622 G645 A646 A649 E758	F620-K625 VanDerWaalsContact CE2-C 3.47Å; T621-K625 PolarHBondContact O-N 2.99Å; S622-K625 WeakPolarHBondContact O-CG 3.5Å; K625-G645 WeakPolarHBondContact O-CA 3.41Å; K625-A646 HydrophobicContact CB-CB 4.1Å; K625-A646 HydrophobicContact CD-CB 4.44Å; K625-A646 PolarHBondContact O-N 3.14Å; K625-A649 HydrophobicContact CB-CB 4.27Å; K625-E758 IonicContact NZ-OE1 3.96Å; K625-E758 PolarHBondContact NZ-OE1 2.67Å
626	R	90.6	Very high	87.2	Confident	55 Å²	55	54.6 Å²	54.6	21%	0.208	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	156.2	-177.2	66.3	-166.5	175.8	-97.1	10.2	111.9	F620 S624 M643 K644 M650 E716	F620-R626 WeakPolarHBondContact CA-O 3.06Å; S624-R626 WeakPolarHBondContact O-CG 3.49Å; S624-R626 PolarHBondContact O-N 2.94Å; S624-R626 VanDerWaalsContact O-N 3.13Å; S624-R626 PolarHBondContact O-NH1 3.4Å; S624-R626 PolarHBondContact OG-N 3.15Å; S624-R626 PolarHBondContact OG-O 3.13Å; S624-R626 VanDerWaalsContact OG-O 3.13Å; R626-M643 HydrophobicContact CB-CG 4.47Å; R626-M643 HydrophobicContact CB-SD 4.45Å; R626-M643 HydrophobicContact CG-SD 4.37Å; R626-K644 CarbonylContact C-O 3.43Å; R626-K644 WeakPolarHBondContact CA-O 3.48Å; R626-M650 HydrophobicContact CB-SD 4.44Å; R626-E716 IonicContact CZ-OE1 3.27Å; R626-E716 IonicContact CZ-OE2 3.53Å; R626-E716 VanDerWaalsContact CZ-OE2 3.31Å; R626-E716 VanDerWaalsContact NE-CD 3.27Å; R626-E716 IonicContact NE-OE1 2.92Å; R626-E716 PolarHBondContact NE-OE1 3.27Å; R626-E716 IonicContact NE-OE2 2.97Å; R626-E716 PolarHBondContact NE-OE2 2.78Å; R626-E716 IonicContact NH2-OE1 2.76Å; R626-E716 IonicContact NH2-OE2 3.98Å; R626-E716 PolarHBondContact NH2-OE2 3.11Å
627	M	92.1	Very high	87	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.015	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.9	176.8	177.2	-92.5	179.6	0	0	108.9	H540 V617 F620 I629 M643 K644	H540-M627 WeakPolarHBondContact O-CE 3.38Å; V617-M627 HydrophobicContact CG1-CE 4.24Å; F620-M627 HydrophobicContact CB-CB 4.14Å; M627-I629 HydrophobicContact CE-CB 4.18Å; M627-M643 WeakPolarHBondContact O-CA 3.41Å; M627-M643 WeakPolarHBondContact O-CG 3.49Å; M627-K644 HydrophobicContact CB-CG 4.33Å; M627-K644 PolarHBondContact N-O 3.49Å; M627-K644 PolarHBondContact O-N 3.12Å; M627-K644 HydrophobicContact SD-CG 4.49Å
628	G	93.3	Very high	87.1	Confident	1 Å²	1	58 Å²	58	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.9	179.3	0	0	0	0	0	112.2	F618 Y642	F618-G628 PolarHBondContact N-O 2.85Å; F618-G628 PolarHBondContact O-N 2.84Å; G628-Y642 CarbonylContact C-O 3.58Å; G628-Y642 VanDerWaalsContact CA-O 3.28Å; G628-Y642 WeakPolarHBondContact CA-O 3.49Å
629	I	94.7	Very high	87.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	134.4	174.1	-165.7	172.1	0	0	0	110.3	C539 I614 V617 M627 V631 F641 Y642	C539-I629 HydrophobicContact CB-CG2 4.13Å; I614-I629 HydrophobicContact CD1-CD1 4.34Å; I614-I629 HydrophobicContact CG1-CD1 4.25Å; I614-I629 HydrophobicContact CG2-CD1 4Å; I614-I629 HydrophobicContact CG2-CG1 4.08Å; V617-I629 HydrophobicContact CG2-CD1 4.29Å; V617-I629 HydrophobicContact CG2-CG1 4.17Å; M627-I629 HydrophobicContact CE-CB 4.18Å; I629-V631 HydrophobicContact CD1-CG1 3.86Å; I629-V631 HydrophobicContact CG1-CG1 3.83Å; I629-V631 HydrophobicContact CG2-CG1 4.32Å; I629-F641 WeakPolarHBondContact O-CD2 2.86Å; I629-Y642 PolarHBondContact N-O 3.4Å; I629-Y642 PolarHBondContact O-N 3.28Å
630	I	95.6	Very high	87.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.8	170.2	-54.9	177.2	0	0	0	107.4	L615 Q616 F618 I639 F641 L682 Y687 F690 L715	L615-I630 HydrophobicContact CB-CB 4.25Å; L615-I630 HydrophobicContact CB-CG2 4.02Å; L615-I630 HydrophobicContact CD1-CG2 4.01Å; L615-I630 PolarHBondContact N-O 3.02Å; Q616-I630 HydrophobicContact CB-CB 4.45Å; Q616-I630 HydrophobicContact CB-CD1 4.21Å; Q616-I630 HydrophobicContact CB-CG1 4.5Å; Q616-I630 PolarHBondContact N-O 3.03Å; Q616-I630 PolarHBondContact O-N 3.44Å; F618-I630 HydrophobicContact CE2-CD1 3.92Å; F618-I630 HydrophobicContact CE2-CG1 3.97Å; F618-I630 HydrophobicContact CZ-CD1 4.13Å; I630-I639 HydrophobicContact CG2-CG2 3.68Å; I630-F641 HydrophobicContact CD1-CD2 4.5Å; I630-F641 HydrophobicContact CG1-CB 4.36Å; I630-F641 HydrophobicContact CG1-CD2 3.58Å; I630-F641 HydrophobicContact CG1-CE2 4.24Å; I630-F641 HydrophobicContact CG1-CG 4.3Å; I630-L682 HydrophobicContact CD1-CD1 4.5Å; I630-L682 HydrophobicContact CG2-CD1 4.44Å; I630-Y687 HydrophobicContact CD1-CD2 4.4Å; I630-Y687 HydrophobicContact CD1-CE2 4.3Å; I630-Y687 HydrophobicContact CG2-CD2 4.12Å; I630-Y687 HydrophobicContact CG2-CE2 4.13Å; I630-F690 HydrophobicContact CD1-CD1 4.24Å; I630-F690 HydrophobicContact CD1-CE1 4Å; I630-L715 HydrophobicContact CD1-CD1 3.97Å
631	V	95	Very high	88.5	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.5	-179.9	-63.5	0	0	0	0	110.6	L538 L613 I629 I639 T640 Y642	L538-V631 HydrophobicContact CD1-CG2 4.37Å; L613-V631 WeakPolarHBondContact O-CA 3.44Å; I629-V631 HydrophobicContact CD1-CG1 3.86Å; I629-V631 HydrophobicContact CG1-CG1 3.83Å; I629-V631 HydrophobicContact CG2-CG1 4.32Å; V631-I639 WeakPolarHBondContact O-CA 3.4Å; V631-T640 PolarHBondContact N-O 3.01Å; V631-T640 PolarHBondContact O-N 2.8Å; V631-Y642 HydrophobicContact CG2-CD2 3.78Å; V631-Y642 HydrophobicContact CG2-CE2 3.65Å
632	R	94.8	Very high	89.4	Confident	67 Å²	67	46.8 Å²	46.8	25%	0.253	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.9	169.5	-178.3	-175.5	-75	169.4	-5.8	108.9	F612 L613 L615 E638 I639 E684	F612-R632 CarbonylContact C-O 3.54Å; F612-R632 WeakPolarHBondContact CA-O 3.38Å; L613-R632 HydrophobicContact CB-CB 4.42Å; L613-R632 PolarHBondContact N-O 2.92Å; L613-R632 PolarHBondContact O-N 3.42Å; L615-R632 HydrophobicContact CD1-CB 4.04Å; L615-R632 HydrophobicContact CG-CB 4.25Å; R632-E638 WeakPolarHBondContact CA-O 3.39Å; R632-I639 HydrophobicContact CB-CG1 4.21Å; R632-I639 HydrophobicContact CG-CG1 4.11Å; R632-E684 IonicContact CZ-OE2 3.19Å; R632-E684 IonicContact NH2-OE1 3.38Å; R632-E684 PolarHBondContact NH2-OE1 2.56Å; R632-E684 IonicContact NH2-OE2 2.76Å; R632-E684 PolarHBondContact NH2-OE2 2.98Å
633	E	93.1	Very high	90.7	Very high	22 Å²	22	43.5 Å²	43.5	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.3	175.5	-179.8	165.9	-134.3	0	0	110.1	K534 F612 A635 T636 G637 E638	K534-E633 IonicContact NZ-OE1 2.69Å; K534-E633 PolarHBondContact NZ-OE1 3.33Å; K534-E633 IonicContact NZ-OE2 3.52Å; K534-E633 PolarHBondContact NZ-OE2 2.91Å; F612-E633 HydrophobicContact CD1-CB 3.84Å; F612-E633 HydrophobicContact CD1-CG 4.17Å; F612-E633 HydrophobicContact CE1-CB 3.74Å; F612-E633 HydrophobicContact CE1-CG 3.7Å; F612-E633 HydrophobicContact CZ-CG 4.39Å; E633-A635 VanDerWaalsContact C-N 3.33Å; E633-A635 PolarHBondContact O-N 2.7Å; E633-T636 WeakPolarHBondContact CB-OG1 3.3Å; E633-T636 HydrophobicContact CG-CG2 4.41Å; E633-T636 WeakPolarHBondContact CG-OG1 3.32Å; E633-T636 PolarHBondContact OE2-OG1 2.95Å; E633-G637 VanDerWaalsContact O-CA 3.28Å; E633-G637 WeakPolarHBondContact O-CA 3.38Å; E633-G637 PolarHBondContact O-N 3.08Å; E633-E638 PolarHBondContact N-O 2.83Å
634	E	89.6	Confident	91.9	Very high	132 Å²	132	35.2 Å²	35.2	62%	0.617	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-32.4	-173.9	-71.8	-171.6	164.6	0	0	113	S611	S611-E634 WeakPolarHBondContact CB-OE2 3.37Å; S611-E634 PolarHBondContact O-N 3.39Å; S611-E634 VanDerWaalsContact O-N 3.08Å
635	A	86.9	Confident	92.4	Very high	93 Å²	93	34.1 Å²	34.1	77%	0.769	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-36.2	-176.9	0	0	0	0	0	113.3	E633	E633-A635 VanDerWaalsContact C-N 3.33Å; E633-A635 PolarHBondContact O-N 2.7Å
636	T	86.8	Confident	92.5	Very high	88 Å²	88	32 Å²	32	54%	0.54	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-22.1	-174.8	57.8	0	0	0	0	112.7	E633 E638	E633-T636 WeakPolarHBondContact CB-OG1 3.3Å; E633-T636 HydrophobicContact CG-CG2 4.41Å; E633-T636 WeakPolarHBondContact CG-OG1 3.32Å; E633-T636 PolarHBondContact OE2-OG1 2.95Å; T636-E638 PolarHBondContact O-N 3.47Å; T636-E638 PolarHBondContact OG1-N 3.31Å
637	G	87.8	Confident	92.2	Very high	46 Å²	46	31.8 Å²	31.8	47%	0.474	19%	0.187	S	C	.	.			trans	73.2	4	-171.5	0	0	0	0	0	114	E633	E633-G637 VanDerWaalsContact O-CA 3.28Å; E633-G637 WeakPolarHBondContact O-CA 3.38Å; E633-G637 PolarHBondContact O-N 3.08Å
638	E	91.6	Very high	91.8	Very high	92 Å²	92	37 Å²	37	43%	0.43	22%	0.218	S	C	.	.			trans	-72.8	133.1	-176.4	-170.5	176.4	-178.7	0	0	111.3	R632 E633 T636 C681	R632-E638 WeakPolarHBondContact CA-O 3.39Å; E633-E638 PolarHBondContact N-O 2.83Å; T636-E638 PolarHBondContact O-N 3.47Å; T636-E638 PolarHBondContact OG1-N 3.31Å; E638-C681 PolarHBondContact OE1-SG 2.73Å
639	I	95.1	Very high	91.5	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.6	174.6	-57.5	178.1	0	0	0	108.7	L615 I630 V631 R632 L682 E684 Y687	L615-I639 HydrophobicContact CD1-CD1 4.14Å; L615-I639 HydrophobicContact CD1-CG1 4.35Å; L615-I639 HydrophobicContact CD1-CG2 4.08Å; I630-I639 HydrophobicContact CG2-CG2 3.68Å; V631-I639 WeakPolarHBondContact O-CA 3.4Å; R632-I639 HydrophobicContact CB-CG1 4.21Å; R632-I639 HydrophobicContact CG-CG1 4.11Å; I639-L682 HydrophobicContact CB-CB 4.41Å; I639-L682 HydrophobicContact CG2-CB 4.07Å; I639-L682 HydrophobicContact CG2-CD1 4.35Å; I639-L682 PolarHBondContact O-N 3.25Å; I639-E684 WeakPolarHBondContact CD1-OE2 3.36Å; I639-Y687 HydrophobicContact CD1-CD1 4.23Å; I639-Y687 HydrophobicContact CD1-CG 4.16Å
640	T	95.3	Very high	91.3	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.3	177.6	-50.6	0	0	0	0	110.4	V631 Y642 K679	V631-T640 PolarHBondContact N-O 3.01Å; V631-T640 PolarHBondContact O-N 2.8Å; T640-Y642 HydrophobicContact CG2-CD1 4.25Å; T640-Y642 HydrophobicContact CG2-CD2 4.11Å; T640-Y642 HydrophobicContact CG2-CE1 3.82Å; T640-Y642 HydrophobicContact CG2-CE2 3.65Å; T640-Y642 HydrophobicContact CG2-CG 4.38Å; T640-Y642 VanDerWaalsContact CG2-CZ 3.5Å; T640-K679 HydrophobicContact CG2-CB 4.14Å
641	F	95.8	Very high	90.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116	167.3	178.5	-133.2	0	0	0	109.3	F618 I629 I630 M643 K679 K680 L682 L715 M719	F618-F641 AromaticContact CD2-CE2 3.76Å; F618-F641 HydrophobicContact CD2-CE2 3.76Å; F618-F641 HydrophobicContact CD2-CZ 4.32Å; F618-F641 HydrophobicContact CE2-CD2 4.44Å; F618-F641 AromaticContact CE2-CE2 3.72Å; F618-F641 HydrophobicContact CE2-CE2 3.72Å; F618-F641 HydrophobicContact CE2-CZ 4.34Å; I629-F641 WeakPolarHBondContact O-CD2 2.86Å; I630-F641 HydrophobicContact CD1-CD2 4.5Å; I630-F641 HydrophobicContact CG1-CB 4.36Å; I630-F641 HydrophobicContact CG1-CD2 3.58Å; I630-F641 HydrophobicContact CG1-CE2 4.24Å; I630-F641 HydrophobicContact CG1-CG 4.3Å; F641-M643 HydrophobicContact CE1-CE 3.65Å; F641-M643 HydrophobicContact CE2-CE 4.32Å; F641-M643 HydrophobicContact CZ-CE 3.29Å; F641-K679 CarbonylContact O-C 3.56Å; F641-K679 VanDerWaalsContact O-CA 3.29Å; F641-K679 WeakPolarHBondContact O-CA 3.49Å; F641-K680 HydrophobicContact CB-CB 4.41Å; F641-K680 HydrophobicContact CD1-CB 4.41Å; F641-K680 PolarHBondContact N-O 3.44Å; F641-K680 PolarHBondContact O-N 3.27Å; F641-L682 HydrophobicContact CB-CD1 4.06Å; F641-L682 HydrophobicContact CB-CG 4.41Å; F641-L715 HydrophobicContact CD1-CB 4.28Å; F641-L715 HydrophobicContact CE1-CB 3.9Å; F641-L715 HydrophobicContact CZ-CB 4.41Å; F641-M719 HydrophobicContact CD1-CE 4.13Å; F641-M719 HydrophobicContact CD1-SD 3.58Å; F641-M719 VanDerWaalsContact CD1-SD 3.58Å; F641-M719 HydrophobicContact CE1-CE 4.09Å; F641-M719 HydrophobicContact CE1-SD 3.76Å
642	Y	96.1	Very high	90.6	Very high	14 Å²	14	45.3 Å²	45.3	6%	0.055	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.1	173.5	-66.7	-74.5	0	0	0	110.4	A535 L538 G628 I629 V631 T640 K679 L722	A535-Y642 HydrophobicContact CB-CD1 3.49Å; A535-Y642 VanDerWaalsContact CB-CD1 3.49Å; A535-Y642 HydrophobicContact CB-CE1 3.48Å; A535-Y642 VanDerWaalsContact CB-CE1 3.48Å; A535-Y642 HydrophobicContact CB-CG 4.47Å; L538-Y642 HydrophobicContact CB-CD2 4.34Å; L538-Y642 HydrophobicContact CB-CE2 4.4Å; L538-Y642 HydrophobicContact CD1-CD2 4.43Å; L538-Y642 HydrophobicContact CD1-CE2 3.7Å; G628-Y642 CarbonylContact C-O 3.58Å; G628-Y642 VanDerWaalsContact CA-O 3.28Å; G628-Y642 WeakPolarHBondContact CA-O 3.49Å; I629-Y642 PolarHBondContact N-O 3.4Å; I629-Y642 PolarHBondContact O-N 3.28Å; V631-Y642 HydrophobicContact CG2-CD2 3.78Å; V631-Y642 HydrophobicContact CG2-CE2 3.65Å; T640-Y642 HydrophobicContact CG2-CD1 4.25Å; T640-Y642 HydrophobicContact CG2-CD2 4.11Å; T640-Y642 HydrophobicContact CG2-CE1 3.82Å; T640-Y642 HydrophobicContact CG2-CE2 3.65Å; T640-Y642 HydrophobicContact CG2-CG 4.38Å; T640-Y642 VanDerWaalsContact CG2-CZ 3.5Å; Y642-K679 HydrophobicContact CD1-CB 3.78Å; Y642-K679 HydrophobicContact CE1-CB 3.85Å; Y642-L722 HydrophobicContact CE1-CD1 4.42Å
643	M	94.8	Very high	90.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	143	174.7	-174.6	171.2	-71.1	0	0	111.1	R626 M627 F641 M650 I653 V677 A678 E716 M719	R626-M643 HydrophobicContact CB-CG 4.47Å; R626-M643 HydrophobicContact CB-SD 4.45Å; R626-M643 HydrophobicContact CG-SD 4.37Å; M627-M643 WeakPolarHBondContact O-CA 3.41Å; M627-M643 WeakPolarHBondContact O-CG 3.49Å; F641-M643 HydrophobicContact CE1-CE 3.65Å; F641-M643 HydrophobicContact CE2-CE 4.32Å; F641-M643 HydrophobicContact CZ-CE 3.29Å; M643-M650 HydrophobicContact CB-CE 4.23Å; M643-M650 HydrophobicContact CG-CE 3.89Å; M643-M650 HydrophobicContact CG-SD 3.8Å; M643-M650 HydrophobicContact SD-CE 4.07Å; M643-M650 HydrophobicContact SD-SD 3.69Å; M643-M650 VanDerWaalsContact SD-SD 3.69Å; M643-I653 HydrophobicContact SD-CD1 4.19Å; M643-I653 HydrophobicContact SD-CG2 4.25Å; M643-V677 WeakPolarHBondContact O-CA 3.46Å; M643-A678 PolarHBondContact N-O 3.07Å; M643-A678 PolarHBondContact O-N 2.9Å; M643-E716 HydrophobicContact CE-CB 4.45Å; M643-E716 HydrophobicContact CE-CG 3.59Å; M643-E716 WeakPolarHBondContact CE-OE1 3.4Å; M643-M719 HydrophobicContact CB-CE 3.26Å; M643-M719 HydrophobicContact CE-CE 4.47Å; M643-M719 HydrophobicContact CG-CE 4.28Å; M643-M719 HydrophobicContact SD-CE 4.2Å
644	K	94.3	Very high	90.3	Very high	16 Å²	16	42.2 Å²	42.2	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.3	167.2	68.8	-176.9	179.4	-172.2	0	110.7	C539 E578 R626 M627 V676 V677	C539-K644 VanDerWaalsContact O-CD 3.27Å; C539-K644 WeakPolarHBondContact O-CD 3.19Å; C539-K644 WeakPolarHBondContact O-CE 3.48Å; C539-K644 PolarHBondContact O-NZ 2.79Å; E578-K644 VanDerWaalsContact CG-NZ 3.33Å; E578-K644 WeakPolarHBondContact OE1-CE 3.28Å; E578-K644 IonicContact OE1-NZ 3.64Å; E578-K644 PolarHBondContact OE1-NZ 2.87Å; R626-K644 CarbonylContact C-O 3.43Å; R626-K644 WeakPolarHBondContact CA-O 3.48Å; M627-K644 HydrophobicContact CB-CG 4.33Å; M627-K644 PolarHBondContact N-O 3.49Å; M627-K644 PolarHBondContact O-N 3.12Å; M627-K644 HydrophobicContact SD-CG 4.49Å; K644-V676 VanDerWaalsContact CA-O 3.26Å; K644-V676 WeakPolarHBondContact CA-O 3.16Å; K644-V677 HydrophobicContact CB-CG2 4.17Å
645	G	91.8	Very high	90.3	Very high	2 Å²	2	41 Å²	41	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	179	179.4	0	0	0	0	0	114	K625 V676	K625-G645 WeakPolarHBondContact O-CA 3.41Å; G645-V676 PolarHBondContact N-O 2.76Å; G645-V676 PolarHBondContact O-N 3.37Å
646	A	87.9	Confident	90.2	Very high	24 Å²	24	46.4 Å²	46.4	20%	0.198	26%	0.26	C	S	.	.			trans	-63.8	148.7	173.7	0	0	0	0	0	111.2	K625 V648 A649 M650	K625-A646 HydrophobicContact CB-CB 4.1Å; K625-A646 HydrophobicContact CD-CB 4.44Å; K625-A646 PolarHBondContact O-N 3.14Å; A646-V648 PolarHBondContact O-N 3.39Å; A646-A649 PolarHBondContact O-N 3.14Å; A646-M650 WeakPolarHBondContact O-CB 3.46Å; A646-M650 WeakPolarHBondContact O-CG 3.24Å; A646-M650 PolarHBondContact O-N 3.42Å
647	D	85.1	Confident	90.2	Very high	50 Å²	50	44.9 Å²	44.9	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-50.9	-49.7	178.8	55.6	-8.2	0	0	0	113.6	A649 M650 A651 C664 V676	D647-A649 VanDerWaalsContact C-N 3.31Å; D647-A649 PolarHBondContact O-N 3.05Å; D647-M650 PolarHBondContact O-N 2.9Å; D647-A651 VanDerWaalsContact O-CB 3.25Å; D647-A651 WeakPolarHBondContact O-CB 3.13Å; D647-A651 PolarHBondContact O-N 2.92Å; D647-C664 HydrophobicContact CB-CB 4.13Å; D647-V676 HydrophobicContact CB-CG2 4.2Å
648	V	83.3	Confident	90	Very high	111 Å²	111	48.8 Å²	48.8	67%	0.673	26%	0.259	S	S	*	.	H	α-helix	trans	-61.8	-37.1	-178.9	-175.5	0	0	0	0	112.6	A646	A646-V648 PolarHBondContact O-N 3.39Å
649	A	86.5	Confident	89.9	Confident	16 Å²	16	46.9 Å²	46.9	13%	0.132	25%	0.248	C	C	.	.	H	α-helix	trans	-78.9	-38.4	-179.7	0	0	0	0	0	111.6	K625 A646 D647 T652 I653	K625-A649 HydrophobicContact CB-CB 4.27Å; A646-A649 PolarHBondContact O-N 3.14Å; D647-A649 VanDerWaalsContact C-N 3.31Å; D647-A649 PolarHBondContact O-N 3.05Å; A649-T652 PolarHBondContact O-OG1 3.16Å; A649-I653 WeakPolarHBondContact O-CD1 3.47Å; A649-I653 WeakPolarHBondContact O-CG1 3.36Å
650	M	90.2	Very high	89.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-77.2	-29.7	-177.7	-68.3	-63.2	-66.1	0	0	112.2	R626 M643 A646 D647 T652 I653 V654 V676 A678	R626-M650 HydrophobicContact CB-SD 4.44Å; M643-M650 HydrophobicContact CB-CE 4.23Å; M643-M650 HydrophobicContact CG-CE 3.89Å; M643-M650 HydrophobicContact CG-SD 3.8Å; M643-M650 HydrophobicContact SD-CE 4.07Å; M643-M650 HydrophobicContact SD-SD 3.69Å; M643-M650 VanDerWaalsContact SD-SD 3.69Å; A646-M650 WeakPolarHBondContact O-CB 3.46Å; A646-M650 WeakPolarHBondContact O-CG 3.24Å; A646-M650 PolarHBondContact O-N 3.42Å; D647-M650 PolarHBondContact O-N 2.9Å; M650-T652 PolarHBondContact O-N 3.02Å; M650-T652 VanDerWaalsContact O-N 3.17Å; M650-I653 PolarHBondContact O-N 3.35Å; M650-I653 HydrophobicContact SD-CD1 4.28Å; M650-V654 HydrophobicContact CE-CG1 4Å; M650-V654 WeakPolarHBondContact O-CG1 3.38Å; M650-V654 WeakPolarHBondContact O-CG2 3.07Å; M650-V654 PolarHBondContact O-N 3.47Å; M650-V676 HydrophobicContact CB-CB 3.67Å; M650-V676 HydrophobicContact CB-CG1 3.82Å; M650-V676 HydrophobicContact CB-CG2 4.19Å; M650-V676 HydrophobicContact CG-CB 3.92Å; M650-V676 HydrophobicContact CG-CG1 4.37Å; M650-A678 HydrophobicContact CE-CB 3.73Å
651	A	87	Confident	89.1	Confident	38 Å²	38	54.1 Å²	54.1	31%	0.314	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.2	179.4	0	0	0	0	0	113.6	D647	D647-A651 VanDerWaalsContact O-CB 3.25Å; D647-A651 WeakPolarHBondContact O-CB 3.13Å; D647-A651 PolarHBondContact O-N 2.92Å
652	T	88.4	Confident	88.7	Confident	125 Å²	125	60.4 Å²	60.4	77%	0.767	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.3	176.4	57.4	0	0	0	0	114	A649 M650	A649-T652 PolarHBondContact O-OG1 3.16Å; M650-T652 PolarHBondContact O-N 3.02Å; M650-T652 VanDerWaalsContact O-N 3.17Å
653	I	90.8	Very high	88.2	Confident	11 Å²	11	61.6 Å²	61.6	6%	0.056	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-38.9	-174.5	-69	171.9	0	0	0	111	M643 A649 M650 E716 E718 M719	M643-I653 HydrophobicContact SD-CD1 4.19Å; M643-I653 HydrophobicContact SD-CG2 4.25Å; A649-I653 WeakPolarHBondContact O-CD1 3.47Å; A649-I653 WeakPolarHBondContact O-CG1 3.36Å; M650-I653 PolarHBondContact O-N 3.35Å; M650-I653 HydrophobicContact SD-CD1 4.28Å; I653-E716 HydrophobicContact CD1-CB 4.42Å; I653-E716 HydrophobicContact CG2-CB 4.35Å; I653-E716 WeakPolarHBondContact CG2-O 3.29Å; I653-E718 PolarHBondContact O-N 2.81Å; I653-M719 HydrophobicContact CG2-CB 4.17Å; I653-M719 HydrophobicContact CG2-CG 3.7Å; I653-M719 PolarHBondContact O-N 3.15Å
654	V	91.7	Very high	87.8	Confident	14 Å²	14	61.7 Å²	61.7	9%	0.085	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-77.6	156.3	-179.8	-58.4	0	0	0	0	111.3	M650 L660 V676 A678 M719 L721	M650-V654 HydrophobicContact CE-CG1 4Å; M650-V654 WeakPolarHBondContact O-CG1 3.38Å; M650-V654 WeakPolarHBondContact O-CG2 3.07Å; M650-V654 PolarHBondContact O-N 3.47Å; V654-L660 HydrophobicContact CG2-CD2 3.91Å; V654-V676 HydrophobicContact CG1-CG1 4.4Å; V654-A678 HydrophobicContact CG1-CB 3.78Å; V654-M719 WeakPolarHBondContact CA-O 2.99Å; V654-L721 HydrophobicContact CB-CB 4.36Å; V654-L721 HydrophobicContact CG1-CD1 4.49Å
655	Q	89.5	Confident	87.2	Confident	105 Å²	105	62.5 Å²	62.5	49%	0.491	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-58.2	147.8	169.7	-66.4	173.9	9.9	0	0	110.6	N657 E718 M719	Q655-N657 PolarHBondContact O-N 3.46Å; Q655-N657 PolarHBondContact O-ND2 3.07Å; Q655-E718 HydrophobicContact CG-CB 4.37Å; Q655-E718 PolarHBondContact NE2-O 2.93Å; Q655-M719 PolarHBondContact N-O 2.96Å
656	Y	85.7	Confident	86.9	Confident	207 Å²	207	64 Å²	64	81%	0.812	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-55	130.8	-179.2	178.7	-103.2	0	0	0	111.4	D658	Y656-D658 WeakPolarHBondContact CE1-OD1 3.23Å
657	N	85.1	Confident	86.8	Confident	56 Å²	56	62.9 Å²	62.9	30%	0.299	33%	0.329	S	S	.	.			trans	-140.7	130.2	-179.8	-82	-80.3	0	0	0	109.8	Q655 W659 L660 L721	Q655-N657 PolarHBondContact O-N 3.46Å; Q655-N657 PolarHBondContact O-ND2 3.07Å; N657-W659 VanDerWaalsContact C-N 3.3Å; N657-W659 PolarHBondContact O-N 3.47Å; N657-L660 HydrophobicContact CB-CB 4.34Å; N657-L721 HydrophobicContact CB-CD2 4.05Å; N657-L721 WeakPolarHBondContact ND2-CD2 3.44Å
658	D	85.1	Confident	86.5	Confident	129 Å²	129	62.1 Å²	62.1	69%	0.69	33%	0.329	S	S	*	.	S	Bend	trans	-70.9	-24.2	-173.4	-55.5	-15.6	0	0	0	113.8	Y656	Y656-D658 WeakPolarHBondContact CE1-OD1 3.23Å
659	W	89.1	Confident	86.2	Confident	52 Å²	52	64.7 Å²	64.7	20%	0.197	33%	0.327	C	S	.	.	S	Bend	trans	-101.1	-16.5	-169.2	63.1	-89.8	0	0	0	114.3	H471 N657 E661 E662 E663 L721 L724	H471-W659 HydrophobicContact CB-CZ3 4.46Å; H471-W659 AromaticContact CE1-CE3 3.64Å; H471-W659 AromaticContact CE1-CZ3 3.81Å; H471-W659 AromaticContact ND1-CE3 3.43Å; H471-W659 AromaticContact ND1-CH2 3.7Å; H471-W659 AromaticContact ND1-CZ3 3.1Å; H471-W659 WeakPolarHBondContact ND1-CZ3 3.37Å; N657-W659 VanDerWaalsContact C-N 3.3Å; N657-W659 PolarHBondContact O-N 3.47Å; W659-E661 PolarHBondContact O-N 2.9Å; W659-E662 PolarHBondContact O-N 3.24Å; W659-E663 HydrophobicContact CE3-CB 4.07Å; W659-E663 HydrophobicContact CE3-CG 4.04Å; W659-E663 HydrophobicContact CZ3-CB 4.46Å; W659-E663 WeakPolarHBondContact O-CB 3.19Å; W659-E663 PolarHBondContact O-N 3.47Å; W659-L721 HydrophobicContact CH2-CD2 3.96Å; W659-L721 HydrophobicContact CZ2-CD2 3.45Å; W659-L721 VanDerWaalsContact CZ2-CD2 3.45Å; W659-L721 HydrophobicContact CZ2-CG 4.23Å; W659-L724 HydrophobicContact CH2-CB 4.33Å; W659-L724 HydrophobicContact CZ3-CB 4.15Å; W659-L724 HydrophobicContact CZ3-CD2 4.41Å
660	L	88.1	Confident	85.9	Confident	9 Å²	9	68 Å²	68	5%	0.047	34%	0.34	C	S	.	.	H	α-helix	trans	-63.2	-49.3	-168.1	178.8	62.8	0	0	0	112	V654 N657 C664 V676 L721	V654-L660 HydrophobicContact CG2-CD2 3.91Å; N657-L660 HydrophobicContact CB-CB 4.34Å; L660-C664 VanDerWaalsContact O-CB 3.26Å; L660-C664 WeakPolarHBondContact O-CB 3.24Å; L660-C664 PolarHBondContact O-N 2.81Å; L660-C664 PolarHBondContact O-SG 3.1Å; L660-V676 HydrophobicContact CD1-CG1 4.3Å; L660-V676 HydrophobicContact CD1-CG2 3.93Å; L660-V676 HydrophobicContact CD2-CG1 4.42Å; L660-L721 HydrophobicContact CB-CD2 4.43Å; L660-L721 HydrophobicContact CD1-CD2 4.23Å; L660-L721 HydrophobicContact CD2-CD2 4.31Å
661	E	84.9	Confident	85.3	Confident	157 Å²	157	68.2 Å²	68.2	73%	0.734	34%	0.342	S	S	*	.	H	α-helix	trans	-64.8	-41.7	-178.4	-71.1	-172.1	167.1	0	0	112.4	W659 G665	W659-E661 PolarHBondContact O-N 2.9Å; E661-G665 PolarHBondContact O-N 2.87Å
662	E	86.7	Confident	85.3	Confident	132 Å²	132	67 Å²	67	62%	0.617	33%	0.33	S	S	*	.	H	α-helix	trans	-65.4	-47.5	-179.6	-173.9	173.6	-176.1	0	0	111.5	W659 G665 N666	W659-E662 PolarHBondContact O-N 3.24Å; E662-G665 CarbonylContact O-C 3.58Å; E662-G665 WeakPolarHBondContact O-CA 3.27Å; E662-G665 PolarHBondContact O-N 3.49Å; E662-G665 VanDerWaalsContact O-N 3.15Å; E662-N666 PolarHBondContact O-N 2.9Å
663	E	87.5	Confident	85.2	Confident	39 Å²	39	63.1 Å²	63.1	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-71.5	-35.1	-179	-71.2	-55.9	132.5	0	0	112.9	H471 W659 G665 N666 M667 L724	H471-E663 IonicContact CD2-OE2 3.09Å; H471-E663 IonicContact NE2-OE2 3.73Å; W659-E663 HydrophobicContact CE3-CB 4.07Å; W659-E663 HydrophobicContact CE3-CG 4.04Å; W659-E663 HydrophobicContact CZ3-CB 4.46Å; W659-E663 WeakPolarHBondContact O-CB 3.19Å; W659-E663 PolarHBondContact O-N 3.47Å; E663-G665 VanDerWaalsContact C-N 3.27Å; E663-G665 PolarHBondContact O-N 2.79Å; E663-N666 PolarHBondContact O-N 3.32Å; E663-N666 PolarHBondContact OE1-ND2 3.21Å; E663-N666 PolarHBondContact OE2-ND2 3.36Å; E663-M667 WeakPolarHBondContact O-CG 3.39Å; E663-M667 PolarHBondContact O-N 2.97Å; E663-L724 HydrophobicContact CB-CD2 4.08Å
664	C	86.4	Confident	85.1	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.02	30%	0.304	C	S	.	.	H	α-helix	trans	-57.1	-44.7	167.9	-75.9	0	0	0	0	110.8	D647 L660 N666 M667 A668 L724	D647-C664 HydrophobicContact CB-CB 4.13Å; L660-C664 VanDerWaalsContact O-CB 3.26Å; L660-C664 WeakPolarHBondContact O-CB 3.24Å; L660-C664 PolarHBondContact O-N 2.81Å; L660-C664 PolarHBondContact O-SG 3.1Å; C664-N666 PolarHBondContact O-N 2.84Å; C664-M667 PolarHBondContact O-N 3.04Å; C664-A668 VanDerWaalsContact O-CB 3.28Å; C664-A668 WeakPolarHBondContact O-CB 3.33Å; C664-A668 PolarHBondContact O-N 3.21Å; C664-L724 VanDerWaalsContact SG-CD1 3.55Å
665	G	81.4	Confident	85.1	Confident	32 Å²	32	64.5 Å²	64.5	33%	0.33	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-39.2	174.7	0	0	0	0	0	113.5	E661 E662 E663 R669	E661-G665 PolarHBondContact O-N 2.87Å; E662-G665 CarbonylContact O-C 3.58Å; E662-G665 WeakPolarHBondContact O-CA 3.27Å; E662-G665 PolarHBondContact O-N 3.49Å; E662-G665 VanDerWaalsContact O-N 3.15Å; E663-G665 VanDerWaalsContact C-N 3.27Å; E663-G665 PolarHBondContact O-N 2.79Å; G665-R669 VanDerWaalsContact O-CG 3.31Å; G665-R669 WeakPolarHBondContact O-CG 3.41Å; G665-R669 PolarHBondContact O-N 2.78Å
666	N	84.8	Confident	85.3	Confident	35 Å²	35	59.5 Å²	59.5	19%	0.187	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-51.2	176.2	-69.5	-19.5	0	0	0	111.6	E662 E663 C664 A668 R669 E670	E662-N666 PolarHBondContact O-N 2.9Å; E663-N666 PolarHBondContact O-N 3.32Å; E663-N666 PolarHBondContact OE1-ND2 3.21Å; E663-N666 PolarHBondContact OE2-ND2 3.36Å; C664-N666 PolarHBondContact O-N 2.84Å; N666-A668 PolarHBondContact O-N 3.02Å; N666-R669 WeakPolarHBondContact O-CB 3.05Å; N666-R669 PolarHBondContact O-N 3.49Å; N666-R669 VanDerWaalsContact O-N 3.17Å; N666-R669 PolarHBondContact OD1-NH2 3.21Å; N666-E670 PolarHBondContact O-N 2.98Å; N666-E670 VanDerWaalsContact O-N 3.14Å
667	M	85.9	Confident	85.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-40	178.9	-68.4	-169.5	-172.1	0	0	112.3	R469 H471 E663 C664 R669 E670 G671 L672 T674 L724	R469-M667 HydrophobicContact CB-CE 4.09Å; R469-M667 HydrophobicContact CB-SD 4.42Å; H471-M667 HydrophobicContact CB-CE 3.57Å; E663-M667 WeakPolarHBondContact O-CG 3.39Å; E663-M667 PolarHBondContact O-N 2.97Å; C664-M667 PolarHBondContact O-N 3.04Å; M667-R669 VanDerWaalsContact C-N 3.3Å; M667-R669 PolarHBondContact O-N 3.18Å; M667-E670 PolarHBondContact O-N 3.01Å; M667-E670 VanDerWaalsContact O-N 3.15Å; M667-G671 PolarHBondContact O-N 3.43Å; M667-L672 HydrophobicContact CB-CB 4.31Å; M667-L672 HydrophobicContact CB-CD1 4.4Å; M667-L672 HydrophobicContact CG-CD1 4.47Å; M667-L672 PolarHBondContact O-N 3.02Å; M667-T674 HydrophobicContact CB-CG2 3.5Å; M667-T674 VanDerWaalsContact CB-CG2 3.5Å; M667-T674 HydrophobicContact CG-CG2 4.38Å; M667-T674 HydrophobicContact SD-CG2 4.12Å; M667-L724 HydrophobicContact CE-CD2 3.81Å; M667-L724 HydrophobicContact CE-CG 4.06Å; M667-L724 HydrophobicContact SD-CD2 3.77Å; M667-L724 HydrophobicContact SD-CG 3.89Å
668	A	79.5	Confident	86.3	Confident	34 Å²	34	47.1 Å²	47.1	28%	0.281	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-32.5	175.5	0	0	0	0	0	112.6	C664 N666 E670 G671	C664-A668 VanDerWaalsContact O-CB 3.28Å; C664-A668 WeakPolarHBondContact O-CB 3.33Å; C664-A668 PolarHBondContact O-N 3.21Å; N666-A668 PolarHBondContact O-N 3.02Å; A668-E670 VanDerWaalsContact C-N 3.35Å; A668-G671 PolarHBondContact O-N 2.86Å
669	R	76.9	Confident	86.8	Confident	165 Å²	165	41.9 Å²	41.9	62%	0.623	20%	0.204	S	C	*	.	H	α-helix	trans	-69.7	-30.6	173	-78.1	-172.8	-72.1	174.6	-8.1	112.9	G665 N666 M667 G671	G665-R669 VanDerWaalsContact O-CG 3.31Å; G665-R669 WeakPolarHBondContact O-CG 3.41Å; G665-R669 PolarHBondContact O-N 2.78Å; N666-R669 WeakPolarHBondContact O-CB 3.05Å; N666-R669 PolarHBondContact O-N 3.49Å; N666-R669 VanDerWaalsContact O-N 3.17Å; N666-R669 PolarHBondContact OD1-NH2 3.21Å; M667-R669 VanDerWaalsContact C-N 3.3Å; M667-R669 PolarHBondContact O-N 3.18Å; R669-G671 PolarHBondContact O-N 3.27Å
670	E	78.6	Confident	87	Confident	86 Å²	86	42.2 Å²	42.2	40%	0.402	21%	0.207	S	C	.	.	H	α-helix	trans	-74.2	-13.6	172.3	-68.1	-176.7	-175.5	0	0	112.9	R469 N666 M667 A668 L672	R469-E670 IonicContact CZ-OE1 3.27Å; R469-E670 VanDerWaalsContact CZ-OE1 3.3Å; R469-E670 IonicContact CZ-OE2 3.22Å; R469-E670 IonicContact NE-OE2 3.18Å; R469-E670 PolarHBondContact NE-OE2 2.72Å; R469-E670 IonicContact NH1-OE1 2.73Å; R469-E670 PolarHBondContact NH1-OE1 3.42Å; R469-E670 IonicContact NH1-OE2 2.91Å; R469-E670 IonicContact NH2-OE1 3.79Å; R469-E670 PolarHBondContact NH2-OE1 2.89Å; R469-E670 IonicContact NH2-OE2 2.7Å; R469-E670 PolarHBondContact NH2-OE2 2.88Å; N666-E670 PolarHBondContact O-N 2.98Å; N666-E670 VanDerWaalsContact O-N 3.14Å; M667-E670 PolarHBondContact O-N 3.01Å; M667-E670 VanDerWaalsContact O-N 3.15Å; A668-E670 VanDerWaalsContact C-N 3.35Å; E670-L672 HydrophobicContact CB-CG 4.34Å
671	G	79.1	Confident	87.3	Confident	4 Å²	4	44.8 Å²	44.8	4%	0.041	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	26.2	-178.3	0	0	0	0	0	113.3	M667 A668 R669 C762	M667-G671 PolarHBondContact O-N 3.43Å; A668-G671 PolarHBondContact O-N 2.86Å; R669-G671 PolarHBondContact O-N 3.27Å; G671-C762 WeakPolarHBondContact CA-SG 3.4Å; G671-C762 PolarHBondContact O-SG 2.64Å
672	L	85.8	Confident	87.6	Confident	12 Å²	12	38.1 Å²	38.1	6%	0.063	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-93.6	143.7	172.7	-55.4	178.5	0	0	0	110.2	K468 R469 M667 E670 E728	K468-L672 HydrophobicContact CB-CD1 4.42Å; K468-L672 HydrophobicContact CB-CD2 3.92Å; K468-L672 HydrophobicContact CG-CD2 4.1Å; R469-L672 HydrophobicContact CB-CD1 4.22Å; R469-L672 HydrophobicContact CG-CD1 3.95Å; M667-L672 HydrophobicContact CB-CB 4.31Å; M667-L672 HydrophobicContact CB-CD1 4.4Å; M667-L672 HydrophobicContact CG-CD1 4.47Å; M667-L672 PolarHBondContact O-N 3.02Å; E670-L672 HydrophobicContact CB-CG 4.34Å; L672-E728 HydrophobicContact CD2-CB 3.72Å; L672-E728 HydrophobicContact CD2-CG 4.3Å
673	R	86.6	Confident	88	Confident	43 Å²	43	34.3 Å²	34.3	16%	0.162	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.3	166.6	-59.7	-177.1	-174.8	-173.5	3.6	108.6	M465 D577 G726 V727 D729	M465-R673 VanDerWaalsContact CE-NH2 3.34Å; D577-R673 IonicContact OD1-NH1 3.12Å; D577-R673 PolarHBondContact OD1-NH1 2.76Å; D577-R673 VanDerWaalsContact OD1-NH1 3.09Å; D577-R673 IonicContact OD2-NH1 3.69Å; D577-R673 PolarHBondContact OD2-NH1 3.09Å; R673-G726 WeakPolarHBondContact O-CA 3.38Å; R673-V727 WeakPolarHBondContact CB-O 3.45Å; R673-V727 PolarHBondContact N-O 2.79Å; R673-V727 PolarHBondContact O-N 2.69Å; R673-D729 IonicContact NH2-OD2 2.7Å; R673-D729 PolarHBondContact NH2-OD2 3.49Å
674	T	88.9	Confident	88.2	Confident	21 Å²	21	36.2 Å²	36.2	13%	0.129	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.8	-177.3	44.6	0	0	0	0	111	M667 L724 T725	M667-T674 HydrophobicContact CB-CG2 3.5Å; M667-T674 VanDerWaalsContact CB-CG2 3.5Å; M667-T674 HydrophobicContact CG-CG2 4.38Å; M667-T674 HydrophobicContact SD-CG2 4.12Å; T674-L724 HydrophobicContact CG2-CD1 4.22Å; T674-T725 WeakPolarHBondContact CA-O 3.29Å
675	L	92.3	Very high	88.5	Confident	33 Å²	33	43.7 Å²	43.7	17%	0.173	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.8	170.2	-68.3	171.1	0	0	0	110	L581 T725	L581-L675 HydrophobicContact CD1-CD1 4.13Å; L675-T725 WeakPolarHBondContact CB-OG1 3.42Å; L675-T725 PolarHBondContact N-O 3.49Å; L675-T725 PolarHBondContact O-N 2.87Å; L675-T725 PolarHBondContact O-OG1 2.91Å; L675-T725 VanDerWaalsContact O-OG1 3.12Å
676	V	94.1	Very high	89	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.1	178.2	-176.7	0	0	0	0	108.6	K644 G645 D647 M650 V654 L660 L721 L724	K644-V676 VanDerWaalsContact CA-O 3.26Å; K644-V676 WeakPolarHBondContact CA-O 3.16Å; G645-V676 PolarHBondContact N-O 2.76Å; G645-V676 PolarHBondContact O-N 3.37Å; D647-V676 HydrophobicContact CB-CG2 4.2Å; M650-V676 HydrophobicContact CB-CB 3.67Å; M650-V676 HydrophobicContact CB-CG1 3.82Å; M650-V676 HydrophobicContact CB-CG2 4.19Å; M650-V676 HydrophobicContact CG-CB 3.92Å; M650-V676 HydrophobicContact CG-CG1 4.37Å; V654-V676 HydrophobicContact CG1-CG1 4.4Å; L660-V676 HydrophobicContact CD1-CG1 4.3Å; L660-V676 HydrophobicContact CD1-CG2 3.93Å; L660-V676 HydrophobicContact CD2-CG1 4.42Å; V676-L721 HydrophobicContact CG1-CD1 3.34Å; V676-L724 HydrophobicContact CG2-CD1 4.01Å
677	V	95.3	Very high	89.3	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.3	179.5	-174.1	0	0	0	0	109.5	A535 V536 M643 K644 L722 C723 T725	A535-V677 HydrophobicContact CB-CG1 3.87Å; V536-V677 HydrophobicContact CG2-CG2 4.27Å; M643-V677 WeakPolarHBondContact O-CA 3.46Å; K644-V677 HydrophobicContact CB-CG2 4.17Å; V677-L722 PolarHBondContact O-N 2.83Å; V677-C723 PolarHBondContact N-O 3.19Å; V677-C723 PolarHBondContact O-N 3.31Å; V677-T725 HydrophobicContact CG2-CG2 4.37Å
678	A	95.3	Very high	89.7	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.3	-178.1	0	0	0	0	0	111.4	M643 M650 V654 M719 E720	M643-A678 PolarHBondContact N-O 3.07Å; M643-A678 PolarHBondContact O-N 2.9Å; M650-A678 HydrophobicContact CE-CB 3.73Å; V654-A678 HydrophobicContact CG1-CB 3.78Å; A678-M719 HydrophobicContact CB-CB 3.97Å; A678-M719 HydrophobicContact CB-CE 3.91Å; A678-E720 CarbonylContact C-O 3.51Å; A678-E720 WeakPolarHBondContact CA-O 3.21Å; A678-E720 VanDerWaalsContact CB-O 3.26Å; A678-E720 WeakPolarHBondContact CB-O 3.4Å
679	K	94.8	Very high	90.3	Very high	19 Å²	19	54.4 Å²	54.4	8%	0.083	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	162.7	175.9	72.5	171.9	-173.4	-173.6	0	112.4	E531 T640 F641 Y642 E720 L722	E531-K679 IonicContact OE1-NZ 3.74Å; E531-K679 PolarHBondContact OE1-NZ 3.45Å; E531-K679 VanDerWaalsContact OE1-NZ 3.16Å; E531-K679 IonicContact OE2-NZ 3.16Å; E531-K679 PolarHBondContact OE2-NZ 2.73Å; T640-K679 HydrophobicContact CG2-CB 4.14Å; F641-K679 CarbonylContact O-C 3.56Å; F641-K679 VanDerWaalsContact O-CA 3.29Å; F641-K679 WeakPolarHBondContact O-CA 3.49Å; Y642-K679 HydrophobicContact CD1-CB 3.78Å; Y642-K679 HydrophobicContact CE1-CB 3.85Å; K679-E720 WeakPolarHBondContact CE-OE2 3.23Å; K679-E720 HydrophobicContact CG-CB 4.3Å; K679-E720 PolarHBondContact N-O 3.36Å; K679-E720 IonicContact NZ-OE2 2.62Å; K679-E720 PolarHBondContact O-N 3Å; K679-L722 HydrophobicContact CB-CD1 3.88Å; K679-L722 HydrophobicContact CB-CG 4.34Å; K679-L722 HydrophobicContact CD-CD1 4.01Å; K679-L722 HydrophobicContact CD-CD2 3.83Å; K679-L722 HydrophobicContact CD-CG 4.27Å; K679-L722 HydrophobicContact CG-CD1 3.89Å; K679-L722 HydrophobicContact CG-CD2 3.9Å; K679-L722 HydrophobicContact CG-CG 3.94Å
680	K	94.6	Very high	91.1	Very high	60 Å²	60	46.6 Å²	46.6	26%	0.261	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	120.6	168.4	-176.2	170.5	-176.3	169.9	0	109.4	F641 L682 L715 R717 M719	F641-K680 HydrophobicContact CB-CB 4.41Å; F641-K680 HydrophobicContact CD1-CB 4.41Å; F641-K680 PolarHBondContact N-O 3.44Å; F641-K680 PolarHBondContact O-N 3.27Å; K680-L682 HydrophobicContact CG-CD2 4.4Å; K680-L715 PolarHBondContact NZ-O 3.47Å; K680-L715 VanDerWaalsContact NZ-O 3.1Å; K680-R717 PolarHBondContact NZ-O 3.04Å; K680-M719 HydrophobicContact CB-SD 3.58Å; K680-M719 VanDerWaalsContact CB-SD 3.58Å; K680-M719 HydrophobicContact CD-SD 4.11Å
681	C	92.9	Very high	91.7	Very high	63 Å²	63	44.9 Å²	44.9	43%	0.426	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.2	174.3	-60.1	0	0	0	0	109.4	E638	E638-C681 PolarHBondContact OE1-SG 2.73Å
682	L	92.9	Very high	92.3	Very high	16 Å²	16	48.3 Å²	48.3	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.9	-179.7	-62.3	175.5	0	0	0	109.8	I630 I639 F641 K680 L715	I630-L682 HydrophobicContact CD1-CD1 4.5Å; I630-L682 HydrophobicContact CG2-CD1 4.44Å; I639-L682 HydrophobicContact CB-CB 4.41Å; I639-L682 HydrophobicContact CG2-CB 4.07Å; I639-L682 HydrophobicContact CG2-CD1 4.35Å; I639-L682 PolarHBondContact O-N 3.25Å; F641-L682 HydrophobicContact CB-CD1 4.06Å; F641-L682 HydrophobicContact CB-CG 4.41Å; K680-L682 HydrophobicContact CG-CD2 4.4Å; L682-L715 HydrophobicContact CD1-CD2 4.45Å; L682-L715 HydrophobicContact CD2-CD2 4.33Å
683	S	93.7	Very high	92.6	Very high	53 Å²	53	51.9 Å²	51.9	37%	0.371	26%	0.261	S	S	.	.			trans	-75.7	158.8	165.7	75.2	0	0	0	0	110.8	E685 Q686 Y687	S683-E685 PolarHBondContact O-N 3.43Å; S683-Q686 PolarHBondContact O-N 2.96Å; S683-Q686 VanDerWaalsContact O-N 3.14Å; S683-Q686 VanDerWaalsContact OG-CG 3.29Å; S683-Q686 WeakPolarHBondContact OG-CG 3.29Å; S683-Q686 PolarHBondContact OG-N 3.24Å; S683-Y687 PolarHBondContact O-N 3.46Å
684	E	91.5	Very high	92.7	Very high	78 Å²	78	50.5 Å²	50.5	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-57.1	-39.4	177	-173.2	63.2	-151.4	0	0	111.8	R632 I639 Y687 Q688	R632-E684 IonicContact CZ-OE2 3.19Å; R632-E684 IonicContact NH2-OE1 3.38Å; R632-E684 PolarHBondContact NH2-OE1 2.56Å; R632-E684 IonicContact NH2-OE2 2.76Å; R632-E684 PolarHBondContact NH2-OE2 2.98Å; I639-E684 WeakPolarHBondContact CD1-OE2 3.36Å; E684-Y687 PolarHBondContact O-N 3.01Å; E684-Q688 VanDerWaalsContact O-CG 3.32Å; E684-Q688 WeakPolarHBondContact O-CG 3.49Å; E684-Q688 PolarHBondContact O-N 3.02Å; E684-Q688 PolarHBondContact OE1-NE2 3.23Å
685	E	92.7	Very high	92.6	Very high	160 Å²	160	51.8 Å²	51.8	75%	0.748	27%	0.266	S	S	*	.	H	α-helix	trans	-64.2	-42.8	176.5	-63.9	179.4	178.2	0	0	112.2	S683 Y687 Q688 D689	S683-E685 PolarHBondContact O-N 3.43Å; E685-Y687 VanDerWaalsContact C-N 3.34Å; E685-Y687 PolarHBondContact O-N 2.82Å; E685-Q688 PolarHBondContact O-N 2.9Å; E685-D689 PolarHBondContact O-N 3.35Å
686	Q	91.8	Very high	92.3	Very high	106 Å²	106	57.1 Å²	57.1	50%	0.495	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-39.7	177.7	-74.4	173.2	-26.2	0	0	111.8	S683 F690	S683-Q686 PolarHBondContact O-N 2.96Å; S683-Q686 VanDerWaalsContact O-N 3.14Å; S683-Q686 VanDerWaalsContact OG-CG 3.29Å; S683-Q686 WeakPolarHBondContact OG-CG 3.29Å; S683-Q686 PolarHBondContact OG-N 3.24Å; Q686-F690 WeakPolarHBondContact O-CB 3.45Å; Q686-F690 PolarHBondContact O-N 2.97Å; Q686-F690 VanDerWaalsContact O-N 3.09Å
687	Y	93	Very high	91.8	Very high	25 Å²	25	57.5 Å²	57.5	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-44.3	177	173.9	-103.5	0	0	0	111.8	L615 I630 I639 S683 E684 E685 D689 F690 E691	L615-Y687 HydrophobicContact CB-CE2 3.9Å; L615-Y687 WeakPolarHBondContact CB-OH 3.3Å; L615-Y687 HydrophobicContact CD1-CD1 4.19Å; L615-Y687 HydrophobicContact CD1-CD2 4.13Å; L615-Y687 HydrophobicContact CD1-CE1 3.85Å; L615-Y687 HydrophobicContact CD1-CE2 3.76Å; L615-Y687 HydrophobicContact CD1-CG 4.34Å; L615-Y687 HydrophobicContact CG-CE2 4.42Å; I630-Y687 HydrophobicContact CD1-CD2 4.4Å; I630-Y687 HydrophobicContact CD1-CE2 4.3Å; I630-Y687 HydrophobicContact CG2-CD2 4.12Å; I630-Y687 HydrophobicContact CG2-CE2 4.13Å; I639-Y687 HydrophobicContact CD1-CD1 4.23Å; I639-Y687 HydrophobicContact CD1-CG 4.16Å; S683-Y687 PolarHBondContact O-N 3.46Å; E684-Y687 PolarHBondContact O-N 3.01Å; E685-Y687 VanDerWaalsContact C-N 3.34Å; E685-Y687 PolarHBondContact O-N 2.82Å; Y687-D689 PolarHBondContact O-N 2.83Å; Y687-F690 PolarHBondContact O-N 3.14Å; Y687-E691 WeakPolarHBondContact O-CB 3.2Å; Y687-E691 PolarHBondContact O-N 3.24Å
688	Q	93.3	Very high	91	Very high	111 Å²	111	61.7 Å²	61.7	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-40.4	179	-72.4	177.2	14.6	0	0	112.6	E684 E685 E691 S692	E684-Q688 VanDerWaalsContact O-CG 3.32Å; E684-Q688 WeakPolarHBondContact O-CG 3.49Å; E684-Q688 PolarHBondContact O-N 3.02Å; E684-Q688 PolarHBondContact OE1-NE2 3.23Å; E685-Q688 PolarHBondContact O-N 2.9Å; Q688-E691 PolarHBondContact O-N 3.04Å; Q688-S692 WeakPolarHBondContact O-CB 3.38Å; Q688-S692 PolarHBondContact O-N 2.99Å
689	D	93.1	Very high	90.2	Very high	85 Å²	85	68.8 Å²	68.8	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-46.2	172.8	175.5	70.1	0	0	0	111.7	E685 Y687 S692 R693	E685-D689 PolarHBondContact O-N 3.35Å; Y687-D689 PolarHBondContact O-N 2.83Å; D689-S692 PolarHBondContact O-N 2.97Å; D689-R693 PolarHBondContact O-N 2.82Å; D689-R693 VanDerWaalsContact O-N 3.14Å; D689-R693 IonicContact OD1-NE 2.73Å; D689-R693 IonicContact OD2-CZ 3.95Å; D689-R693 VanDerWaalsContact OD2-CZ 3.27Å; D689-R693 IonicContact OD2-NE 3.33Å; D689-R693 PolarHBondContact OD2-NE 2.92Å; D689-R693 IonicContact OD2-NH2 2.83Å; D689-R693 PolarHBondContact OD2-NH2 3.48Å
690	F	93.1	Very high	89.4	Confident	1 Å²	1	69 Å²	69	0%	0.004	35%	0.352	C	S	.	.	H	α-helix	trans	-59	-49.7	176.4	169.7	-95.5	0	0	0	111.9	F618 I630 Q686 Y687 S692 R693 Y694 V711 L715	F618-F690 HydrophobicContact CE1-CZ 4Å; F618-F690 AromaticContact CZ-CE1 3.94Å; F618-F690 HydrophobicContact CZ-CE1 3.94Å; F618-F690 AromaticContact CZ-CZ 3.54Å; F618-F690 HydrophobicContact CZ-CZ 3.54Å; I630-F690 HydrophobicContact CD1-CD1 4.24Å; I630-F690 HydrophobicContact CD1-CE1 4Å; Q686-F690 WeakPolarHBondContact O-CB 3.45Å; Q686-F690 PolarHBondContact O-N 2.97Å; Q686-F690 VanDerWaalsContact O-N 3.09Å; Y687-F690 PolarHBondContact O-N 3.14Å; F690-S692 VanDerWaalsContact C-N 3.3Å; F690-S692 PolarHBondContact O-N 2.93Å; F690-R693 PolarHBondContact O-N 3.38Å; F690-Y694 HydrophobicContact CE1-CD1 4.44Å; F690-Y694 HydrophobicContact CE1-CG 4.18Å; F690-Y694 AromaticContact CZ-CD2 3.97Å; F690-Y694 HydrophobicContact CZ-CD2 3.97Å; F690-Y694 AromaticContact CZ-CG 3.95Å; F690-Y694 HydrophobicContact CZ-CG 3.95Å; F690-Y694 VanDerWaalsContact O-CB 3.22Å; F690-Y694 WeakPolarHBondContact O-CB 3.45Å; F690-Y694 PolarHBondContact O-N 2.79Å; F690-V711 HydrophobicContact CD2-CG1 3.95Å; F690-V711 HydrophobicContact CE2-CG1 3.67Å; F690-V711 HydrophobicContact CZ-CG1 4.49Å; F690-L715 HydrophobicContact CB-CD2 4.44Å; F690-L715 HydrophobicContact CD1-CD1 4.13Å; F690-L715 HydrophobicContact CD2-CD1 3.49Å; F690-L715 VanDerWaalsContact CD2-CD1 3.49Å; F690-L715 HydrophobicContact CD2-CD2 3.83Å; F690-L715 HydrophobicContact CD2-CG 3.53Å; F690-L715 HydrophobicContact CE1-CD1 3.92Å; F690-L715 HydrophobicContact CE2-CD1 3.21Å; F690-L715 HydrophobicContact CE2-CD2 4.38Å; F690-L715 HydrophobicContact CE2-CG 3.6Å; F690-L715 HydrophobicContact CG-CD1 3.94Å; F690-L715 HydrophobicContact CG-CD2 4.12Å; F690-L715 HydrophobicContact CG-CG 4.22Å; F690-L715 HydrophobicContact CZ-CD1 3.47Å; F690-L715 VanDerWaalsContact CZ-CD1 3.47Å; F690-L715 HydrophobicContact CZ-CG 4.36Å
691	E	91.8	Very high	88.4	Confident	49 Å²	49	74.5 Å²	74.5	23%	0.229	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-37.5	-176.3	-175.3	54.5	-149	0	0	111.8	Y687 Q688 Y694 S695	Y687-E691 WeakPolarHBondContact O-CB 3.2Å; Y687-E691 PolarHBondContact O-N 3.24Å; Q688-E691 PolarHBondContact O-N 3.04Å; E691-Y694 PolarHBondContact O-N 2.81Å; E691-S695 VanDerWaalsContact O-CB 3.24Å; E691-S695 WeakPolarHBondContact O-CB 3.49Å; E691-S695 PolarHBondContact O-N 3.15Å; E691-S695 PolarHBondContact O-OG 2.86Å; E691-S695 PolarHBondContact OE1-OG 2.93Å
692	S	91.3	Very high	87.8	Confident	77 Å²	77	77.8 Å²	77.8	54%	0.538	40%	0.396	S	S	.	.	H	α-helix	trans	-60.6	-51.4	173.6	-173.3	0	0	0	0	111.8	Q688 D689 F690 Y694 S695 Q696	Q688-S692 WeakPolarHBondContact O-CB 3.38Å; Q688-S692 PolarHBondContact O-N 2.99Å; D689-S692 PolarHBondContact O-N 2.97Å; F690-S692 VanDerWaalsContact C-N 3.3Å; F690-S692 PolarHBondContact O-N 2.93Å; S692-Y694 VanDerWaalsContact C-N 3.33Å; S692-Y694 PolarHBondContact O-N 3.14Å; S692-S695 PolarHBondContact O-N 3.3Å; S692-Q696 WeakPolarHBondContact O-CB 3.25Å; S692-Q696 PolarHBondContact O-N 3.28Å
693	R	91.4	Very high	87.1	Confident	86 Å²	86	82.4 Å²	82.4	33%	0.325	42%	0.42	S	S	.	.	H	α-helix	trans	-63	-39.7	178.1	-71.5	-170.6	-76.6	124.8	-3.7	112	D689 F690 Q696 A697 V711 S714	D689-R693 PolarHBondContact O-N 2.82Å; D689-R693 VanDerWaalsContact O-N 3.14Å; D689-R693 IonicContact OD1-NE 2.73Å; D689-R693 IonicContact OD2-CZ 3.95Å; D689-R693 VanDerWaalsContact OD2-CZ 3.27Å; D689-R693 IonicContact OD2-NE 3.33Å; D689-R693 PolarHBondContact OD2-NE 2.92Å; D689-R693 IonicContact OD2-NH2 2.83Å; D689-R693 PolarHBondContact OD2-NH2 3.48Å; F690-R693 PolarHBondContact O-N 3.38Å; R693-Q696 PolarHBondContact O-N 2.77Å; R693-A697 WeakPolarHBondContact O-CB 3.5Å; R693-A697 PolarHBondContact O-N 3.39Å; R693-V711 HydrophobicContact CB-CG1 4.02Å; R693-V711 HydrophobicContact CB-CG2 4.27Å; R693-S714 PolarHBondContact NH1-OG 3.34Å; R693-S714 VanDerWaalsContact NH1-OG 3.09Å
694	Y	88.5	Confident	86.5	Confident	15 Å²	15	87.1 Å²	87.1	6%	0.059	43%	0.43	C	S	.	.	H	α-helix	trans	-69	-43.8	-179.1	-176.7	-114.1	0	0	0	112.1	Q616 F618 F690 E691 S692 A697 K698 V708 V711 V712	Q616-Y694 VanDerWaalsContact CD-CE1 3.43Å; Q616-Y694 HydrophobicContact CG-CE1 3.95Å; Q616-Y694 PolarHBondContact NE2-OH 3.3Å; F618-Y694 AromaticContact CE1-CE2 3.97Å; F618-Y694 HydrophobicContact CE1-CE2 3.97Å; F618-Y694 AromaticContact CE1-CZ 3.96Å; F690-Y694 HydrophobicContact CE1-CD1 4.44Å; F690-Y694 HydrophobicContact CE1-CG 4.18Å; F690-Y694 AromaticContact CZ-CD2 3.97Å; F690-Y694 HydrophobicContact CZ-CD2 3.97Å; F690-Y694 AromaticContact CZ-CG 3.95Å; F690-Y694 HydrophobicContact CZ-CG 3.95Å; F690-Y694 VanDerWaalsContact O-CB 3.22Å; F690-Y694 WeakPolarHBondContact O-CB 3.45Å; F690-Y694 PolarHBondContact O-N 2.79Å; E691-Y694 PolarHBondContact O-N 2.81Å; S692-Y694 VanDerWaalsContact C-N 3.33Å; S692-Y694 PolarHBondContact O-N 3.14Å; Y694-A697 PolarHBondContact O-N 3.11Å; Y694-K698 HydrophobicContact CD1-CD 4.39Å; Y694-K698 HydrophobicContact CE1-CD 4.02Å; Y694-K698 PolarHBondContact O-N 2.99Å; Y694-K698 VanDerWaalsContact OH-CE 3.29Å; Y694-K698 WeakPolarHBondContact OH-CE 3.36Å; Y694-K698 PolarHBondContact OH-NZ 2.98Å; Y694-V708 HydrophobicContact CD2-CG1 4.45Å; Y694-V708 HydrophobicContact CE2-CG1 3.79Å; Y694-V711 HydrophobicContact CD2-CG1 4.39Å; Y694-V712 HydrophobicContact CD2-CG2 4.34Å; Y694-V712 HydrophobicContact CE2-CG2 3.95Å
695	S	86.6	Confident	86	Confident	48 Å²	48	89 Å²	89	34%	0.336	45%	0.447	S	S	.	.	H	α-helix	trans	-60.9	-43.6	172.8	-77.7	0	0	0	0	112	E691 S692 A697 K698 L699	E691-S695 VanDerWaalsContact O-CB 3.24Å; E691-S695 WeakPolarHBondContact O-CB 3.49Å; E691-S695 PolarHBondContact O-N 3.15Å; E691-S695 PolarHBondContact O-OG 2.86Å; E691-S695 PolarHBondContact OE1-OG 2.93Å; S692-S695 PolarHBondContact O-N 3.3Å; S695-A697 VanDerWaalsContact C-N 3.33Å; S695-A697 PolarHBondContact O-N 2.82Å; S695-K698 PolarHBondContact O-N 3.37Å; S695-L699 WeakPolarHBondContact O-CG 3.37Å; S695-L699 PolarHBondContact O-N 2.99Å; S695-L699 VanDerWaalsContact O-N 3.16Å
696	Q	86.8	Confident	85.6	Confident	145 Å²	145	87.2 Å²	87.2	68%	0.678	44%	0.442	S	S	*	.	H	α-helix	trans	-61.9	-39.8	175.5	-168.9	-178.7	17.9	0	0	112.3	S692 R693 L699 S700	S692-Q696 WeakPolarHBondContact O-CB 3.25Å; S692-Q696 PolarHBondContact O-N 3.28Å; R693-Q696 PolarHBondContact O-N 2.77Å; Q696-L699 PolarHBondContact O-N 2.76Å; Q696-S700 PolarHBondContact O-N 3.22Å
697	A	84.1	Confident	85.3	Confident	7 Å²	7	86.8 Å²	86.8	6%	0.058	44%	0.439	C	S	.	.	H	α-helix	trans	-65.7	-40.8	176.7	0	0	0	0	0	112.4	R693 Y694 S695 L699 S700 K707 V708 V711	R693-A697 WeakPolarHBondContact O-CB 3.5Å; R693-A697 PolarHBondContact O-N 3.39Å; Y694-A697 PolarHBondContact O-N 3.11Å; S695-A697 VanDerWaalsContact C-N 3.33Å; S695-A697 PolarHBondContact O-N 2.82Å; A697-L699 VanDerWaalsContact C-N 3.33Å; A697-L699 PolarHBondContact O-N 3.33Å; A697-S700 WeakPolarHBondContact O-CB 3.46Å; A697-S700 PolarHBondContact O-N 2.84Å; A697-K707 HydrophobicContact CB-CB 4.01Å; A697-V708 HydrophobicContact CB-CG2 3.86Å; A697-V711 HydrophobicContact CB-CG2 4.2Å
698	K	77.6	Confident	84.9	Confident	91 Å²	91	87 Å²	87	40%	0.396	44%	0.443	S	S	.	.	H	α-helix	trans	-64.2	-34.1	177	-81.8	-178.8	170.3	172.5	0	113.6	Y694 S695 S700 R704 V708	Y694-K698 HydrophobicContact CD1-CD 4.39Å; Y694-K698 HydrophobicContact CE1-CD 4.02Å; Y694-K698 PolarHBondContact O-N 2.99Å; Y694-K698 VanDerWaalsContact OH-CE 3.29Å; Y694-K698 WeakPolarHBondContact OH-CE 3.36Å; Y694-K698 PolarHBondContact OH-NZ 2.98Å; S695-K698 PolarHBondContact O-N 3.37Å; K698-S700 VanDerWaalsContact C-N 3.27Å; K698-S700 PolarHBondContact O-N 3.48Å; K698-R704 VanDerWaalsContact O-CD 3.3Å; K698-R704 WeakPolarHBondContact O-CD 3.46Å; K698-V708 HydrophobicContact CG-CG2 4.16Å
699	L	79	Confident	84.6	Confident	149 Å²	149	84.4 Å²	84.4	78%	0.78	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.5	179.3	-67.7	171	0	0	0	113.4	S695 Q696 A697 L701	S695-L699 WeakPolarHBondContact O-CG 3.37Å; S695-L699 PolarHBondContact O-N 2.99Å; S695-L699 VanDerWaalsContact O-N 3.16Å; Q696-L699 PolarHBondContact O-N 2.76Å; A697-L699 VanDerWaalsContact C-N 3.33Å; A697-L699 PolarHBondContact O-N 3.33Å; L699-L701 PolarHBondContact O-N 2.77Å
700	S	78.4	Confident	84.4	Confident	23 Å²	23	83.2 Å²	83.2	16%	0.161	44%	0.442	C	S	.	.			trans	-69.1	127.9	179.6	-171	0	0	0	0	111.8	Q696 A697 K698 L702 R704 K707	Q696-S700 PolarHBondContact O-N 3.22Å; A697-S700 WeakPolarHBondContact O-CB 3.46Å; A697-S700 PolarHBondContact O-N 2.84Å; K698-S700 VanDerWaalsContact C-N 3.27Å; K698-S700 PolarHBondContact O-N 3.48Å; S700-L702 PolarHBondContact OG-O 3.06Å; S700-R704 WeakPolarHBondContact O-CB 3.27Å; S700-K707 PolarHBondContact OG-NZ 3.21Å
701	L	72.9	Confident	84.3	Confident	177 Å²	177	84.1 Å²	84.1	93%	0.927	45%	0.447	S	S	*	.	S	Bend	trans	-78.6	-26.8	174.6	-67.9	169.1	0	0	0	113	L699	L699-L701 PolarHBondContact O-N 2.77Å
702	L	80.4	Confident	84.2	Confident	131 Å²	131	82.6 Å²	82.6	69%	0.686	44%	0.441	S	S	*	.	S	Bend	trans	-105.3	133.7	178.1	-63.5	169.2	0	0	0	110.1	S700 R704	S700-L702 PolarHBondContact OG-O 3.06Å; L702-R704 PolarHBondContact O-N 3.44Å; L702-R704 VanDerWaalsContact O-N 3.11Å
703	D	79.1	Confident	84	Confident	113 Å²	113	83.3 Å²	83.3	60%	0.604	44%	0.436	S	S	*	.	S	Bend	trans	49.4	36.3	175.2	-57.7	-36.2	0	0	0	115.1	T705 L706 K707	D703-T705 VanDerWaalsContact C-N 3.27Å; D703-T705 PolarHBondContact O-N 2.95Å; D703-L706 HydrophobicContact CB-CB 4.47Å; D703-L706 HydrophobicContact CB-CD1 4.36Å; D703-L706 PolarHBondContact O-N 2.7Å; D703-K707 PolarHBondContact O-N 3.02Å; D703-K707 VanDerWaalsContact O-N 3.07Å
704	R	80.3	Confident	83.9	Confident	152 Å²	152	81.3 Å²	81.3	57%	0.574	44%	0.436	S	S	*	.	H	α-helix	trans	-49.2	-48.7	-178.5	-173.3	176.6	64	178.7	-1.4	112.1	K698 S700 L702 L706 K707 V708	K698-R704 VanDerWaalsContact O-CD 3.3Å; K698-R704 WeakPolarHBondContact O-CD 3.46Å; S700-R704 WeakPolarHBondContact O-CB 3.27Å; L702-R704 PolarHBondContact O-N 3.44Å; L702-R704 VanDerWaalsContact O-N 3.11Å; R704-L706 PolarHBondContact O-N 2.66Å; R704-K707 PolarHBondContact O-N 2.94Å; R704-V708 HydrophobicContact CG-CG2 4.35Å; R704-V708 WeakPolarHBondContact O-CB 3.45Å; R704-V708 VanDerWaalsContact O-CG2 3.22Å; R704-V708 WeakPolarHBondContact O-CG2 3.07Å; R704-V708 PolarHBondContact O-N 3.34Å
705	T	80.1	Confident	83.9	Confident	118 Å²	118	81.1 Å²	81.1	72%	0.724	44%	0.436	S	S	*	.	H	α-helix	trans	-61.8	-43.1	-175.5	-32.1	0	0	0	0	112	D703 A709	D703-T705 VanDerWaalsContact C-N 3.27Å; D703-T705 PolarHBondContact O-N 2.95Å; T705-A709 WeakPolarHBondContact O-CB 3.14Å; T705-A709 PolarHBondContact O-N 3.18Å
706	L	85.3	Confident	84	Confident	122 Å²	122	79.7 Å²	79.7	64%	0.639	42%	0.424	S	S	*	.	H	α-helix	trans	-69.8	-43.9	179.8	-68.2	172.5	0	0	0	111.9	D703 R704 V708 A709 A710	D703-L706 HydrophobicContact CB-CB 4.47Å; D703-L706 HydrophobicContact CB-CD1 4.36Å; D703-L706 PolarHBondContact O-N 2.7Å; R704-L706 PolarHBondContact O-N 2.66Å; L706-V708 PolarHBondContact O-N 3.18Å; L706-A709 PolarHBondContact O-N 2.89Å; L706-A710 PolarHBondContact O-N 2.96Å
707	K	85.7	Confident	84.1	Confident	97 Å²	97	80 Å²	80	42%	0.422	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-42.4	177.8	-69.4	-178.6	-175.5	177	0	111.9	A697 S700 D703 R704 A710 V711	A697-K707 HydrophobicContact CB-CB 4.01Å; S700-K707 PolarHBondContact OG-NZ 3.21Å; D703-K707 PolarHBondContact O-N 3.02Å; D703-K707 VanDerWaalsContact O-N 3.07Å; R704-K707 PolarHBondContact O-N 2.94Å; K707-A710 PolarHBondContact O-N 3.36Å; K707-V711 WeakPolarHBondContact O-CG2 3.43Å; K707-V711 PolarHBondContact O-N 3.17Å; K707-V711 VanDerWaalsContact O-N 3.15Å
708	V	84.7	Confident	84.2	Confident	30 Å²	30	86.9 Å²	86.9	18%	0.182	45%	0.45	C	S	.	.	H	α-helix	trans	-62.3	-46.6	176.2	170.1	0	0	0	0	110.3	Y694 A697 K698 R704 L706 A710 V711 V712	Y694-V708 HydrophobicContact CD2-CG1 4.45Å; Y694-V708 HydrophobicContact CE2-CG1 3.79Å; A697-V708 HydrophobicContact CB-CG2 3.86Å; K698-V708 HydrophobicContact CG-CG2 4.16Å; R704-V708 HydrophobicContact CG-CG2 4.35Å; R704-V708 WeakPolarHBondContact O-CB 3.45Å; R704-V708 VanDerWaalsContact O-CG2 3.22Å; R704-V708 WeakPolarHBondContact O-CG2 3.07Å; R704-V708 PolarHBondContact O-N 3.34Å; L706-V708 PolarHBondContact O-N 3.18Å; V708-A710 PolarHBondContact O-N 3.23Å; V708-V711 PolarHBondContact O-N 3.5Å; V708-V712 HydrophobicContact CG1-CG2 4.5Å; V708-V712 WeakPolarHBondContact O-CG2 3.44Å; V708-V712 PolarHBondContact O-N 2.98Å
709	A	86.1	Confident	85	Confident	56 Å²	56	82.6 Å²	82.6	46%	0.463	43%	0.431	S	S	.	.	H	α-helix	trans	-58.7	-44.4	177.8	0	0	0	0	0	112.5	T705 L706 V711 V712 E713	T705-A709 WeakPolarHBondContact O-CB 3.14Å; T705-A709 PolarHBondContact O-N 3.18Å; L706-A709 PolarHBondContact O-N 2.89Å; A709-V711 PolarHBondContact O-N 2.87Å; A709-V712 PolarHBondContact O-N 3.14Å; A709-E713 WeakPolarHBondContact O-CB 3.28Å; A709-E713 PolarHBondContact O-N 3.49Å
710	A	88.5	Confident	85.7	Confident	60 Å²	60	79.6 Å²	79.6	50%	0.496	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-38.1	179	0	0	0	0	0	113.2	L706 K707 V708 S714	L706-A710 PolarHBondContact O-N 2.96Å; K707-A710 PolarHBondContact O-N 3.36Å; V708-A710 PolarHBondContact O-N 3.23Å; A710-S714 PolarHBondContact O-N 3.5Å
711	V	90.9	Very high	86.4	Confident	20 Å²	20	79.5 Å²	79.5	12%	0.121	41%	0.41	C	S	.	.	H	α-helix	trans	-67.7	-41.8	175.8	175.5	0	0	0	0	110.7	F690 R693 Y694 A697 K707 V708 A709 S714	F690-V711 HydrophobicContact CD2-CG1 3.95Å; F690-V711 HydrophobicContact CE2-CG1 3.67Å; F690-V711 HydrophobicContact CZ-CG1 4.49Å; R693-V711 HydrophobicContact CB-CG1 4.02Å; R693-V711 HydrophobicContact CB-CG2 4.27Å; Y694-V711 HydrophobicContact CD2-CG1 4.39Å; A697-V711 HydrophobicContact CB-CG2 4.2Å; K707-V711 WeakPolarHBondContact O-CG2 3.43Å; K707-V711 PolarHBondContact O-N 3.17Å; K707-V711 VanDerWaalsContact O-N 3.15Å; V708-V711 PolarHBondContact O-N 3.5Å; A709-V711 PolarHBondContact O-N 2.87Å; V711-S714 WeakPolarHBondContact O-CB 3.37Å; V711-S714 PolarHBondContact O-N 3.06Å; V711-S714 PolarHBondContact O-OG 2.97Å
712	V	89.8	Confident	87.3	Confident	17 Å²	17	71.8 Å²	71.8	10%	0.103	37%	0.37	C	S	.	.	H	α-helix	trans	-62.7	-45	176.3	175.4	0	0	0	0	110.9	F618 Y694 V708 A709 S714 L715 E716	F618-V712 HydrophobicContact CD1-CG1 4.17Å; F618-V712 HydrophobicContact CD1-CG2 3.81Å; F618-V712 HydrophobicContact CE1-CG1 4.4Å; F618-V712 HydrophobicContact CE1-CG2 3.63Å; F618-V712 HydrophobicContact CG-CG1 4.47Å; F618-V712 HydrophobicContact CZ-CG2 4.5Å; Y694-V712 HydrophobicContact CD2-CG2 4.34Å; Y694-V712 HydrophobicContact CE2-CG2 3.95Å; V708-V712 HydrophobicContact CG1-CG2 4.5Å; V708-V712 WeakPolarHBondContact O-CG2 3.44Å; V708-V712 PolarHBondContact O-N 2.98Å; A709-V712 PolarHBondContact O-N 3.14Å; V712-S714 PolarHBondContact O-N 3.48Å; V712-S714 VanDerWaalsContact O-N 3.08Å; V712-L715 WeakPolarHBondContact O-CB 3.46Å; V712-L715 PolarHBondContact O-N 3.48Å; V712-E716 HydrophobicContact CG1-CG 4.39Å; V712-E716 WeakPolarHBondContact O-CG 3.37Å
713	E	88.4	Confident	88	Confident	93 Å²	93	65.6 Å²	65.6	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-28	178.3	-161.5	-162.4	133.9	0	0	112.7	A709 L715 E716 R717	A709-E713 WeakPolarHBondContact O-CB 3.28Å; A709-E713 PolarHBondContact O-N 3.49Å; E713-L715 PolarHBondContact O-N 3.38Å; E713-E716 PolarHBondContact O-N 3.5Å; E713-E716 VanDerWaalsContact O-N 3.11Å; E713-R717 IonicContact OE1-NH2 3.43Å; E713-R717 PolarHBondContact OE1-NH2 2.88Å; E713-R717 VanDerWaalsContact OE1-NH2 3.12Å
714	S	88.4	Confident	88.6	Confident	44 Å²	44	60.2 Å²	60.2	31%	0.308	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.5	175.7	77.4	0	0	0	0	113.8	R693 A710 V711 V712	R693-S714 PolarHBondContact NH1-OG 3.34Å; R693-S714 VanDerWaalsContact NH1-OG 3.09Å; A710-S714 PolarHBondContact O-N 3.5Å; V711-S714 WeakPolarHBondContact O-CB 3.37Å; V711-S714 PolarHBondContact O-N 3.06Å; V711-S714 PolarHBondContact O-OG 2.97Å; V712-S714 PolarHBondContact O-N 3.48Å; V712-S714 VanDerWaalsContact O-N 3.08Å
715	L	88.8	Confident	89.3	Confident	11 Å²	11	53 Å²	53	6%	0.058	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-32.7	171.8	-67.5	178.2	0	0	0	112.1	F618 I630 F641 K680 L682 F690 V712 E713 R717	F618-L715 HydrophobicContact CE2-CD1 4.31Å; F618-L715 HydrophobicContact CZ-CD1 4.21Å; I630-L715 HydrophobicContact CD1-CD1 3.97Å; F641-L715 HydrophobicContact CD1-CB 4.28Å; F641-L715 HydrophobicContact CE1-CB 3.9Å; F641-L715 HydrophobicContact CZ-CB 4.41Å; K680-L715 PolarHBondContact NZ-O 3.47Å; K680-L715 VanDerWaalsContact NZ-O 3.1Å; L682-L715 HydrophobicContact CD1-CD2 4.45Å; L682-L715 HydrophobicContact CD2-CD2 4.33Å; F690-L715 HydrophobicContact CB-CD2 4.44Å; F690-L715 HydrophobicContact CD1-CD1 4.13Å; F690-L715 HydrophobicContact CD2-CD1 3.49Å; F690-L715 VanDerWaalsContact CD2-CD1 3.49Å; F690-L715 HydrophobicContact CD2-CD2 3.83Å; F690-L715 HydrophobicContact CD2-CG 3.53Å; F690-L715 HydrophobicContact CE1-CD1 3.92Å; F690-L715 HydrophobicContact CE2-CD1 3.21Å; F690-L715 HydrophobicContact CE2-CD2 4.38Å; F690-L715 HydrophobicContact CE2-CG 3.6Å; F690-L715 HydrophobicContact CG-CD1 3.94Å; F690-L715 HydrophobicContact CG-CD2 4.12Å; F690-L715 HydrophobicContact CG-CG 4.22Å; F690-L715 HydrophobicContact CZ-CD1 3.47Å; F690-L715 VanDerWaalsContact CZ-CD1 3.47Å; F690-L715 HydrophobicContact CZ-CG 4.36Å; V712-L715 WeakPolarHBondContact O-CB 3.46Å; V712-L715 PolarHBondContact O-N 3.48Å; E713-L715 PolarHBondContact O-N 3.38Å; L715-R717 PolarHBondContact O-N 3.08Å
716	E	89.7	Confident	89.8	Confident	18 Å²	18	47.3 Å²	47.3	8%	0.084	25%	0.247	C	C	.	.	S	Bend	trans	-81.9	38.9	-170.2	-55	-178.3	146.3	0	0	113.9	R626 M643 I653 V712 E713	R626-E716 IonicContact CZ-OE1 3.27Å; R626-E716 IonicContact CZ-OE2 3.53Å; R626-E716 VanDerWaalsContact CZ-OE2 3.31Å; R626-E716 VanDerWaalsContact NE-CD 3.27Å; R626-E716 IonicContact NE-OE1 2.92Å; R626-E716 PolarHBondContact NE-OE1 3.27Å; R626-E716 IonicContact NE-OE2 2.97Å; R626-E716 PolarHBondContact NE-OE2 2.78Å; R626-E716 IonicContact NH2-OE1 2.76Å; R626-E716 IonicContact NH2-OE2 3.98Å; R626-E716 PolarHBondContact NH2-OE2 3.11Å; M643-E716 HydrophobicContact CE-CB 4.45Å; M643-E716 HydrophobicContact CE-CG 3.59Å; M643-E716 WeakPolarHBondContact CE-OE1 3.4Å; I653-E716 HydrophobicContact CD1-CB 4.42Å; I653-E716 HydrophobicContact CG2-CB 4.35Å; I653-E716 WeakPolarHBondContact CG2-O 3.29Å; V712-E716 HydrophobicContact CG1-CG 4.39Å; V712-E716 WeakPolarHBondContact O-CG 3.37Å; E713-E716 PolarHBondContact O-N 3.5Å; E713-E716 VanDerWaalsContact O-N 3.11Å
717	R	87.2	Confident	90.1	Very high	150 Å²	150	41.6 Å²	41.6	57%	0.566	22%	0.217	S	C	*	.	S	Bend	trans	-125.3	137.3	178.3	-63.8	-174.6	-179.7	-175.6	-1.3	111.4	K680 E713 L715 M719	K680-R717 PolarHBondContact NZ-O 3.04Å; E713-R717 IonicContact OE1-NH2 3.43Å; E713-R717 PolarHBondContact OE1-NH2 2.88Å; E713-R717 VanDerWaalsContact OE1-NH2 3.12Å; L715-R717 PolarHBondContact O-N 3.08Å; R717-M719 VanDerWaalsContact C-N 3.31Å; R717-M719 PolarHBondContact O-N 2.57Å
718	E	87.9	Confident	90.2	Very high	153 Å²	153	39 Å²	39	72%	0.715	21%	0.206	S	C	*	.	S	Bend	trans	56.2	40.3	174.3	-58.8	-179.4	164.6	0	0	113.8	I653 Q655	I653-E718 PolarHBondContact O-N 2.81Å; Q655-E718 HydrophobicContact CG-CB 4.37Å; Q655-E718 PolarHBondContact NE2-O 2.93Å
719	M	93.1	Very high	90.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-69.7	144.2	-179.6	-64.1	-104.3	-64.2	0	0	111.5	F641 M643 I653 V654 Q655 A678 K680 R717 L721	F641-M719 HydrophobicContact CD1-CE 4.13Å; F641-M719 HydrophobicContact CD1-SD 3.58Å; F641-M719 VanDerWaalsContact CD1-SD 3.58Å; F641-M719 HydrophobicContact CE1-CE 4.09Å; F641-M719 HydrophobicContact CE1-SD 3.76Å; M643-M719 HydrophobicContact CB-CE 3.26Å; M643-M719 HydrophobicContact CE-CE 4.47Å; M643-M719 HydrophobicContact CG-CE 4.28Å; M643-M719 HydrophobicContact SD-CE 4.2Å; I653-M719 HydrophobicContact CG2-CB 4.17Å; I653-M719 HydrophobicContact CG2-CG 3.7Å; I653-M719 PolarHBondContact O-N 3.15Å; V654-M719 WeakPolarHBondContact CA-O 2.99Å; Q655-M719 PolarHBondContact N-O 2.96Å; A678-M719 HydrophobicContact CB-CB 3.97Å; A678-M719 HydrophobicContact CB-CE 3.91Å; K680-M719 HydrophobicContact CB-SD 3.58Å; K680-M719 VanDerWaalsContact CB-SD 3.58Å; K680-M719 HydrophobicContact CD-SD 4.11Å; R717-M719 VanDerWaalsContact C-N 3.31Å; R717-M719 PolarHBondContact O-N 2.57Å; M719-L721 PolarHBondContact O-N 3.35Å
720	E	93.1	Very high	90.5	Very high	86 Å²	86	37.8 Å²	37.8	40%	0.402	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.7	176.4	-174.9	-176.8	-179.6	0	0	110	A678 K679 L722	A678-E720 CarbonylContact C-O 3.51Å; A678-E720 WeakPolarHBondContact CA-O 3.21Å; A678-E720 VanDerWaalsContact CB-O 3.26Å; A678-E720 WeakPolarHBondContact CB-O 3.4Å; K679-E720 WeakPolarHBondContact CE-OE2 3.23Å; K679-E720 HydrophobicContact CG-CB 4.3Å; K679-E720 PolarHBondContact N-O 3.36Å; K679-E720 IonicContact NZ-OE2 2.62Å; K679-E720 PolarHBondContact O-N 3Å; E720-L722 PolarHBondContact O-N 2.8Å
721	L	93.7	Very high	90.6	Very high	21 Å²	21	36 Å²	36	11%	0.11	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.9	175.6	176.3	63.5	0	0	0	110.4	V654 N657 W659 L660 V676 M719	V654-L721 HydrophobicContact CB-CB 4.36Å; V654-L721 HydrophobicContact CG1-CD1 4.49Å; N657-L721 HydrophobicContact CB-CD2 4.05Å; N657-L721 WeakPolarHBondContact ND2-CD2 3.44Å; W659-L721 HydrophobicContact CH2-CD2 3.96Å; W659-L721 HydrophobicContact CZ2-CD2 3.45Å; W659-L721 VanDerWaalsContact CZ2-CD2 3.45Å; W659-L721 HydrophobicContact CZ2-CG 4.23Å; L660-L721 HydrophobicContact CB-CD2 4.43Å; L660-L721 HydrophobicContact CD1-CD2 4.23Å; L660-L721 HydrophobicContact CD2-CD2 4.31Å; V676-L721 HydrophobicContact CG1-CD1 3.34Å; M719-L721 PolarHBondContact O-N 3.35Å
722	L	93.1	Very high	90.6	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-55.8	177.9	-67.4	-179.7	0	0	0	112	E531 A535 Y642 V677 K679 E720	E531-L722 HydrophobicContact CB-CD2 4.42Å; A535-L722 HydrophobicContact CB-CD1 3.47Å; A535-L722 VanDerWaalsContact CB-CD1 3.47Å; Y642-L722 HydrophobicContact CE1-CD1 4.42Å; V677-L722 PolarHBondContact O-N 2.83Å; K679-L722 HydrophobicContact CB-CD1 3.88Å; K679-L722 HydrophobicContact CB-CG 4.34Å; K679-L722 HydrophobicContact CD-CD1 4.01Å; K679-L722 HydrophobicContact CD-CD2 3.83Å; K679-L722 HydrophobicContact CD-CG 4.27Å; K679-L722 HydrophobicContact CG-CD1 3.89Å; K679-L722 HydrophobicContact CG-CD2 3.9Å; K679-L722 HydrophobicContact CG-CG 3.94Å; E720-L722 PolarHBondContact O-N 2.8Å
723	C	93.4	Very high	90.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	161.3	-174.8	69.7	0	0	0	0	112.9	L470 H471 L472 A532 V677	L470-C723 HydrophobicContact CD1-CB 3.77Å; H471-C723 CarbonylContact O-C 3.46Å; H471-C723 VanDerWaalsContact O-CA 3.29Å; H471-C723 WeakPolarHBondContact O-CA 3.24Å; L472-C723 HydrophobicContact CD2-CB 3.46Å; L472-C723 VanDerWaalsContact CD2-CB 3.46Å; A532-C723 HydrophobicContact CB-CB 3.95Å; V677-C723 PolarHBondContact N-O 3.19Å; V677-C723 PolarHBondContact O-N 3.31Å
724	L	93.5	Very high	90.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.9	166.9	170.5	67.7	0	0	0	108	H471 W659 E663 C664 M667 T674 V676	H471-L724 HydrophobicContact CB-CB 4.2Å; H471-L724 PolarHBondContact N-O 2.83Å; H471-L724 PolarHBondContact O-N 3.22Å; W659-L724 HydrophobicContact CH2-CB 4.33Å; W659-L724 HydrophobicContact CZ3-CB 4.15Å; W659-L724 HydrophobicContact CZ3-CD2 4.41Å; E663-L724 HydrophobicContact CB-CD2 4.08Å; C664-L724 VanDerWaalsContact SG-CD1 3.55Å; M667-L724 HydrophobicContact CE-CD2 3.81Å; M667-L724 HydrophobicContact CE-CG 4.06Å; M667-L724 HydrophobicContact SD-CD2 3.77Å; M667-L724 HydrophobicContact SD-CG 3.89Å; T674-L724 HydrophobicContact CG2-CD1 4.22Å; V676-L724 HydrophobicContact CG2-CD1 4.01Å
725	T	93.3	Very high	91.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.7	178.6	63	0	0	0	0	110.8	F467 R469 L470 V536 L581 T674 L675 V677	F467-T725 HydrophobicContact CE2-CG2 3.77Å; F467-T725 HydrophobicContact CZ-CG2 4.23Å; R469-T725 CarbonylContact O-C 3.57Å; R469-T725 WeakPolarHBondContact O-CA 3.35Å; L470-T725 HydrophobicContact CD1-CG2 3.92Å; V536-T725 HydrophobicContact CG2-CG2 4.34Å; L581-T725 HydrophobicContact CD2-CG2 4.23Å; T674-T725 WeakPolarHBondContact CA-O 3.29Å; L675-T725 WeakPolarHBondContact CB-OG1 3.42Å; L675-T725 PolarHBondContact N-O 3.49Å; L675-T725 PolarHBondContact O-N 2.87Å; L675-T725 PolarHBondContact O-OG1 2.91Å; L675-T725 VanDerWaalsContact O-OG1 3.12Å; V677-T725 HydrophobicContact CG2-CG2 4.37Å
726	G	91.8	Very high	91.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.7	177.6	0	0	0	0	0	110.9	K468 R469 R673	K468-G726 PolarHBondContact N-O 3.24Å; R469-G726 PolarHBondContact N-O 3.27Å; R469-G726 VanDerWaalsContact N-O 3.13Å; R469-G726 PolarHBondContact O-N 3.38Å; R673-G726 WeakPolarHBondContact O-CA 3.38Å
727	V	90.4	Very high	91.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.4	178.5	-178.4	0	0	0	0	109.6	M465 F467 A580 L581 R673	M465-V727 HydrophobicContact CB-CG1 3.89Å; F467-V727 HydrophobicContact CD2-CG2 4.44Å; A580-V727 HydrophobicContact CB-CG1 4.26Å; L581-V727 HydrophobicContact CD2-CG2 4.47Å; R673-V727 WeakPolarHBondContact CB-O 3.45Å; R673-V727 PolarHBondContact N-O 2.79Å; R673-V727 PolarHBondContact O-N 2.69Å
728	E	88.8	Confident	92	Very high	43 Å²	43	34.8 Å²	34.8	20%	0.201	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.7	175.7	-172.9	178	-161.5	0	0	110.5	M465 V466 K468 L672	M465-E728 WeakPolarHBondContact CA-O 3.3Å; V466-E728 PolarHBondContact N-O 3.2Å; V466-E728 PolarHBondContact O-N 2.69Å; K468-E728 WeakPolarHBondContact CE-OE2 3.45Å; K468-E728 HydrophobicContact CG-CB 3.58Å; L672-E728 HydrophobicContact CD2-CB 3.72Å; L672-E728 HydrophobicContact CD2-CG 4.3Å
729	D	87.6	Confident	92.4	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	104.8	166.4	-177	-2.4	0	0	0	107.7	K456 T461 M465 R673 L731 I763	K456-D729 IonicContact NZ-OD2 3.24Å; K456-D729 PolarHBondContact NZ-OD2 2.94Å; T461-D729 WeakPolarHBondContact CB-OD1 3.33Å; T461-D729 PolarHBondContact OG1-OD1 3.38Å; M465-D729 HydrophobicContact CE-CB 4.01Å; M465-D729 HydrophobicContact SD-CB 3.54Å; M465-D729 VanDerWaalsContact SD-CB 3.54Å; R673-D729 IonicContact NH2-OD2 2.7Å; R673-D729 PolarHBondContact NH2-OD2 3.49Å; D729-L731 PolarHBondContact O-N 3.44Å; D729-I763 HydrophobicContact CB-CD1 4Å
730	Q	88.4	Confident	92.4	Very high	58 Å²	58	31.6 Å²	31.6	27%	0.271	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.1	-169.8	-73.8	-162.3	21.7	0	0	112.3	T461 Q462 E464 V466	T461-Q730 CarbonylContact C-O 3.56Å; T461-Q730 VanDerWaalsContact CA-O 3.27Å; T461-Q730 WeakPolarHBondContact CA-O 3.35Å; T461-Q730 WeakPolarHBondContact CB-O 3.41Å; Q462-Q730 PolarHBondContact N-O 3.03Å; E464-Q730 PolarHBondContact O-N 3.22Å; V466-Q730 HydrophobicContact CG2-CG 4.2Å
731	L	91.4	Very high	92.4	Very high	21 Å²	21	29 Å²	29	11%	0.11	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	154.3	171	-60.6	175.4	0	0	0	111.2	L460 T461 Q462 D729 V735 R736 I763 S766	L460-L731 CarbonylContact O-C 3.59Å; L460-L731 WeakPolarHBondContact O-CA 3.2Å; T461-L731 HydrophobicContact CG2-CD2 4.22Å; Q462-L731 PolarHBondContact NE2-O 3Å; D729-L731 PolarHBondContact O-N 3.44Å; L731-V735 HydrophobicContact CB-CB 4.44Å; L731-R736 HydrophobicContact CD1-CG 4.09Å; L731-I763 HydrophobicContact CD2-CG2 4.27Å; L731-S766 WeakPolarHBondContact CD1-O 3.09Å
732	Q	91.4	Very high	92.5	Very high	24 Å²	24	28 Å²	28	11%	0.112	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-63	159.4	166.6	-59.1	-166.2	5.3	0	0	111.2	G458 T459 L460 Q462 D734 V735	G458-Q732 PolarHBondContact O-NE2 3.49Å; T459-Q732 PolarHBondContact O-NE2 3.44Å; T459-Q732 VanDerWaalsContact O-NE2 3.14Å; L460-Q732 PolarHBondContact O-N 3.12Å; Q462-Q732 HydrophobicContact CG-CB 4.26Å; Q462-Q732 HydrophobicContact CG-CG 3.83Å; Q732-D734 PolarHBondContact O-N 3.16Å; Q732-V735 HydrophobicContact CB-CG2 3.61Å; Q732-V735 VanDerWaalsContact O-CG2 3.28Å; Q732-V735 WeakPolarHBondContact O-CG2 3.5Å; Q732-V735 PolarHBondContact O-N 3.08Å
733	A	91	Very high	92.4	Very high	40 Å²	40	32.4 Å²	32.4	33%	0.331	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	133.1	174.7	0	0	0	0	0	111.2	V735	A733-V735 PolarHBondContact O-N 3.29Å; A733-V735 VanDerWaalsContact O-N 3.14Å
734	D	92.8	Very high	92.4	Very high	83 Å²	83	36.2 Å²	36.2	44%	0.444	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	24.3	174.3	-48.8	-47.2	0	0	0	115.8	Q732 P737 T738 R898	Q732-D734 PolarHBondContact O-N 3.16Å; D734-P737 WeakPolarHBondContact O-CD 3.28Å; D734-T738 VanDerWaalsContact O-CB 3.27Å; D734-T738 WeakPolarHBondContact O-CB 3.45Å; D734-T738 PolarHBondContact O-N 3.3Å; D734-T738 VanDerWaalsContact O-N 3.12Å; D734-T738 PolarHBondContact O-OG1 3.25Å; D734-R898 HydrophobicContact CB-CB 3.9Å; D734-R898 WeakPolarHBondContact OD2-CD 3.46Å; D734-R898 IonicContact OD2-NH1 3.86Å; D734-R898 PolarHBondContact OD2-NH1 2.96Å; D734-R898 VanDerWaalsContact OD2-NH1 3.11Å
735	V	94.6	Very high	92.4	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-46.7	175.4	168.7	0	0	0	0	111.7	L460 L731 Q732 A733 T738 L739 F897	L460-V735 HydrophobicContact CD2-CG1 3.72Å; L731-V735 HydrophobicContact CB-CB 4.44Å; Q732-V735 HydrophobicContact CB-CG2 3.61Å; Q732-V735 VanDerWaalsContact O-CG2 3.28Å; Q732-V735 WeakPolarHBondContact O-CG2 3.5Å; Q732-V735 PolarHBondContact O-N 3.08Å; A733-V735 PolarHBondContact O-N 3.29Å; A733-V735 VanDerWaalsContact O-N 3.14Å; V735-T738 PolarHBondContact O-N 3.18Å; V735-L739 HydrophobicContact CG1-CD1 3.76Å; V735-L739 HydrophobicContact CG1-CG 4.22Å; V735-L739 WeakPolarHBondContact O-CG 3.5Å; V735-L739 PolarHBondContact O-N 3.45Å; V735-F897 HydrophobicContact CB-CD1 4.42Å; V735-F897 HydrophobicContact CG1-CD1 4.37Å; V735-F897 HydrophobicContact CG1-CE1 4.44Å; V735-F897 HydrophobicContact CG2-CB 4.18Å; V735-F897 HydrophobicContact CG2-CD1 3.96Å; V735-F897 HydrophobicContact CG2-CG 4.28Å
736	R	93.1	Very high	92.3	Very high	95 Å²	95	37.7 Å²	37.7	36%	0.358	20%	0.197	S	C	.	.	H	α-helix	trans	-61.4	-53.6	-177.6	-51.1	170.4	173.8	166.8	6.1	112	L731 T738 L739 E740 S766	L731-R736 HydrophobicContact CD1-CG 4.09Å; R736-T738 VanDerWaalsContact C-N 3.25Å; R736-T738 PolarHBondContact O-N 3.05Å; R736-L739 PolarHBondContact O-N 3.36Å; R736-E740 WeakPolarHBondContact O-CG 3.37Å; R736-E740 PolarHBondContact O-N 3.38Å; R736-E740 VanDerWaalsContact O-N 3.08Å; R736-S766 PolarHBondContact NE-O 2.93Å; R736-S766 PolarHBondContact NH2-O 2.83Å
737	P	94.8	Very high	92.4	Very high	74 Å²	74	38 Å²	38	48%	0.481	20%	0.199	S	C	.	.	H	α-helix	trans	-59.3	-35.8	175.7	-23.2	34.1	0	0	0	113.1	D734 E740 L741	D734-P737 WeakPolarHBondContact O-CD 3.28Å; P737-E740 PolarHBondContact O-N 3.36Å; P737-L741 WeakPolarHBondContact O-CB 3.48Å; P737-L741 PolarHBondContact O-N 3.32Å
738	T	95.4	Very high	92.5	Very high	10 Å²	10	41.3 Å²	41.3	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-43.9	179.2	-57.5	0	0	0	0	111.5	D734 V735 R736 E740 L741 L742 F897 R898	D734-T738 VanDerWaalsContact O-CB 3.27Å; D734-T738 WeakPolarHBondContact O-CB 3.45Å; D734-T738 PolarHBondContact O-N 3.3Å; D734-T738 VanDerWaalsContact O-N 3.12Å; D734-T738 PolarHBondContact O-OG1 3.25Å; V735-T738 PolarHBondContact O-N 3.18Å; R736-T738 VanDerWaalsContact C-N 3.25Å; R736-T738 PolarHBondContact O-N 3.05Å; T738-E740 VanDerWaalsContact C-N 3.34Å; T738-E740 PolarHBondContact O-N 2.72Å; T738-L741 WeakPolarHBondContact O-CB 3.39Å; T738-L741 PolarHBondContact O-N 3.16Å; T738-L742 HydrophobicContact CG2-CD1 4.13Å; T738-L742 WeakPolarHBondContact O-CG 3.25Å; T738-L742 PolarHBondContact O-N 3.47Å; T738-F897 HydrophobicContact CG2-CD1 4.04Å; T738-F897 HydrophobicContact CG2-CE1 3.81Å; T738-R898 WeakPolarHBondContact OG1-CA 3.31Å
739	L	95	Very high	92.8	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-40.6	176.2	-71.4	174.2	0	0	0	111.8	L460 V735 R736 L742 R743 I749 S767 L769 F897	L460-L739 HydrophobicContact CD2-CD1 4.36Å; L460-L739 HydrophobicContact CD2-CD2 4.49Å; V735-L739 HydrophobicContact CG1-CD1 3.76Å; V735-L739 HydrophobicContact CG1-CG 4.22Å; V735-L739 WeakPolarHBondContact O-CG 3.5Å; V735-L739 PolarHBondContact O-N 3.45Å; R736-L739 PolarHBondContact O-N 3.36Å; L739-L742 PolarHBondContact O-N 3.03Å; L739-R743 WeakPolarHBondContact O-CB 3.19Å; L739-R743 PolarHBondContact O-N 3.34Å; L739-I749 HydrophobicContact CB-CD1 4.46Å; L739-I749 HydrophobicContact CD2-CD1 3.59Å; L739-I749 HydrophobicContact CD2-CG2 4.19Å; L739-S767 WeakPolarHBondContact CD1-O 3.26Å; L739-L769 HydrophobicContact CD1-CB 4.46Å; L739-F897 HydrophobicContact CD2-CE1 3.91Å; L739-F897 HydrophobicContact CD2-CZ 3.69Å; L739-F897 HydrophobicContact CG-CE1 4.07Å; L739-F897 HydrophobicContact CG-CZ 4.35Å
740	E	93.2	Very high	93.2	Very high	82 Å²	82	39.8 Å²	39.8	38%	0.383	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-45.5	174.5	-71.6	178.7	172.3	0	0	112.1	R736 P737 T738 L742 R743 N744	R736-E740 WeakPolarHBondContact O-CG 3.37Å; R736-E740 PolarHBondContact O-N 3.38Å; R736-E740 VanDerWaalsContact O-N 3.08Å; P737-E740 PolarHBondContact O-N 3.36Å; T738-E740 VanDerWaalsContact C-N 3.34Å; T738-E740 PolarHBondContact O-N 2.72Å; E740-L742 VanDerWaalsContact C-N 3.32Å; E740-L742 PolarHBondContact O-N 2.78Å; E740-R743 PolarHBondContact O-N 3.37Å; E740-N744 WeakPolarHBondContact O-CB 3.34Å; E740-N744 PolarHBondContact O-N 3.46Å; E740-N744 PolarHBondContact O-ND2 2.92Å
741	L	94.6	Very high	93.6	Very high	32 Å²	32	37 Å²	37	17%	0.168	19%	0.193	C	C	.	.	H	α-helix	trans	-56.1	-46.6	175.3	-178.5	77.2	0	0	0	111.5	P737 T738 N744 A745 M905 L980 P983	P737-L741 WeakPolarHBondContact O-CB 3.48Å; P737-L741 PolarHBondContact O-N 3.32Å; T738-L741 WeakPolarHBondContact O-CB 3.39Å; T738-L741 PolarHBondContact O-N 3.16Å; L741-N744 PolarHBondContact O-N 3.44Å; L741-A745 WeakPolarHBondContact O-CB 3.48Å; L741-A745 PolarHBondContact O-N 3.23Å; L741-M905 HydrophobicContact CD2-CG 4.09Å; L741-M905 HydrophobicContact CG-CG 4.38Å; L741-L980 VanDerWaalsContact CD1-O 3.23Å; L741-L980 WeakPolarHBondContact CD1-O 3.27Å; L741-L980 HydrophobicContact CD2-CD2 4.15Å; L741-P983 HydrophobicContact CD1-CB 3.72Å; L741-P983 HydrophobicContact CD1-CG 3.87Å; L741-P983 HydrophobicContact CG-CB 4.29Å; L741-P983 WeakPolarHBondContact O-CB 3.41Å
742	L	94.5	Very high	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-40.3	179.7	-66.9	170.6	0	0	0	112	L452 T738 L739 E740 A745 G746 I747 I749 I900 L904 M905	L452-L742 HydrophobicContact CD2-CD1 3.67Å; T738-L742 HydrophobicContact CG2-CD1 4.13Å; T738-L742 WeakPolarHBondContact O-CG 3.25Å; T738-L742 PolarHBondContact O-N 3.47Å; L739-L742 PolarHBondContact O-N 3.03Å; E740-L742 VanDerWaalsContact C-N 3.32Å; E740-L742 PolarHBondContact O-N 2.78Å; L742-A745 WeakPolarHBondContact O-CB 3.13Å; L742-A745 PolarHBondContact O-N 3.27Å; L742-G746 PolarHBondContact O-N 3.39Å; L742-I747 HydrophobicContact CB-CD1 4.48Å; L742-I747 HydrophobicContact CD2-CD1 3.71Å; L742-I747 WeakPolarHBondContact O-CB 3.35Å; L742-I747 PolarHBondContact O-N 3.47Å; L742-I749 HydrophobicContact CB-CD1 3.91Å; L742-I749 HydrophobicContact CD1-CD1 4.36Å; L742-I900 HydrophobicContact CD1-CG2 4.38Å; L742-I900 HydrophobicContact CD2-CG2 4.37Å; L742-L904 HydrophobicContact CD2-CD1 3.78Å; L742-M905 HydrophobicContact CD2-CE 3.81Å
743	R	92.4	Very high	93.6	Very high	107 Å²	107	35 Å²	35	40%	0.404	18%	0.183	S	C	.	.	H	α-helix	trans	-63.9	-43.5	175.5	-171.7	175	66.4	-168.3	-3.2	111.3	L739 E740 A745 G746	L739-R743 WeakPolarHBondContact O-CB 3.19Å; L739-R743 PolarHBondContact O-N 3.34Å; E740-R743 PolarHBondContact O-N 3.37Å; R743-A745 VanDerWaalsContact C-N 3.26Å; R743-A745 PolarHBondContact O-N 3.36Å; R743-G746 WeakPolarHBondContact O-CA 3.38Å; R743-G746 PolarHBondContact O-N 2.89Å
744	N	92.8	Very high	93	Very high	80 Å²	80	34.8 Å²	34.8	43%	0.428	19%	0.185	S	C	.	.	H	α-helix	trans	-65.4	-30.9	176.6	-66.6	-13.6	0	0	0	112	E740 L741 G746 P983	E740-N744 WeakPolarHBondContact O-CB 3.34Å; E740-N744 PolarHBondContact O-N 3.46Å; E740-N744 PolarHBondContact O-ND2 2.92Å; L741-N744 PolarHBondContact O-N 3.44Å; N744-G746 PolarHBondContact O-N 2.86Å; N744-P983 HydrophobicContact CB-CB 4.33Å; N744-P983 HydrophobicContact CB-CG 3.6Å
745	A	92.7	Very high	92.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.9	170.4	0	0	0	0	0	114.2	L741 L742 R743 I747 M905 P983 Y986 K987	L741-A745 WeakPolarHBondContact O-CB 3.48Å; L741-A745 PolarHBondContact O-N 3.23Å; L742-A745 WeakPolarHBondContact O-CB 3.13Å; L742-A745 PolarHBondContact O-N 3.27Å; R743-A745 VanDerWaalsContact C-N 3.26Å; R743-A745 PolarHBondContact O-N 3.36Å; A745-I747 HydrophobicContact CB-CD1 4.41Å; A745-I747 HydrophobicContact CB-CG1 4.45Å; A745-M905 HydrophobicContact CB-CE 3.26Å; A745-M905 HydrophobicContact CB-SD 3.75Å; A745-P983 WeakPolarHBondContact CA-O 3.39Å; A745-P983 HydrophobicContact CB-CB 4Å; A745-Y986 HydrophobicContact CB-CD1 4.14Å; A745-Y986 HydrophobicContact CB-CG 4.26Å; A745-K987 WeakPolarHBondContact O-CA 3.44Å; A745-K987 WeakPolarHBondContact O-CB 3.31Å; A745-K987 PolarHBondContact O-N 2.78Å
746	G	91.4	Very high	91.2	Very high	32 Å²	32	35 Å²	35	33%	0.33	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	20.1	-178.6	0	0	0	0	0	114.1	L742 R743 N744	L742-G746 PolarHBondContact O-N 3.39Å; R743-G746 WeakPolarHBondContact O-CA 3.38Å; R743-G746 PolarHBondContact O-N 2.89Å; N744-G746 PolarHBondContact O-N 2.86Å
747	I	93.9	Very high	90.7	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	18%	0.177	C	C	.	.			trans	-86.7	127.4	174.1	-59.3	169.4	0	0	0	108.6	V450 L452 L742 A745 I749 L904 M905 Y986	V450-I747 CarbonylContact O-C 3.51Å; V450-I747 WeakPolarHBondContact O-CA 3.31Å; L452-I747 HydrophobicContact CB-CG2 3.72Å; L742-I747 HydrophobicContact CB-CD1 4.48Å; L742-I747 HydrophobicContact CD2-CD1 3.71Å; L742-I747 WeakPolarHBondContact O-CB 3.35Å; L742-I747 PolarHBondContact O-N 3.47Å; A745-I747 HydrophobicContact CB-CD1 4.41Å; A745-I747 HydrophobicContact CB-CG1 4.45Å; I747-I749 HydrophobicContact CG2-CG1 4.48Å; I747-L904 HydrophobicContact CD1-CD1 3.91Å; I747-M905 HydrophobicContact CD1-CE 4.06Å; I747-Y986 HydrophobicContact CD1-CD1 4.39Å; I747-Y986 HydrophobicContact CD1-CE1 3.95Å; I747-Y986 HydrophobicContact CG1-CD1 4.41Å; I747-Y986 HydrophobicContact CG1-CE1 4.04Å
748	K	93.5	Very high	89.9	Confident	70 Å²	70	33.9 Å²	33.9	30%	0.304	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.3	173.3	-67	-175.7	176.6	-175.2	0	109.4	V450 Y451 L452 C826	V450-K748 PolarHBondContact O-N 3.03Å; Y451-K748 CarbonylContact C-O 3.48Å; Y451-K748 WeakPolarHBondContact CA-O 3.21Å; Y451-K748 HydrophobicContact CD1-CB 3.75Å; Y451-K748 HydrophobicContact CD1-CD 4.42Å; Y451-K748 HydrophobicContact CE1-CB 3.8Å; Y451-K748 HydrophobicContact CE1-CD 3.63Å; Y451-K748 HydrophobicContact CE1-CG 4.32Å; L452-K748 PolarHBondContact N-O 3.34Å; K748-C826 PolarHBondContact NZ-O 2.93Å
749	I	95.3	Very high	89.1	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.1	-172.1	-51.4	175.6	0	0	0	109.2	L452 T454 L739 L742 I747 L769	L452-I749 HydrophobicContact CB-CG1 4.46Å; L452-I749 CarbonylContact O-C 3.11Å; L452-I749 VanDerWaalsContact O-CA 3.32Å; L452-I749 WeakPolarHBondContact O-CA 3.49Å; T454-I749 HydrophobicContact CG2-CG2 4.01Å; L739-I749 HydrophobicContact CB-CD1 4.46Å; L739-I749 HydrophobicContact CD2-CD1 3.59Å; L739-I749 HydrophobicContact CD2-CG2 4.19Å; L742-I749 HydrophobicContact CB-CD1 3.91Å; L742-I749 HydrophobicContact CD1-CD1 4.36Å; I747-I749 HydrophobicContact CG2-CG1 4.48Å; I749-L769 HydrophobicContact CB-CD1 3.67Å; I749-L769 HydrophobicContact CG2-CD1 3.66Å
750	W	96.1	Very high	88.7	Confident	7 Å²	7	34.2 Å²	34.2	3%	0.027	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.3	178.4	-73	26.6	0	0	0	108.6	L452 L453 T454 A825 V831 I844 L848	L452-W750 PolarHBondContact O-N 2.89Å; L453-W750 CarbonylContact C-O 3.59Å; L453-W750 VanDerWaalsContact CA-O 3.3Å; L453-W750 WeakPolarHBondContact CA-O 3.48Å; L453-W750 HydrophobicContact CG-CB 4.43Å; T454-W750 PolarHBondContact N-O 3.46Å; W750-A825 HydrophobicContact CH2-CB 3.82Å; W750-A825 HydrophobicContact CZ2-CB 4.19Å; W750-V831 CarbonylContact C-O 3.51Å; W750-V831 VanDerWaalsContact CA-O 3.29Å; W750-V831 WeakPolarHBondContact CA-O 3.03Å; W750-V831 HydrophobicContact CD2-CB 3.72Å; W750-V831 HydrophobicContact CD2-CG1 4.25Å; W750-V831 HydrophobicContact CD2-CG2 4.03Å; W750-V831 HydrophobicContact CE3-CB 4.18Å; W750-V831 HydrophobicContact CE3-CG1 4.19Å; W750-V831 HydrophobicContact CG-CB 3.9Å; W750-V831 HydrophobicContact CG-CG2 4.42Å; W750-V831 HydrophobicContact CH2-CG2 4.33Å; W750-V831 HydrophobicContact CZ2-CB 4.28Å; W750-V831 HydrophobicContact CZ2-CG2 3.7Å; W750-V831 HydrophobicContact CZ3-CG1 4.38Å; W750-I844 HydrophobicContact CE3-CG2 3.94Å; W750-I844 HydrophobicContact CZ3-CG2 3.85Å; W750-L848 HydrophobicContact CD2-CD1 4.22Å; W750-L848 HydrophobicContact CE3-CD1 3.93Å; W750-L848 HydrophobicContact CH2-CD1 4.38Å; W750-L848 HydrophobicContact CH2-CD2 3.64Å; W750-L848 HydrophobicContact CH2-CG 4.34Å; W750-L848 HydrophobicContact CZ2-CD2 3.94Å; W750-L848 HydrophobicContact CZ3-CD1 4.02Å; W750-L848 HydrophobicContact CZ3-CD2 4.03Å; W750-L848 HydrophobicContact CZ3-CG 4.22Å
751	M	95.6	Very high	88.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.7	175.6	-177.9	-169.9	-73.1	0	0	108.9	T454 K456 L460 I763 A764 L769 V831 V832 C833	T454-M751 HydrophobicContact CG2-CB 4.42Å; T454-M751 CarbonylContact O-C 3.6Å; T454-M751 WeakPolarHBondContact O-CA 3.3Å; K456-M751 HydrophobicContact CB-CG 4.37Å; K456-M751 HydrophobicContact CB-SD 4.24Å; K456-M751 HydrophobicContact CG-SD 4.27Å; L460-M751 HydrophobicContact CD1-CE 3.49Å; L460-M751 VanDerWaalsContact CD1-CE 3.49Å; M751-I763 HydrophobicContact CE-CB 4.37Å; M751-I763 HydrophobicContact CE-CG2 3.76Å; M751-A764 HydrophobicContact CE-CB 4.29Å; M751-L769 HydrophobicContact CB-CD2 3.77Å; M751-L769 HydrophobicContact CE-CD2 3.78Å; M751-V831 PolarHBondContact N-O 3.41Å; M751-V832 HydrophobicContact CB-CG1 4.32Å; M751-V832 HydrophobicContact CB-CG2 4.32Å; M751-V832 HydrophobicContact CG-CG1 4.45Å; M751-V832 CarbonylContact O-C 3.52Å; M751-V832 WeakPolarHBondContact O-CA 3.49Å; M751-V832 HydrophobicContact SD-CG1 3.99Å; M751-C833 PolarHBondContact O-N 2.95Å
752	L	94.1	Very high	87.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	108	178.4	-58	-172.4	0	0	0	109.3	L453 T454 C833 K841 I844 M868	L453-L752 HydrophobicContact CB-CD1 4.27Å; L453-L752 HydrophobicContact CD2-CD1 3.47Å; L453-L752 VanDerWaalsContact CD2-CD1 3.47Å; L453-L752 HydrophobicContact CD2-CG 4.17Å; T454-L752 PolarHBondContact O-N 3.34Å; L752-C833 HydrophobicContact CD2-CB 3.54Å; L752-C833 VanDerWaalsContact CD2-SG 3.54Å; L752-K841 HydrophobicContact CB-CD 4.21Å; L752-K841 HydrophobicContact CB-CG 4.15Å; L752-K841 HydrophobicContact CD1-CB 4.18Å; L752-K841 HydrophobicContact CD1-CG 4.4Å; L752-K841 WeakPolarHBondContact O-CE 3.42Å; L752-K841 PolarHBondContact O-NZ 2.65Å; L752-I844 HydrophobicContact CD1-CB 4.33Å; L752-I844 HydrophobicContact CD1-CD1 4.11Å; L752-I844 HydrophobicContact CD1-CG2 4.29Å; L752-I844 HydrophobicContact CD2-CD1 3.71Å; L752-I844 HydrophobicContact CD2-CG2 4.39Å; L752-M868 HydrophobicContact CB-SD 4.39Å; L752-M868 HydrophobicContact CD1-SD 3.7Å; L752-M868 HydrophobicContact CG-SD 4.47Å
753	T	89.1	Confident	87.6	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.165	C	C	.	.			trans	-128.3	149.6	-174.5	-174.5	0	0	0	0	112.6	D755 A760 C833 C834 R835 C836	T753-D755 HydrophobicContact CG2-CB 4.03Å; T753-D755 WeakPolarHBondContact OG1-CB 3.44Å; T753-D755 PolarHBondContact OG1-N 3.31Å; T753-D755 VanDerWaalsContact OG1-N 3.1Å; T753-A760 HydrophobicContact CG2-CB 3.62Å; T753-C833 PolarHBondContact N-O 2.68Å; T753-C834 CarbonylContact O-C 3.6Å; T753-R835 PolarHBondContact O-N 3.34Å; T753-R835 VanDerWaalsContact O-N 3.07Å; T753-C836 PolarHBondContact O-N 2.7Å
754	G	78.9	Confident	87.5	Confident	37 Å²	37	25.8 Å²	25.8	38%	0.381	15%	0.147	S	C	.	.	S	Bend	trans	-75.5	-12.5	167.7	0	0	0	0	0	112.9	R835	G754-R835 WeakPolarHBondContact O-CA 3.28Å
755	D	75.7	Confident	87.2	Confident	32 Å²	32	25.1 Å²	25.1	17%	0.171	14%	0.14	C	C	.	.	S	Bend	trans	-67.9	163.6	-176.5	-81.7	15.4	0	0	0	113.6	K456 T753 T759 R835	K456-D755 VanDerWaalsContact CD-OD2 3.29Å; K456-D755 WeakPolarHBondContact CD-OD2 3.38Å; K456-D755 VanDerWaalsContact CE-OD2 3.3Å; K456-D755 WeakPolarHBondContact CE-OD2 3.29Å; K456-D755 IonicContact NZ-OD1 2.78Å; K456-D755 IonicContact NZ-OD2 3.2Å; K456-D755 PolarHBondContact NZ-OD2 3.39Å; T753-D755 HydrophobicContact CG2-CB 4.03Å; T753-D755 WeakPolarHBondContact OG1-CB 3.44Å; T753-D755 PolarHBondContact OG1-N 3.31Å; T753-D755 VanDerWaalsContact OG1-N 3.1Å; D755-T759 HydrophobicContact CB-CG2 4.46Å; D755-T759 WeakPolarHBondContact OD2-CG2 3.42Å; D755-R835 PolarHBondContact O-N 3.43Å
756	K	74.1	Confident	86.9	Confident	57 Å²	57	25.4 Å²	25.4	25%	0.248	14%	0.142	C	C	.	.			trans	-62.1	153.5	170.6	-62	179.9	-179.5	175.7	0	111.2	S622 E758 T759 A760	S622-K756 WeakPolarHBondContact OG-CE 3.21Å; S622-K756 PolarHBondContact OG-NZ 3.33Å; K756-E758 VanDerWaalsContact C-N 3.3Å; K756-E758 WeakPolarHBondContact CB-OE2 3.25Å; K756-E758 PolarHBondContact O-N 3.17Å; K756-T759 PolarHBondContact O-N 2.87Å; K756-A760 PolarHBondContact O-N 2.96Å
757	M	81.9	Confident	86.8	Confident	45 Å²	45	23.9 Å²	23.9	22%	0.222	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-39.6	-174.5	-176.9	-175.7	-69.3	0	0	112.7	A760 T761 V778 V804 C834	M757-A760 PolarHBondContact O-N 3.18Å; M757-T761 WeakPolarHBondContact O-CB 3.48Å; M757-T761 PolarHBondContact O-N 3.16Å; M757-T761 PolarHBondContact O-OG1 2.98Å; M757-V778 HydrophobicContact CE-CG1 4.18Å; M757-V778 HydrophobicContact SD-CG1 3.41Å; M757-V778 WeakPolarHBondContact SD-CG1 3.28Å; M757-V804 HydrophobicContact CG-CG1 3.72Å; M757-V804 HydrophobicContact SD-CG1 4.39Å; M757-C834 HydrophobicContact CB-CB 4.32Å
758	E	78.3	Confident	86.6	Confident	100 Å²	100	25.5 Å²	25.5	47%	0.467	13%	0.133	S	C	.	.	H	α-helix	trans	-62.7	-49.1	-178.7	-57.1	90.5	156.5	0	0	110.5	K625 K756 T761 C762	K625-E758 IonicContact NZ-OE1 3.96Å; K625-E758 PolarHBondContact NZ-OE1 2.67Å; K756-E758 VanDerWaalsContact C-N 3.3Å; K756-E758 WeakPolarHBondContact CB-OE2 3.25Å; K756-E758 PolarHBondContact O-N 3.17Å; E758-T761 PolarHBondContact O-N 2.93Å; E758-C762 WeakPolarHBondContact O-CB 3.33Å; E758-C762 PolarHBondContact O-N 2.85Å
759	T	79.2	Confident	86.5	Confident	23 Å²	23	22.7 Å²	22.7	14%	0.141	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-47.1	176.5	-55.9	0	0	0	0	112.2	K456 D755 K756 T761 C762 I763	K456-T759 HydrophobicContact CD-CG2 4.49Å; D755-T759 HydrophobicContact CB-CG2 4.46Å; D755-T759 WeakPolarHBondContact OD2-CG2 3.42Å; K756-T759 PolarHBondContact O-N 2.87Å; T759-T761 VanDerWaalsContact C-N 3.32Å; T759-T761 PolarHBondContact O-N 2.66Å; T759-C762 WeakPolarHBondContact O-CB 3.37Å; T759-C762 PolarHBondContact O-N 3.08Å; T759-I763 PolarHBondContact O-N 3.47Å
760	A	85.5	Confident	86.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.4	-41.9	179.9	0	0	0	0	0	111.7	T753 K756 M757 C762 I763 A764 V832 C834	T753-A760 HydrophobicContact CG2-CB 3.62Å; K756-A760 PolarHBondContact O-N 2.96Å; M757-A760 PolarHBondContact O-N 3.18Å; A760-C762 VanDerWaalsContact C-N 3.34Å; A760-I763 PolarHBondContact O-N 3.17Å; A760-A764 WeakPolarHBondContact O-CB 3.49Å; A760-A764 PolarHBondContact O-N 3.38Å; A760-V832 HydrophobicContact CB-CG1 3.82Å; A760-C834 HydrophobicContact CB-CB 4.46Å; A760-C834 VanDerWaalsContact CB-SG 3.53Å
761	T	85.9	Confident	85.5	Confident	23 Å²	23	24.3 Å²	24.3	14%	0.141	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-39.9	176.6	-55.9	0	0	0	0	111.4	M757 E758 T759 A764 K765	M757-T761 WeakPolarHBondContact O-CB 3.48Å; M757-T761 PolarHBondContact O-N 3.16Å; M757-T761 PolarHBondContact O-OG1 2.98Å; E758-T761 PolarHBondContact O-N 2.93Å; T759-T761 VanDerWaalsContact C-N 3.32Å; T759-T761 PolarHBondContact O-N 2.66Å; T761-A764 PolarHBondContact O-N 3.42Å; T761-K765 WeakPolarHBondContact O-CG 3.38Å; T761-K765 PolarHBondContact O-N 2.89Å; T761-K765 VanDerWaalsContact O-N 3.09Å
762	C	84	Confident	84.6	Confident	15 Å²	15	32.5 Å²	32.5	10%	0.101	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-48.5	176.1	-170.8	0	0	0	0	111.5	G671 E758 T759 A760 K765 S766	G671-C762 WeakPolarHBondContact CA-SG 3.4Å; G671-C762 PolarHBondContact O-SG 2.64Å; E758-C762 WeakPolarHBondContact O-CB 3.33Å; E758-C762 PolarHBondContact O-N 2.85Å; T759-C762 WeakPolarHBondContact O-CB 3.37Å; T759-C762 PolarHBondContact O-N 3.08Å; A760-C762 VanDerWaalsContact C-N 3.34Å; C762-K765 PolarHBondContact O-N 2.94Å; C762-S766 WeakPolarHBondContact O-CB 3.5Å; C762-S766 PolarHBondContact O-N 3.29Å
763	I	88.8	Confident	83.9	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-38.6	175.5	-63.6	-56	0	0	0	112.2	K456 T461 D729 L731 M751 T759 A760 K765 S766 S767	K456-I763 HydrophobicContact CD-CB 4.49Å; K456-I763 HydrophobicContact CD-CG1 3.94Å; K456-I763 HydrophobicContact CG-CB 4.1Å; K456-I763 HydrophobicContact CG-CG1 4.03Å; K456-I763 HydrophobicContact CG-CG2 3.87Å; T461-I763 HydrophobicContact CG2-CD1 3.78Å; T461-I763 HydrophobicContact CG2-CG1 4.21Å; T461-I763 HydrophobicContact CG2-CG2 4.32Å; D729-I763 HydrophobicContact CB-CD1 4Å; L731-I763 HydrophobicContact CD2-CG2 4.27Å; M751-I763 HydrophobicContact CE-CB 4.37Å; M751-I763 HydrophobicContact CE-CG2 3.76Å; T759-I763 PolarHBondContact O-N 3.47Å; A760-I763 PolarHBondContact O-N 3.17Å; I763-K765 PolarHBondContact O-N 3.21Å; I763-S766 WeakPolarHBondContact CA-OG 3.16Å; I763-S766 PolarHBondContact O-N 3.13Å; I763-S766 PolarHBondContact O-OG 3.17Å; I763-S767 WeakPolarHBondContact O-CB 3.21Å; I763-S767 PolarHBondContact O-N 3.44Å; I763-S767 PolarHBondContact O-OG 2.91Å
764	A	90.3	Very high	83.6	Confident	3 Å²	3	40.6 Å²	40.6	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-35.9	177.4	0	0	0	0	0	112.1	M751 A760 T761 S767 L769 V770 V832	M751-A764 HydrophobicContact CE-CB 4.29Å; A760-A764 WeakPolarHBondContact O-CB 3.49Å; A760-A764 PolarHBondContact O-N 3.38Å; T761-A764 PolarHBondContact O-N 3.42Å; A764-S767 PolarHBondContact O-OG 3.4Å; A764-L769 HydrophobicContact CB-CD2 4.44Å; A764-L769 PolarHBondContact O-N 3.24Å; A764-L769 VanDerWaalsContact O-N 3.15Å; A764-V770 HydrophobicContact CB-CG2 4.11Å; A764-V770 PolarHBondContact O-N 3.42Å; A764-V832 HydrophobicContact CB-CG2 3.86Å
765	K	87	Confident	83.9	Confident	66 Å²	66	43.1 Å²	43.1	29%	0.287	22%	0.217	S	C	.	.	H	α-helix	trans	-75.7	-46.7	173.3	-69	176.5	-179	177.7	0	112.3	T761 C762 I763 S767 H768	T761-K765 WeakPolarHBondContact O-CG 3.38Å; T761-K765 PolarHBondContact O-N 2.89Å; T761-K765 VanDerWaalsContact O-N 3.09Å; C762-K765 PolarHBondContact O-N 2.94Å; I763-K765 PolarHBondContact O-N 3.21Å; K765-S767 VanDerWaalsContact C-N 3.33Å; K765-S767 PolarHBondContact O-N 3.39Å; K765-H768 PolarHBondContact O-N 2.85Å; K765-H768 VanDerWaalsContact O-N 3.15Å
766	S	86.7	Confident	84.6	Confident	6 Å²	6	43 Å²	43	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-67.8	-32.1	-176.9	77.2	0	0	0	0	112.8	L731 R736 C762 I763 H768	L731-S766 WeakPolarHBondContact CD1-O 3.09Å; R736-S766 PolarHBondContact NE-O 2.93Å; R736-S766 PolarHBondContact NH2-O 2.83Å; C762-S766 WeakPolarHBondContact O-CB 3.5Å; C762-S766 PolarHBondContact O-N 3.29Å; I763-S766 WeakPolarHBondContact CA-OG 3.16Å; I763-S766 PolarHBondContact O-N 3.13Å; I763-S766 PolarHBondContact O-OG 3.17Å; S766-H768 VanDerWaalsContact C-N 3.29Å
767	S	89.9	Confident	85.4	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7	175.4	64.7	0	0	0	0	113.9	L739 I763 A764 K765 L769	L739-S767 WeakPolarHBondContact CD1-O 3.26Å; I763-S767 WeakPolarHBondContact O-CB 3.21Å; I763-S767 PolarHBondContact O-N 3.44Å; I763-S767 PolarHBondContact O-OG 2.91Å; A764-S767 PolarHBondContact O-OG 3.4Å; K765-S767 VanDerWaalsContact C-N 3.33Å; K765-S767 PolarHBondContact O-N 3.39Å; S767-L769 PolarHBondContact O-N 2.85Å; S767-L769 PolarHBondContact OG-N 2.97Å
768	H	89.4	Confident	85.8	Confident	39 Å²	39	42 Å²	42	18%	0.181	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	21.8	-171.5	-68.1	-96.7	0	0	0	114.2	K765 S766 V770 R772	K765-H768 PolarHBondContact O-N 2.85Å; K765-H768 VanDerWaalsContact O-N 3.15Å; S766-H768 VanDerWaalsContact C-N 3.29Å; H768-V770 PolarHBondContact O-N 3.45Å; H768-R772 PolarHBondContact CE1-NE 3.33Å
769	L	89.9	Confident	86.4	Confident	12 Å²	12	37.3 Å²	37.3	6%	0.063	20%	0.196	C	C	.	.	S	Bend	trans	-58.6	-42.7	165.3	176.8	63.3	0	0	0	110.1	L739 I749 M751 A764 S767 A830 V832	L739-L769 HydrophobicContact CD1-CB 4.46Å; I749-L769 HydrophobicContact CB-CD1 3.67Å; I749-L769 HydrophobicContact CG2-CD1 3.66Å; M751-L769 HydrophobicContact CB-CD2 3.77Å; M751-L769 HydrophobicContact CE-CD2 3.78Å; A764-L769 HydrophobicContact CB-CD2 4.44Å; A764-L769 PolarHBondContact O-N 3.24Å; A764-L769 VanDerWaalsContact O-N 3.15Å; S767-L769 PolarHBondContact O-N 2.85Å; S767-L769 PolarHBondContact OG-N 2.97Å; L769-A830 HydrophobicContact CD1-CB 4.2Å; L769-A830 HydrophobicContact CG-CB 4.13Å; L769-V832 HydrophobicContact CD2-CG2 4.33Å
770	V	87.5	Confident	86.9	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.024	22%	0.217	C	C	.	.	S	Bend	trans	-106.6	129.2	168.2	-178.8	0	0	0	0	108.1	A764 H768 Q774 V776 A802 A830	A764-V770 HydrophobicContact CB-CG2 4.11Å; A764-V770 PolarHBondContact O-N 3.42Å; H768-V770 PolarHBondContact O-N 3.45Å; V770-Q774 HydrophobicContact CG1-CB 4.12Å; V770-Q774 HydrophobicContact CG1-CG 4.28Å; V770-V776 HydrophobicContact CG1-CG2 3.77Å; V770-A802 HydrophobicContact CB-CB 4.41Å; V770-A802 HydrophobicContact CG1-CB 3.94Å; V770-A802 HydrophobicContact CG2-CB 3.56Å; V770-A830 HydrophobicContact CG2-CB 4.31Å
771	S	82.8	Confident	87	Confident	44 Å²	44	47.8 Å²	47.8	31%	0.308	25%	0.25	S	S	.	.			trans	-65.2	149.1	176.8	-174.4	0	0	0	0	110.8	T773 Q774	S771-T773 PolarHBondContact O-N 2.78Å; S771-T773 VanDerWaalsContact O-N 3.14Å; S771-T773 PolarHBondContact OG-OG1 2.74Å; S771-Q774 WeakPolarHBondContact O-CB 3.19Å; S771-Q774 PolarHBondContact O-N 3.48Å; S771-Q774 VanDerWaalsContact O-N 3.08Å
772	R	77	Confident	87.2	Confident	172 Å²	172	47 Å²	47	65%	0.649	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.8	179.4	-64.8	-176.4	-176.8	-177.4	-0.4	113.5	H768	H768-R772 PolarHBondContact CE1-NE 3.33Å
773	T	79.8	Confident	87.4	Confident	135 Å²	135	51.6 Å²	51.6	83%	0.828	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.3	-179.6	54.3	0	0	0	0	113.7	S771	S771-T773 PolarHBondContact O-N 2.78Å; S771-T773 VanDerWaalsContact O-N 3.14Å; S771-T773 PolarHBondContact OG-OG1 2.74Å
774	Q	83.3	Confident	87.5	Confident	37 Å²	37	53.7 Å²	53.7	17%	0.173	29%	0.292	C	S	.	.	S	Bend	trans	-84.2	137.5	-175	179	164.6	29.8	0	0	111.2	V770 S771 D800	V770-Q774 HydrophobicContact CG1-CB 4.12Å; V770-Q774 HydrophobicContact CG1-CG 4.28Å; S771-Q774 WeakPolarHBondContact O-CB 3.19Å; S771-Q774 PolarHBondContact O-N 3.48Å; S771-Q774 VanDerWaalsContact O-N 3.08Å; Q774-D800 PolarHBondContact NE2-O 2.93Å
775	D	85.8	Confident	87.6	Confident	89 Å²	89	60.4 Å²	60.4	48%	0.476	32%	0.316	S	S	.	.			trans	-67.7	138.7	175.8	-170.4	27.4	0	0	0	110.6	K798 C801 A802	D775-K798 IonicContact OD2-NZ 3.95Å; D775-K798 PolarHBondContact OD2-NZ 2.89Å; D775-C801 HydrophobicContact CB-CB 4.32Å; D775-C801 CarbonylContact O-C 3.59Å; D775-C801 VanDerWaalsContact O-CA 3.26Å; D775-C801 WeakPolarHBondContact O-CA 3.35Å; D775-C801 WeakPolarHBondContact O-CB 3.37Å; D775-A802 PolarHBondContact O-N 3.42Å
776	V	88.8	Confident	87.7	Confident	30 Å²	30	59.4 Å²	59.4	18%	0.182	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.8	177.1	-177.8	0	0	0	0	107.9	V770 V778 V804	V770-V776 HydrophobicContact CG1-CG2 3.77Å; V776-V778 HydrophobicContact CG1-CG2 4.28Å; V776-V778 PolarHBondContact O-N 2.87Å; V776-V804 HydrophobicContact CG1-CG2 3.47Å; V776-V804 VanDerWaalsContact CG1-CG2 3.47Å
777	H	91.4	Very high	88	Confident	15 Å²	15	63.4 Å²	63.4	7%	0.069	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	106.9	171.2	-176.9	62.2	0	0	0	109.8	E791 F795 K798 C801 A802 V804	H777-E791 IonicContact CE1-OE1 2.93Å; H777-E791 IonicContact NE2-OE1 2.86Å; H777-F795 HydrophobicContact CB-CD2 4.41Å; H777-F795 HydrophobicContact CB-CE2 4.41Å; H777-F795 AromaticContact CD2-CD2 3.11Å; H777-F795 WeakPolarHBondContact CD2-CD2 3.49Å; H777-F795 AromaticContact CD2-CE2 3.67Å; H777-F795 AromaticContact CD2-CG 3.81Å; H777-F795 AromaticContact CG-CD2 3.87Å; H777-F795 AromaticContact NE2-CD2 3.62Å; H777-F795 AromaticContact NE2-CG 3.91Å; H777-K798 HydrophobicContact CB-CD 3.91Å; H777-C801 HydrophobicContact CB-CB 4.33Å; H777-A802 PolarHBondContact N-O 3.09Å; H777-V804 PolarHBondContact O-N 3.09Å
778	V	90.8	Very high	88	Confident	66 Å²	66	63.4 Å²	63.4	40%	0.4	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.5	170.9	-177.4	0	0	0	0	108.5	M757 V776 K780 V804	M757-V778 HydrophobicContact CE-CG1 4.18Å; M757-V778 HydrophobicContact SD-CG1 3.41Å; M757-V778 WeakPolarHBondContact SD-CG1 3.28Å; V776-V778 HydrophobicContact CG1-CG2 4.28Å; V776-V778 PolarHBondContact O-N 2.87Å; V778-K780 PolarHBondContact O-N 2.94Å; V778-V804 HydrophobicContact CG2-CB 4.4Å
779	F	90.9	Very high	88.2	Confident	1 Å²	1	65 Å²	65	0%	0.004	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-70.1	122.7	178.3	-159.9	-86.5	0	0	0	109.3	V782 E791 L792 L803 V804 V805	F779-V782 HydrophobicContact CE1-CG1 4.1Å; F779-V782 HydrophobicContact CE1-CG2 4.03Å; F779-E791 HydrophobicContact CD1-CG 4.09Å; F779-E791 HydrophobicContact CD2-CG 4.02Å; F779-E791 HydrophobicContact CE1-CB 4.25Å; F779-E791 HydrophobicContact CE1-CG 3.82Å; F779-E791 HydrophobicContact CE2-CB 4.36Å; F779-E791 HydrophobicContact CE2-CG 3.76Å; F779-E791 HydrophobicContact CG-CG 4.18Å; F779-E791 HydrophobicContact CZ-CB 3.93Å; F779-E791 HydrophobicContact CZ-CG 3.65Å; F779-L792 HydrophobicContact CE2-CD2 4.39Å; F779-L792 HydrophobicContact CZ-CG 4.42Å; F779-L803 HydrophobicContact CB-CD1 4.18Å; F779-L803 HydrophobicContact CD2-CD1 4.19Å; F779-V804 VanDerWaalsContact CB-O 3.29Å; F779-V804 WeakPolarHBondContact CB-O 3.4Å; F779-V804 PolarHBondContact N-O 3.06Å; F779-V805 HydrophobicContact CB-CB 4.09Å; F779-V805 HydrophobicContact CB-CG2 4.03Å; F779-V805 HydrophobicContact CD1-CG2 4.14Å; F779-V805 HydrophobicContact CG-CG2 4.12Å
780	K	88.9	Confident	88.3	Confident	135 Å²	135	70.3 Å²	70.3	59%	0.587	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-63.7	150.4	-177.5	-70.3	178.6	-172.9	170.8	0	112	V778 V782 E791	V778-K780 PolarHBondContact O-N 2.94Å; K780-V782 PolarHBondContact O-N 2.99Å; K780-E791 HydrophobicContact CB-CG 4.36Å; K780-E791 WeakPolarHBondContact CG-OE1 3.32Å; K780-E791 PolarHBondContact N-OE1 3.31Å
781	P	87.4	Confident	88.5	Confident	108 Å²	108	71 Å²	71	70%	0.701	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-57.8	124.1	171.8	-20.7	32.1	0	0	0	110.3	S809	P781-S809 WeakPolarHBondContact CA-OG 3.33Å
782	V	89.8	Confident	89	Confident	6 Å²	6	68.9 Å²	68.9	4%	0.036	37%	0.366	C	S	.	.			trans	-122	133.8	176	-61.3	0	0	0	0	110.4	F779 K780 E787 A788 E791 S809 V812	F779-V782 HydrophobicContact CE1-CG1 4.1Å; F779-V782 HydrophobicContact CE1-CG2 4.03Å; K780-V782 PolarHBondContact O-N 2.99Å; V782-E787 HydrophobicContact CB-CB 4.09Å; V782-E787 HydrophobicContact CG1-CB 3.95Å; V782-A788 HydrophobicContact CB-CB 4.41Å; V782-A788 HydrophobicContact CG2-CB 4.16Å; V782-E791 HydrophobicContact CG1-CB 4.3Å; V782-S809 PolarHBondContact N-OG 3.17Å; V782-V812 HydrophobicContact CG2-CB 4.22Å; V782-V812 HydrophobicContact CG2-CG1 4.32Å
783	C	88.3	Confident	89.6	Confident	113 Å²	113	62.9 Å²	62.9	76%	0.764	35%	0.347	S	S	*	.			trans	-113.4	-25	177.7	-66.1	0	0	0	0	111.6	E787	C783-E787 PolarHBondContact N-OE2 3.12Å
784	S	91.4	Very high	90.1	Very high	47 Å²	47	58.5 Å²	58.5	33%	0.329	33%	0.325	S	S	.	.	S	Bend	trans	-116.9	160.9	-176.2	75.2	0	0	0	0	113.3	G786 E787 A788	S784-G786 VanDerWaalsContact C-N 3.29Å; S784-G786 PolarHBondContact O-N 2.93Å; S784-E787 PolarHBondContact N-OE2 3.13Å; S784-E787 VanDerWaalsContact OG-CD 3.3Å; S784-E787 WeakPolarHBondContact OG-CG 3.38Å; S784-E787 PolarHBondContact OG-N 3.15Å; S784-A788 PolarHBondContact O-N 3.32Å; S784-A788 VanDerWaalsContact O-N 3.13Å
785	R	91.9	Very high	90.5	Very high	143 Å²	143	57 Å²	57	54%	0.54	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-36.3	175.4	179.3	-179.8	176.3	168.6	-0.9	112.6	H789 Y816 Y817	R785-H789 PolarHBondContact O-N 2.97Å; R785-Y816 HydrophobicContact CB-CD1 4.45Å; R785-Y816 HydrophobicContact CB-CD2 4.08Å; R785-Y816 HydrophobicContact CB-CE2 4.31Å; R785-Y816 HydrophobicContact CB-CG 4.16Å; R785-Y816 HydrophobicContact CG-CD1 4.3Å; R785-Y816 HydrophobicContact CG-CD2 4.44Å; R785-Y816 HydrophobicContact CG-CG 4.05Å; R785-Y817 HydrophobicContact CG-CE2 3.75Å; R785-Y817 WeakPolarHBondContact CG-OH 3.26Å; R785-Y817 PolarHBondContact NE-OH 3.3Å; R785-Y817 WeakPolarHBondContact O-CE2 3.3Å
786	G	90.9	Very high	90.7	Very high	45 Å²	45	58.6 Å²	58.6	46%	0.464	32%	0.317	S	S	.	.	H	α-helix	trans	-68.1	-46.4	-178.8	0	0	0	0	0	112	S784 A788 H789 L790	S784-G786 VanDerWaalsContact C-N 3.29Å; S784-G786 PolarHBondContact O-N 2.93Å; G786-A788 PolarHBondContact O-N 2.83Å; G786-H789 WeakPolarHBondContact O-CB 3.45Å; G786-H789 PolarHBondContact O-N 3.48Å; G786-L790 PolarHBondContact O-N 2.95Å; G786-L790 VanDerWaalsContact O-N 3.13Å
787	E	91.8	Very high	90.6	Very high	90 Å²	90	67.2 Å²	67.2	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-45.4	175.5	-71.5	163.8	-168.4	0	0	111.9	V782 C783 S784 H789 L790 E791	V782-E787 HydrophobicContact CB-CB 4.09Å; V782-E787 HydrophobicContact CG1-CB 3.95Å; C783-E787 PolarHBondContact N-OE2 3.12Å; S784-E787 PolarHBondContact N-OE2 3.13Å; S784-E787 VanDerWaalsContact OG-CD 3.3Å; S784-E787 WeakPolarHBondContact OG-CG 3.38Å; S784-E787 PolarHBondContact OG-N 3.15Å; E787-H789 VanDerWaalsContact C-N 3.26Å; E787-H789 PolarHBondContact O-N 3.37Å; E787-L790 PolarHBondContact O-N 3.47Å; E787-E791 PolarHBondContact O-N 3.41Å
788	A	90.9	Very high	90.4	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-57.7	-39.5	176.9	0	0	0	0	0	112.2	V782 S784 G786 L792 V812 Y817	V782-A788 HydrophobicContact CB-CB 4.41Å; V782-A788 HydrophobicContact CG2-CB 4.16Å; S784-A788 PolarHBondContact O-N 3.32Å; S784-A788 VanDerWaalsContact O-N 3.13Å; G786-A788 PolarHBondContact O-N 2.83Å; A788-L792 WeakPolarHBondContact O-CB 3.48Å; A788-L792 WeakPolarHBondContact O-CD1 3.38Å; A788-L792 VanDerWaalsContact O-CG 3.24Å; A788-L792 WeakPolarHBondContact O-CG 3.43Å; A788-L792 PolarHBondContact O-N 3.41Å; A788-V812 HydrophobicContact CB-CG1 4.15Å; A788-Y817 HydrophobicContact CB-CD2 4.19Å; A788-Y817 HydrophobicContact CB-CE2 4.24Å
789	H	92	Very high	90	Very high	73 Å²	73	74.5 Å²	74.5	34%	0.338	37%	0.374	S	S	.	.	H	α-helix	trans	-66.9	-44.3	177.7	-176.1	62.7	0	0	0	112.8	R785 G786 E787 E791 L792 N793 Y817	R785-H789 PolarHBondContact O-N 2.97Å; G786-H789 WeakPolarHBondContact O-CB 3.45Å; G786-H789 PolarHBondContact O-N 3.48Å; E787-H789 VanDerWaalsContact C-N 3.26Å; E787-H789 PolarHBondContact O-N 3.37Å; H789-E791 VanDerWaalsContact C-N 3.34Å; H789-E791 PolarHBondContact O-N 3.36Å; H789-L792 PolarHBondContact O-N 2.87Å; H789-N793 PolarHBondContact CD2-ND2 2.81Å; H789-N793 PolarHBondContact CE1-ND2 3.18Å; H789-N793 PolarHBondContact NE2-ND2 3.46Å; H789-N793 PolarHBondContact O-N 3.15Å; H789-N793 PolarHBondContact O-ND2 3.4Å; H789-Y817 HydrophobicContact CB-CE2 4.1Å
790	L	92.3	Very high	89.6	Confident	123 Å²	123	80.6 Å²	80.6	64%	0.644	41%	0.407	S	S	*	.	H	α-helix	trans	-62.4	-43.5	178.4	-70.6	171.5	0	0	0	111.3	G786 E787 N793 A794	G786-L790 PolarHBondContact O-N 2.95Å; G786-L790 VanDerWaalsContact O-N 3.13Å; E787-L790 PolarHBondContact O-N 3.47Å; L790-N793 PolarHBondContact O-N 3.13Å; L790-A794 PolarHBondContact O-N 3.5Å
791	E	92.6	Very high	89.7	Confident	18 Å²	18	74.3 Å²	74.3	8%	0.084	38%	0.38	C	S	.	.	H	α-helix	trans	-70.3	-39.5	-179.8	-168	65.4	-178.6	0	0	112	H777 F779 K780 V782 E787 H789 N793 A794 F795	H777-E791 IonicContact CE1-OE1 2.93Å; H777-E791 IonicContact NE2-OE1 2.86Å; F779-E791 HydrophobicContact CD1-CG 4.09Å; F779-E791 HydrophobicContact CD2-CG 4.02Å; F779-E791 HydrophobicContact CE1-CB 4.25Å; F779-E791 HydrophobicContact CE1-CG 3.82Å; F779-E791 HydrophobicContact CE2-CB 4.36Å; F779-E791 HydrophobicContact CE2-CG 3.76Å; F779-E791 HydrophobicContact CG-CG 4.18Å; F779-E791 HydrophobicContact CZ-CB 3.93Å; F779-E791 HydrophobicContact CZ-CG 3.65Å; K780-E791 HydrophobicContact CB-CG 4.36Å; K780-E791 WeakPolarHBondContact CG-OE1 3.32Å; K780-E791 PolarHBondContact N-OE1 3.31Å; V782-E791 HydrophobicContact CG1-CB 4.3Å; E787-E791 PolarHBondContact O-N 3.41Å; H789-E791 VanDerWaalsContact C-N 3.34Å; H789-E791 PolarHBondContact O-N 3.36Å; E791-N793 VanDerWaalsContact C-N 3.32Å; E791-N793 PolarHBondContact O-N 3.32Å; E791-A794 WeakPolarHBondContact O-CB 3.28Å; E791-A794 PolarHBondContact O-N 2.81Å; E791-A794 VanDerWaalsContact O-N 3.17Å; E791-F795 WeakPolarHBondContact O-CB 3.37Å; E791-F795 PolarHBondContact O-N 2.82Å
792	L	92	Very high	89.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-41.7	172.6	-80.5	167.6	0	0	0	112.2	F779 A788 H789 A794 F795 R796 Y817 F821 L824	F779-L792 HydrophobicContact CE2-CD2 4.39Å; F779-L792 HydrophobicContact CZ-CG 4.42Å; A788-L792 WeakPolarHBondContact O-CB 3.48Å; A788-L792 WeakPolarHBondContact O-CD1 3.38Å; A788-L792 VanDerWaalsContact O-CG 3.24Å; A788-L792 WeakPolarHBondContact O-CG 3.43Å; A788-L792 PolarHBondContact O-N 3.41Å; H789-L792 PolarHBondContact O-N 2.87Å; L792-A794 VanDerWaalsContact C-N 3.34Å; L792-F795 PolarHBondContact O-N 3.28Å; L792-R796 WeakPolarHBondContact O-CB 3.45Å; L792-R796 PolarHBondContact O-N 3.42Å; L792-Y817 HydrophobicContact CD1-CD2 3.91Å; L792-Y817 HydrophobicContact CD1-CG 3.76Å; L792-F821 HydrophobicContact CD2-CB 4.1Å; L792-F821 HydrophobicContact CD2-CD2 3.99Å; L792-L824 HydrophobicContact CD2-CD1 4.12Å
793	N	90.9	Very high	90.1	Very high	47 Å²	47	68.9 Å²	68.9	25%	0.251	35%	0.345	S	S	.	.	H	α-helix	trans	-66	-36.5	175.8	-77	-30.1	0	0	0	112.4	H789 L790 E791	H789-N793 PolarHBondContact CD2-ND2 2.81Å; H789-N793 PolarHBondContact CE1-ND2 3.18Å; H789-N793 PolarHBondContact NE2-ND2 3.46Å; H789-N793 PolarHBondContact O-N 3.15Å; H789-N793 PolarHBondContact O-ND2 3.4Å; L790-N793 PolarHBondContact O-N 3.13Å; E791-N793 VanDerWaalsContact C-N 3.32Å; E791-N793 PolarHBondContact O-N 3.32Å
794	A	89.7	Confident	90.4	Very high	43 Å²	43	63.6 Å²	63.6	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-66	-44.5	174	0	0	0	0	0	111	L790 E791 L792 R796 R797	L790-A794 PolarHBondContact O-N 3.5Å; E791-A794 WeakPolarHBondContact O-CB 3.28Å; E791-A794 PolarHBondContact O-N 2.81Å; E791-A794 VanDerWaalsContact O-N 3.17Å; L792-A794 VanDerWaalsContact C-N 3.34Å; A794-R796 PolarHBondContact O-N 2.76Å; A794-R797 PolarHBondContact O-N 2.84Å
795	F	91.2	Very high	90.5	Very high	5 Å²	5	61.3 Å²	61.3	2%	0.022	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-40	178.6	179.1	-136	0	0	0	112.6	H777 E791 L792 R797 K798 L803 L824 C828	H777-F795 HydrophobicContact CB-CD2 4.41Å; H777-F795 HydrophobicContact CB-CE2 4.41Å; H777-F795 AromaticContact CD2-CD2 3.11Å; H777-F795 WeakPolarHBondContact CD2-CD2 3.49Å; H777-F795 AromaticContact CD2-CE2 3.67Å; H777-F795 AromaticContact CD2-CG 3.81Å; H777-F795 AromaticContact CG-CD2 3.87Å; H777-F795 AromaticContact NE2-CD2 3.62Å; H777-F795 AromaticContact NE2-CG 3.91Å; E791-F795 WeakPolarHBondContact O-CB 3.37Å; E791-F795 PolarHBondContact O-N 2.82Å; L792-F795 PolarHBondContact O-N 3.28Å; F795-R797 PolarHBondContact O-N 3.14Å; F795-K798 PolarHBondContact O-N 3.38Å; F795-L803 HydrophobicContact CD2-CD1 4.5Å; F795-L803 HydrophobicContact CE1-CD1 4.25Å; F795-L803 HydrophobicContact CE1-CD2 4.07Å; F795-L803 HydrophobicContact CE2-CB 4.45Å; F795-L803 HydrophobicContact CE2-CD1 3.95Å; F795-L803 HydrophobicContact CZ-CB 4.09Å; F795-L803 HydrophobicContact CZ-CD1 3.8Å; F795-L803 HydrophobicContact CZ-CD2 3.9Å; F795-L803 HydrophobicContact CZ-CG 4.14Å; F795-L824 HydrophobicContact CD1-CB 3.9Å; F795-L824 HydrophobicContact CD1-CD1 3.93Å; F795-L824 HydrophobicContact CE1-CB 3.58Å; F795-L824 HydrophobicContact CE1-CD1 4.48Å; F795-C828 WeakPolarHBondContact CZ-SG 3.4Å
796	R	90.1	Very high	90.5	Very high	123 Å²	123	55.2 Å²	55.2	46%	0.464	27%	0.273	S	S	.	.	H	α-helix	trans	-55.4	-28	178.2	-172.1	-176.1	-64.5	-175	-0.4	113.6	L792 A794 K798 E820 L824	L792-R796 WeakPolarHBondContact O-CB 3.45Å; L792-R796 PolarHBondContact O-N 3.42Å; A794-R796 PolarHBondContact O-N 2.76Å; R796-K798 VanDerWaalsContact C-N 3.29Å; R796-E820 IonicContact CZ-OE1 3.1Å; R796-E820 IonicContact NH2-OE1 2.72Å; R796-E820 PolarHBondContact NH2-OE1 3.08Å; R796-E820 IonicContact NH2-OE2 2.9Å; R796-L824 HydrophobicContact CB-CD1 4.29Å; R796-L824 HydrophobicContact CB-CD2 4.29Å; R796-L824 HydrophobicContact CG-CD2 4.09Å
797	R	88.1	Confident	90.3	Very high	210 Å²	210	53.1 Å²	53.1	79%	0.792	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.6	180	-62.1	177.1	-173.2	179.3	0.9	113.2	A794 F795	A794-R797 PolarHBondContact O-N 2.84Å; F795-R797 PolarHBondContact O-N 3.14Å
798	K	85.9	Confident	90.1	Very high	81 Å²	81	53.5 Å²	53.5	35%	0.352	26%	0.255	S	S	.	.			trans	-94.3	137.8	178.5	-68.3	-166.1	166.2	-146.1	0	110.9	D775 H777 F795 R796	D775-K798 IonicContact OD2-NZ 3.95Å; D775-K798 PolarHBondContact OD2-NZ 2.89Å; H777-K798 HydrophobicContact CB-CD 3.91Å; F795-K798 PolarHBondContact O-N 3.38Å; R796-K798 VanDerWaalsContact C-N 3.29Å
799	H	82.4	Confident	90.1	Very high	154 Å²	154	53.7 Å²	53.7	71%	0.713	26%	0.257	S	S	*	.			trans	-122.7	149.6	175	-63.4	-60.3	0	0	0	110.1	C801	H799-C801 PolarHBondContact O-N 3.18Å; H799-C801 VanDerWaalsContact O-N 3.13Å
800	D	83.1	Confident	90	Very high	128 Å²	128	50.4 Å²	50.4	68%	0.684	24%	0.242	S	C	*	.	S	Bend	trans	56.3	24.3	177.5	-157	25.3	0	0	0	116.1	Q774	Q774-D800 PolarHBondContact NE2-O 2.93Å
801	C	90.1	Very high	89.9	Confident	3 Å²	3	50 Å²	50	2%	0.02	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-96.2	147.1	175.4	62.7	0	0	0	0	111.9	D775 H777 H799 P829	D775-C801 HydrophobicContact CB-CB 4.32Å; D775-C801 CarbonylContact O-C 3.59Å; D775-C801 VanDerWaalsContact O-CA 3.26Å; D775-C801 WeakPolarHBondContact O-CA 3.35Å; D775-C801 WeakPolarHBondContact O-CB 3.37Å; H777-C801 HydrophobicContact CB-CB 4.33Å; H799-C801 PolarHBondContact O-N 3.18Å; H799-C801 VanDerWaalsContact O-N 3.13Å; C801-P829 WeakPolarHBondContact O-CD 3.01Å
802	A	92	Very high	89.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.3	166.4	0	0	0	0	0	110	V770 D775 H777 A830	V770-A802 HydrophobicContact CB-CB 4.41Å; V770-A802 HydrophobicContact CG1-CB 3.94Å; V770-A802 HydrophobicContact CG2-CB 3.56Å; D775-A802 PolarHBondContact O-N 3.42Å; H777-A802 PolarHBondContact N-O 3.09Å; A802-A830 WeakPolarHBondContact CA-O 3.37Å; A802-A830 HydrophobicContact CB-CB 4.4Å
803	L	94.7	Very high	89.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.8	179.5	175.3	64.4	0	0	0	110.6	F779 F795 F821 A825 A830 V831 V832	F779-L803 HydrophobicContact CB-CD1 4.18Å; F779-L803 HydrophobicContact CD2-CD1 4.19Å; F795-L803 HydrophobicContact CD2-CD1 4.5Å; F795-L803 HydrophobicContact CE1-CD1 4.25Å; F795-L803 HydrophobicContact CE1-CD2 4.07Å; F795-L803 HydrophobicContact CE2-CB 4.45Å; F795-L803 HydrophobicContact CE2-CD1 3.95Å; F795-L803 HydrophobicContact CZ-CB 4.09Å; F795-L803 HydrophobicContact CZ-CD1 3.8Å; F795-L803 HydrophobicContact CZ-CD2 3.9Å; F795-L803 HydrophobicContact CZ-CG 4.14Å; L803-F821 HydrophobicContact CD2-CE2 4.18Å; L803-F821 HydrophobicContact CD2-CZ 4.09Å; L803-A825 HydrophobicContact CD2-CB 4Å; L803-A830 PolarHBondContact N-O 2.92Å; L803-A830 VanDerWaalsContact N-O 3.13Å; L803-V831 HydrophobicContact CB-CG1 4.33Å; L803-V831 HydrophobicContact CB-CG2 4.29Å; L803-V831 HydrophobicContact CD2-CG1 4.14Å; L803-V831 HydrophobicContact CG-CG1 4.37Å; L803-V831 CarbonylContact O-C 3.57Å; L803-V831 WeakPolarHBondContact O-CA 3.48Å; L803-V832 PolarHBondContact O-N 2.97Å
804	V	94	Very high	89.7	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.5	169.1	-177.7	0	0	0	0	108.8	M757 V776 H777 V778 F779 V832	M757-V804 HydrophobicContact CG-CG1 3.72Å; M757-V804 HydrophobicContact SD-CG1 4.39Å; V776-V804 HydrophobicContact CG1-CG2 3.47Å; V776-V804 VanDerWaalsContact CG1-CG2 3.47Å; H777-V804 PolarHBondContact O-N 3.09Å; V778-V804 HydrophobicContact CG2-CB 4.4Å; F779-V804 VanDerWaalsContact CB-O 3.29Å; F779-V804 WeakPolarHBondContact CB-O 3.4Å; F779-V804 PolarHBondContact N-O 3.06Å; V804-V832 CarbonylContact C-O 3.4Å; V804-V832 VanDerWaalsContact CA-O 3.32Å; V804-V832 WeakPolarHBondContact CA-O 3.2Å; V804-V832 HydrophobicContact CG2-CB 4.19Å
805	V	94.3	Very high	89.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.2	-176.8	65.9	0	0	0	0	111.5	F779 L810 F821 V832 C833 C834	F779-V805 HydrophobicContact CB-CB 4.09Å; F779-V805 HydrophobicContact CB-CG2 4.03Å; F779-V805 HydrophobicContact CD1-CG2 4.14Å; F779-V805 HydrophobicContact CG-CG2 4.12Å; V805-L810 HydrophobicContact CG2-CB 4.19Å; V805-F821 HydrophobicContact CG1-CZ 4.36Å; V805-V832 PolarHBondContact N-O 3.08Å; V805-C833 HydrophobicContact CG1-CB 4.22Å; V805-C833 CarbonylContact O-C 3.52Å; V805-C833 WeakPolarHBondContact O-CA 3.43Å; V805-C834 PolarHBondContact O-N 3.26Å
806	S	90.6	Very high	89.8	Confident	15 Å²	15	60.2 Å²	60.2	11%	0.105	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	149	173.7	-170.1	0	0	0	0	111.4	D808 S809 L810	S806-D808 VanDerWaalsContact C-N 3.29Å; S806-D808 PolarHBondContact O-N 3.02Å; S806-S809 PolarHBondContact O-N 3.42Å; S806-L810 WeakPolarHBondContact O-CB 3.4Å; S806-L810 PolarHBondContact O-N 2.89Å
807	G	87.4	Confident	89.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-52.6	-42.2	177.2	0	0	0	0	0	113.8	L810 E811 C834	G807-L810 WeakPolarHBondContact O-CB 3.5Å; G807-L810 PolarHBondContact O-N 3.32Å; G807-E811 PolarHBondContact O-N 3.23Å; G807-C834 PolarHBondContact N-O 3.3Å
808	D	87.1	Confident	90.1	Very high	98 Å²	98	49.4 Å²	49.4	52%	0.524	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-45.9	-179.5	-50.7	-42.1	0	0	0	111.8	S806 L810 E811 V812	S806-D808 VanDerWaalsContact C-N 3.29Å; S806-D808 PolarHBondContact O-N 3.02Å; D808-L810 VanDerWaalsContact C-N 3.35Å; D808-E811 PolarHBondContact O-N 3.2Å; D808-V812 PolarHBondContact O-N 3.12Å
809	S	90.9	Very high	90.3	Very high	4 Å²	4	52 Å²	52	3%	0.028	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-37.8	178.3	-58.7	0	0	0	0	111.8	P781 V782 S806 E811 V812 C813	P781-S809 WeakPolarHBondContact CA-OG 3.33Å; V782-S809 PolarHBondContact N-OG 3.17Å; S806-S809 PolarHBondContact O-N 3.42Å; S809-E811 VanDerWaalsContact C-N 3.33Å; S809-V812 PolarHBondContact O-N 3.36Å; S809-C813 PolarHBondContact O-N 3.35Å; S809-C813 PolarHBondContact O-SG 3.22Å
810	L	90.4	Very high	90.7	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-44.3	173.2	178.3	65.2	0	0	0	110.6	V805 S806 G807 D808 V812 C813 L814 F821 I844	V805-L810 HydrophobicContact CG2-CB 4.19Å; S806-L810 WeakPolarHBondContact O-CB 3.4Å; S806-L810 PolarHBondContact O-N 2.89Å; G807-L810 WeakPolarHBondContact O-CB 3.5Å; G807-L810 PolarHBondContact O-N 3.32Å; D808-L810 VanDerWaalsContact C-N 3.35Å; L810-V812 PolarHBondContact O-N 3.44Å; L810-C813 PolarHBondContact O-N 3.3Å; L810-L814 HydrophobicContact CD1-CD1 4.03Å; L810-L814 HydrophobicContact CD1-CD2 4.22Å; L810-L814 HydrophobicContact CD1-CG 3.89Å; L810-L814 HydrophobicContact CD2-CD1 4.4Å; L810-L814 HydrophobicContact CG-CD1 3.85Å; L810-L814 HydrophobicContact CG-CG 4.08Å; L810-L814 WeakPolarHBondContact O-CB 3.41Å; L810-L814 WeakPolarHBondContact O-CG 3.42Å; L810-L814 PolarHBondContact O-N 3.21Å; L810-F821 HydrophobicContact CD1-CD1 4.02Å; L810-F821 HydrophobicContact CD1-CE1 3.25Å; L810-F821 HydrophobicContact CD1-CE2 4.48Å; L810-F821 HydrophobicContact CD1-CZ 3.54Å; L810-I844 HydrophobicContact CD2-CD1 3.57Å; L810-I844 HydrophobicContact CD2-CG1 3.88Å
811	E	89.9	Confident	91.2	Very high	114 Å²	114	40.9 Å²	40.9	53%	0.533	19%	0.186	S	C	.	.	H	α-helix	trans	-60.9	-43.4	179.8	-175.6	165.6	172.5	0	0	112.6	G807 D808 S809 L814 R815 Q840	G807-E811 PolarHBondContact O-N 3.23Å; D808-E811 PolarHBondContact O-N 3.2Å; S809-E811 VanDerWaalsContact C-N 3.33Å; E811-L814 PolarHBondContact O-N 3.34Å; E811-R815 WeakPolarHBondContact O-CB 3.5Å; E811-R815 PolarHBondContact O-N 3.19Å; E811-Q840 PolarHBondContact OE2-NE2 3.01Å
812	V	90.9	Very high	91.3	Very high	23 Å²	23	40.9 Å²	40.9	14%	0.139	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-44.9	174.5	178.6	0	0	0	0	110.9	V782 A788 D808 S809 L810 R815 Y816	V782-V812 HydrophobicContact CG2-CB 4.22Å; V782-V812 HydrophobicContact CG2-CG1 4.32Å; A788-V812 HydrophobicContact CB-CG1 4.15Å; D808-V812 PolarHBondContact O-N 3.12Å; S809-V812 PolarHBondContact O-N 3.36Å; L810-V812 PolarHBondContact O-N 3.44Å; V812-R815 PolarHBondContact O-N 3.38Å; V812-Y816 HydrophobicContact CG1-CD2 4Å; V812-Y816 HydrophobicContact CG1-CE2 4.27Å; V812-Y816 WeakPolarHBondContact O-CD2 3.2Å; V812-Y816 PolarHBondContact O-N 3.21Å
813	C	91.6	Very high	91.2	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-44.1	177.8	-67.7	0	0	0	0	111.9	S809 L810 R815 Y816 Y817 E818 F821	S809-C813 PolarHBondContact O-N 3.35Å; S809-C813 PolarHBondContact O-SG 3.22Å; L810-C813 PolarHBondContact O-N 3.3Å; C813-R815 VanDerWaalsContact C-N 3.29Å; C813-R815 PolarHBondContact O-N 3.09Å; C813-Y816 PolarHBondContact O-N 3.06Å; C813-Y817 CarbonylContact O-C 3.52Å; C813-Y817 VanDerWaalsContact O-CA 3.29Å; C813-Y817 WeakPolarHBondContact O-CA 3.27Å; C813-Y817 PolarHBondContact O-N 3.41Å; C813-E818 PolarHBondContact O-N 3.42Å; C813-F821 HydrophobicContact CB-CB 4.32Å; C813-F821 HydrophobicContact CB-CD2 4.08Å; C813-F821 HydrophobicContact CB-CG 4.13Å
814	L	90.1	Very high	91.1	Very high	16 Å²	16	48 Å²	48	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-30.4	177.8	-67.1	-176.3	0	0	0	112.3	L810 E811 E818 F821 L847	L810-L814 HydrophobicContact CD1-CD1 4.03Å; L810-L814 HydrophobicContact CD1-CD2 4.22Å; L810-L814 HydrophobicContact CD1-CG 3.89Å; L810-L814 HydrophobicContact CD2-CD1 4.4Å; L810-L814 HydrophobicContact CG-CD1 3.85Å; L810-L814 HydrophobicContact CG-CG 4.08Å; L810-L814 WeakPolarHBondContact O-CB 3.41Å; L810-L814 WeakPolarHBondContact O-CG 3.42Å; L810-L814 PolarHBondContact O-N 3.21Å; E811-L814 PolarHBondContact O-N 3.34Å; L814-E818 HydrophobicContact CD2-CG 4.21Å; L814-E818 WeakPolarHBondContact O-CB 3.3Å; L814-F821 HydrophobicContact CD2-CD1 4.33Å; L814-L847 HydrophobicContact CD1-CD1 4.47Å; L814-L847 HydrophobicContact CD2-CD1 3.3Å; L814-L847 HydrophobicContact CG-CD1 4.47Å
815	R	90.3	Very high	91	Very high	188 Å²	188	47.9 Å²	47.9	71%	0.709	22%	0.218	S	C	*	.	H	α-helix	trans	-72.4	-39.5	178.3	-173.8	172.3	179.5	175.2	-3.2	113	E811 V812 C813	E811-R815 WeakPolarHBondContact O-CB 3.5Å; E811-R815 PolarHBondContact O-N 3.19Å; V812-R815 PolarHBondContact O-N 3.38Å; C813-R815 VanDerWaalsContact C-N 3.29Å; C813-R815 PolarHBondContact O-N 3.09Å
816	Y	91.7	Very high	90.9	Very high	100 Å²	100	48.6 Å²	48.6	39%	0.392	22%	0.223	S	C	.	.	H	α-helix	trans	-110.8	-30.3	-171.9	-61.7	-68.1	0	0	0	114.9	R785 V812 C813	R785-Y816 HydrophobicContact CB-CD1 4.45Å; R785-Y816 HydrophobicContact CB-CD2 4.08Å; R785-Y816 HydrophobicContact CB-CE2 4.31Å; R785-Y816 HydrophobicContact CB-CG 4.16Å; R785-Y816 HydrophobicContact CG-CD1 4.3Å; R785-Y816 HydrophobicContact CG-CD2 4.44Å; R785-Y816 HydrophobicContact CG-CG 4.05Å; V812-Y816 HydrophobicContact CG1-CD2 4Å; V812-Y816 HydrophobicContact CG1-CE2 4.27Å; V812-Y816 WeakPolarHBondContact O-CD2 3.2Å; V812-Y816 PolarHBondContact O-N 3.21Å; C813-Y816 PolarHBondContact O-N 3.06Å
817	Y	92.6	Very high	90.8	Very high	39 Å²	39	53.8 Å²	53.8	15%	0.153	25%	0.246	C	C	.	.			trans	-134.9	38.2	-172	-60.2	-74.5	0	0	0	112.7	R785 A788 H789 L792 C813 H819 E820 F821	R785-Y817 HydrophobicContact CG-CE2 3.75Å; R785-Y817 WeakPolarHBondContact CG-OH 3.26Å; R785-Y817 PolarHBondContact NE-OH 3.3Å; R785-Y817 WeakPolarHBondContact O-CE2 3.3Å; A788-Y817 HydrophobicContact CB-CD2 4.19Å; A788-Y817 HydrophobicContact CB-CE2 4.24Å; H789-Y817 HydrophobicContact CB-CE2 4.1Å; L792-Y817 HydrophobicContact CD1-CD2 3.91Å; L792-Y817 HydrophobicContact CD1-CG 3.76Å; C813-Y817 CarbonylContact O-C 3.52Å; C813-Y817 VanDerWaalsContact O-CA 3.29Å; C813-Y817 WeakPolarHBondContact O-CA 3.27Å; C813-Y817 PolarHBondContact O-N 3.41Å; Y817-H819 PolarHBondContact O-N 2.98Å; Y817-E820 PolarHBondContact O-N 3.1Å; Y817-F821 PolarHBondContact O-N 3.26Å
818	E	91.8	Very high	91	Very high	68 Å²	68	54.1 Å²	54.1	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-48.4	-56	-174.9	-169.2	178.8	102.9	0	0	112.9	C813 L814 E820 V822 L847 H851	C813-E818 PolarHBondContact O-N 3.42Å; L814-E818 HydrophobicContact CD2-CG 4.21Å; L814-E818 WeakPolarHBondContact O-CB 3.3Å; E818-E820 PolarHBondContact O-N 3Å; E818-V822 WeakPolarHBondContact O-CB 3.27Å; E818-V822 WeakPolarHBondContact O-CG2 3.24Å; E818-V822 PolarHBondContact O-N 3.44Å; E818-L847 HydrophobicContact CG-CD1 3.68Å; E818-H851 IonicContact OE1-CE1 3Å; E818-H851 PolarHBondContact OE1-CE1 3.24Å
819	H	90.8	Very high	91	Very high	135 Å²	135	51.8 Å²	51.8	63%	0.625	24%	0.238	S	C	*	.	H	α-helix	trans	-61.2	-45.5	-176.1	-91.7	-73.6	0	0	0	113	Y817 E823 H851	Y817-H819 PolarHBondContact O-N 2.98Å; H819-E823 WeakPolarHBondContact O-CB 3.44Å; H819-E823 PolarHBondContact O-N 2.75Å; H819-E823 VanDerWaalsContact O-N 3.08Å; H819-H851 AromaticContact CE1-CD2 3.71Å; H819-H851 AromaticContact CE1-NE2 3.24Å; H819-H851 PolarHBondContact CE1-NE2 3.07Å; H819-H851 AromaticContact CG-NE2 3.54Å; H819-H851 AromaticContact ND1-CD2 3.37Å; H819-H851 PolarHBondContact ND1-CD2 3.48Å; H819-H851 AromaticContact ND1-NE2 3.02Å; H819-H851 PolarHBondContact ND1-NE2 2.92Å; H819-H851 AromaticContact NE2-NE2 3.9Å
820	E	91.1	Very high	91	Very high	42 Å²	42	51.7 Å²	51.7	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-68.6	-46	-174.9	-172.9	-176.1	159.4	0	0	111.5	R796 Y817 E818 V822 E823 L824	R796-E820 IonicContact CZ-OE1 3.1Å; R796-E820 IonicContact NH2-OE1 2.72Å; R796-E820 PolarHBondContact NH2-OE1 3.08Å; R796-E820 IonicContact NH2-OE2 2.9Å; Y817-E820 PolarHBondContact O-N 3.1Å; E818-E820 PolarHBondContact O-N 3Å; E820-V822 VanDerWaalsContact C-N 3.32Å; E820-V822 PolarHBondContact O-N 2.95Å; E820-E823 PolarHBondContact O-N 2.93Å; E820-L824 HydrophobicContact CG-CD1 4.49Å; E820-L824 WeakPolarHBondContact O-CG 3.24Å; E820-L824 PolarHBondContact O-N 3.37Å
821	F	92.9	Very high	91.2	Very high	7 Å²	7	51.5 Å²	51.5	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-45.5	177.5	174.7	-95	0	0	0	111.3	L792 L803 V805 L810 C813 L814 Y817 E823 L824 A825	L792-F821 HydrophobicContact CD2-CB 4.1Å; L792-F821 HydrophobicContact CD2-CD2 3.99Å; L803-F821 HydrophobicContact CD2-CE2 4.18Å; L803-F821 HydrophobicContact CD2-CZ 4.09Å; V805-F821 HydrophobicContact CG1-CZ 4.36Å; L810-F821 HydrophobicContact CD1-CD1 4.02Å; L810-F821 HydrophobicContact CD1-CE1 3.25Å; L810-F821 HydrophobicContact CD1-CE2 4.48Å; L810-F821 HydrophobicContact CD1-CZ 3.54Å; C813-F821 HydrophobicContact CB-CB 4.32Å; C813-F821 HydrophobicContact CB-CD2 4.08Å; C813-F821 HydrophobicContact CB-CG 4.13Å; L814-F821 HydrophobicContact CD2-CD1 4.33Å; Y817-F821 PolarHBondContact O-N 3.26Å; F821-E823 PolarHBondContact O-N 3.12Å; F821-L824 PolarHBondContact O-N 3.34Å; F821-A825 HydrophobicContact CE1-CB 4.21Å; F821-A825 HydrophobicContact CZ-CB 4.39Å; F821-A825 VanDerWaalsContact O-CB 3.28Å; F821-A825 WeakPolarHBondContact O-CB 3.37Å; F821-A825 PolarHBondContact O-N 2.83Å
822	V	91.8	Very high	91.5	Very high	2 Å²	2	46 Å²	46	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-66.6	-40.2	-177.2	174.8	0	0	0	0	111.8	E818 E820 A825 C826 L847 H851	E818-V822 WeakPolarHBondContact O-CB 3.27Å; E818-V822 WeakPolarHBondContact O-CG2 3.24Å; E818-V822 PolarHBondContact O-N 3.44Å; E820-V822 VanDerWaalsContact C-N 3.32Å; E820-V822 PolarHBondContact O-N 2.95Å; V822-A825 PolarHBondContact O-N 3.28Å; V822-C826 VanDerWaalsContact O-CB 3.28Å; V822-C826 WeakPolarHBondContact O-CB 3.31Å; V822-C826 PolarHBondContact O-N 2.66Å; V822-C826 PolarHBondContact O-SG 3.09Å; V822-L847 HydrophobicContact CB-CD2 4.1Å; V822-L847 HydrophobicContact CG1-CD2 3.74Å; V822-L847 HydrophobicContact CG2-CD1 3.59Å; V822-L847 HydrophobicContact CG2-CD2 3.14Å; V822-L847 HydrophobicContact CG2-CG 3.61Å; V822-H851 HydrophobicContact CG1-CB 3.76Å
823	E	91.2	Very high	91.6	Very high	130 Å²	130	45.1 Å²	45.1	61%	0.607	21%	0.206	S	C	*	.	H	α-helix	trans	-59.9	-46.9	176.8	-174.7	171.8	-171.1	0	0	111.2	H819 E820 F821 C826 Q827	H819-E823 WeakPolarHBondContact O-CB 3.44Å; H819-E823 PolarHBondContact O-N 2.75Å; H819-E823 VanDerWaalsContact O-N 3.08Å; E820-E823 PolarHBondContact O-N 2.93Å; F821-E823 PolarHBondContact O-N 3.12Å; E823-C826 PolarHBondContact O-N 2.99Å; E823-Q827 WeakPolarHBondContact O-CG 3.32Å; E823-Q827 PolarHBondContact O-N 3.45Å
824	L	91.4	Very high	91.5	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.099	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-46.4	177.3	-64.9	174.1	0	0	0	112	L792 F795 R796 E820 F821 C826 Q827	L792-L824 HydrophobicContact CD2-CD1 4.12Å; F795-L824 HydrophobicContact CD1-CB 3.9Å; F795-L824 HydrophobicContact CD1-CD1 3.93Å; F795-L824 HydrophobicContact CE1-CB 3.58Å; F795-L824 HydrophobicContact CE1-CD1 4.48Å; R796-L824 HydrophobicContact CB-CD1 4.29Å; R796-L824 HydrophobicContact CB-CD2 4.29Å; R796-L824 HydrophobicContact CG-CD2 4.09Å; E820-L824 HydrophobicContact CG-CD1 4.49Å; E820-L824 WeakPolarHBondContact O-CG 3.24Å; E820-L824 PolarHBondContact O-N 3.37Å; F821-L824 PolarHBondContact O-N 3.34Å; L824-C826 VanDerWaalsContact C-N 3.28Å; L824-C826 PolarHBondContact O-N 3.46Å; L824-Q827 WeakPolarHBondContact O-CB 3.49Å; L824-Q827 PolarHBondContact O-N 2.98Å
825	A	92.6	Very high	91.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-36.1	179.1	0	0	0	0	0	112	W750 L803 F821 V822 Q827 C828	W750-A825 HydrophobicContact CH2-CB 3.82Å; W750-A825 HydrophobicContact CZ2-CB 4.19Å; L803-A825 HydrophobicContact CD2-CB 4Å; F821-A825 HydrophobicContact CE1-CB 4.21Å; F821-A825 HydrophobicContact CZ-CB 4.39Å; F821-A825 VanDerWaalsContact O-CB 3.28Å; F821-A825 WeakPolarHBondContact O-CB 3.37Å; F821-A825 PolarHBondContact O-N 2.83Å; V822-A825 PolarHBondContact O-N 3.28Å; A825-Q827 PolarHBondContact O-N 3.02Å; A825-C828 WeakPolarHBondContact O-CB 3.45Å; A825-C828 PolarHBondContact O-N 2.75Å
826	C	91.3	Very high	90.8	Very high	16 Å²	16	41.1 Å²	41.1	11%	0.108	19%	0.19	C	C	.	.	H	α-helix	trans	-67.8	-21.3	176.5	-73.6	0	0	0	0	113.5	K748 V822 E823 L824 C828	K748-C826 PolarHBondContact NZ-O 2.93Å; V822-C826 VanDerWaalsContact O-CB 3.28Å; V822-C826 WeakPolarHBondContact O-CB 3.31Å; V822-C826 PolarHBondContact O-N 2.66Å; V822-C826 PolarHBondContact O-SG 3.09Å; E823-C826 PolarHBondContact O-N 2.99Å; L824-C826 VanDerWaalsContact C-N 3.28Å; L824-C826 PolarHBondContact O-N 3.46Å; C826-C828 VanDerWaalsContact C-N 3.33Å
827	Q	89.6	Confident	90.3	Very high	123 Å²	123	38.4 Å²	38.4	58%	0.575	19%	0.186	S	C	*	.	H	α-helix	trans	-78.1	-21.9	175.9	-66.1	173.6	22.4	0	0	112.1	E823 L824 A825	E823-Q827 WeakPolarHBondContact O-CG 3.32Å; E823-Q827 PolarHBondContact O-N 3.45Å; L824-Q827 WeakPolarHBondContact O-CB 3.49Å; L824-Q827 PolarHBondContact O-N 2.98Å; A825-Q827 PolarHBondContact O-N 3.02Å
828	C	90.4	Very high	89.6	Confident	8 Å²	8	37.6 Å²	37.6	5%	0.054	19%	0.186	C	C	.	.	S	Bend	trans	-67.8	143.6	179.5	-63	0	0	0	0	111.8	F795 A825 C826 V831	F795-C828 WeakPolarHBondContact CZ-SG 3.4Å; A825-C828 WeakPolarHBondContact O-CB 3.45Å; A825-C828 PolarHBondContact O-N 2.75Å; C826-C828 VanDerWaalsContact C-N 3.33Å; C828-V831 HydrophobicContact CB-CG2 3.94Å
829	P	87.1	Confident	89.1	Confident	48 Å²	48	37.7 Å²	37.7	31%	0.312	19%	0.191	S	C	.	.	S	Bend	trans	-69.7	-34.1	175.9	24.2	-29.9	0	0	0	112.7	C801	C801-P829 WeakPolarHBondContact O-CD 3.01Å
830	A	91.5	Very high	88.9	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.017	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.9	174.4	0	0	0	0	0	110.3	L769 V770 A802 L803	L769-A830 HydrophobicContact CD1-CB 4.2Å; L769-A830 HydrophobicContact CG-CB 4.13Å; V770-A830 HydrophobicContact CG2-CB 4.31Å; A802-A830 WeakPolarHBondContact CA-O 3.37Å; A802-A830 HydrophobicContact CB-CB 4.4Å; L803-A830 PolarHBondContact N-O 2.92Å; L803-A830 VanDerWaalsContact N-O 3.13Å
831	V	95.1	Very high	88.9	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.1	176.6	-178.8	0	0	0	0	108.7	W750 M751 L803 C828	W750-V831 CarbonylContact C-O 3.51Å; W750-V831 VanDerWaalsContact CA-O 3.29Å; W750-V831 WeakPolarHBondContact CA-O 3.03Å; W750-V831 HydrophobicContact CD2-CB 3.72Å; W750-V831 HydrophobicContact CD2-CG1 4.25Å; W750-V831 HydrophobicContact CD2-CG2 4.03Å; W750-V831 HydrophobicContact CE3-CB 4.18Å; W750-V831 HydrophobicContact CE3-CG1 4.19Å; W750-V831 HydrophobicContact CG-CB 3.9Å; W750-V831 HydrophobicContact CG-CG2 4.42Å; W750-V831 HydrophobicContact CH2-CG2 4.33Å; W750-V831 HydrophobicContact CZ2-CB 4.28Å; W750-V831 HydrophobicContact CZ2-CG2 3.7Å; W750-V831 HydrophobicContact CZ3-CG1 4.38Å; M751-V831 PolarHBondContact N-O 3.41Å; L803-V831 HydrophobicContact CB-CG1 4.33Å; L803-V831 HydrophobicContact CB-CG2 4.29Å; L803-V831 HydrophobicContact CD2-CG1 4.14Å; L803-V831 HydrophobicContact CG-CG1 4.37Å; L803-V831 CarbonylContact O-C 3.57Å; L803-V831 WeakPolarHBondContact O-CA 3.48Å; C828-V831 HydrophobicContact CB-CG2 3.94Å
832	V	95.4	Very high	88.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112.6	177.9	-175.3	0	0	0	0	108.2	M751 A760 A764 L769 L803 V804 V805	M751-V832 HydrophobicContact CB-CG1 4.32Å; M751-V832 HydrophobicContact CB-CG2 4.32Å; M751-V832 HydrophobicContact CG-CG1 4.45Å; M751-V832 CarbonylContact O-C 3.52Å; M751-V832 WeakPolarHBondContact O-CA 3.49Å; M751-V832 HydrophobicContact SD-CG1 3.99Å; A760-V832 HydrophobicContact CB-CG1 3.82Å; A764-V832 HydrophobicContact CB-CG2 3.86Å; L769-V832 HydrophobicContact CD2-CG2 4.33Å; L803-V832 PolarHBondContact O-N 2.97Å; V804-V832 CarbonylContact C-O 3.4Å; V804-V832 VanDerWaalsContact CA-O 3.32Å; V804-V832 WeakPolarHBondContact CA-O 3.2Å; V804-V832 HydrophobicContact CG2-CB 4.19Å; V805-V832 PolarHBondContact N-O 3.08Å
833	C	93.6	Very high	88.6	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.02	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.5	173.3	-52.8	0	0	0	0	109.1	M751 L752 T753 V805 C836 I844	M751-C833 PolarHBondContact O-N 2.95Å; L752-C833 HydrophobicContact CD2-CB 3.54Å; L752-C833 VanDerWaalsContact CD2-SG 3.54Å; T753-C833 PolarHBondContact N-O 2.68Å; V805-C833 HydrophobicContact CG1-CB 4.22Å; V805-C833 CarbonylContact O-C 3.52Å; V805-C833 WeakPolarHBondContact O-CA 3.43Å; C833-C836 WeakPolarHBondContact CB-SG 3.28Å; C833-I844 HydrophobicContact CB-CD1 4.35Å
834	C	89	Confident	88.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	160.3	-175.4	-45.5	0	0	0	0	110.1	T753 M757 A760 V805 G807 C836	T753-C834 CarbonylContact O-C 3.6Å; M757-C834 HydrophobicContact CB-CB 4.32Å; A760-C834 HydrophobicContact CB-CB 4.46Å; A760-C834 VanDerWaalsContact CB-SG 3.53Å; V805-C834 PolarHBondContact O-N 3.26Å; G807-C834 PolarHBondContact N-O 3.3Å; C834-C836 PolarHBondContact O-N 3.07Å; C834-C836 VanDerWaalsContact O-N 3.11Å
835	R	83.2	Confident	88.8	Confident	115 Å²	115	27.7 Å²	27.7	43%	0.434	14%	0.144	S	C	.	.	S	Bend	trans	48.7	35.9	-178.3	-60.8	-170.9	177.3	-170.9	1.3	113.8	T753 G754 D755	T753-R835 PolarHBondContact O-N 3.34Å; T753-R835 VanDerWaalsContact O-N 3.07Å; G754-R835 WeakPolarHBondContact O-CA 3.28Å; D755-R835 PolarHBondContact O-N 3.43Å
836	C	83	Confident	88.7	Confident	6 Å²	6	32.4 Å²	32.4	4%	0.041	16%	0.162	C	C	.	.			trans	-81.6	124.6	-179	-70.4	0	0	0	0	110.8	T753 C833 C834 K841	T753-C836 PolarHBondContact O-N 2.7Å; C833-C836 WeakPolarHBondContact CB-SG 3.28Å; C834-C836 PolarHBondContact O-N 3.07Å; C834-C836 VanDerWaalsContact O-N 3.11Å; C836-K841 HydrophobicContact CB-CG 3.88Å
837	S	80.1	Confident	88.8	Confident	42 Å²	42	32 Å²	32	29%	0.294	16%	0.159	S	C	.	.			trans	-69	156.5	168.2	66.6	0	0	0	0	111.3	T839 Q840 K841	S837-T839 PolarHBondContact O-N 3.44Å; S837-T839 PolarHBondContact OG-OG1 2.77Å; S837-T839 VanDerWaalsContact OG-OG1 3.11Å; S837-Q840 WeakPolarHBondContact O-CB 3.48Å; S837-Q840 PolarHBondContact O-N 3.11Å; S837-Q840 VanDerWaalsContact O-N 3.07Å; S837-Q840 WeakPolarHBondContact OG-CB 3.27Å; S837-Q840 VanDerWaalsContact OG-CG 3.25Å; S837-Q840 WeakPolarHBondContact OG-CG 3.16Å; S837-Q840 PolarHBondContact OG-N 2.87Å; S837-Q840 PolarHBondContact OG-OE1 2.95Å; S837-K841 PolarHBondContact O-N 3.37Å
838	P	79.6	Confident	88.9	Confident	23 Å²	23	26.2 Å²	26.2	15%	0.149	13%	0.132	C	C	.	.	H	α-helix	trans	-51.3	-41.8	176.6	-29.4	35.8	0	0	0	113.1	K841 A842 N864 S867	P838-K841 PolarHBondContact O-N 2.9Å; P838-A842 PolarHBondContact O-N 3.35Å; P838-A842 VanDerWaalsContact O-N 3.14Å; P838-N864 WeakPolarHBondContact CB-O 3.45Å; P838-N864 HydrophobicContact CG-CB 4.1Å; P838-S867 PolarHBondContact O-OG 2.85Å
839	T	81.3	Confident	88.9	Confident	69 Å²	69	28 Å²	28	42%	0.423	14%	0.139	S	C	.	.	H	α-helix	trans	-66.9	-40.4	179.7	53.8	0	0	0	0	112.2	S837 A842 Q843	S837-T839 PolarHBondContact O-N 3.44Å; S837-T839 PolarHBondContact OG-OG1 2.77Å; S837-T839 VanDerWaalsContact OG-OG1 3.11Å; T839-A842 PolarHBondContact O-N 3.25Å; T839-Q843 PolarHBondContact O-N 3.36Å
840	Q	86.1	Confident	89	Confident	24 Å²	24	32.6 Å²	32.6	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-43.3	174	-75.4	169.5	-21.6	0	0	111.3	E811 S837 A842 Q843 I844	E811-Q840 PolarHBondContact OE2-NE2 3.01Å; S837-Q840 WeakPolarHBondContact O-CB 3.48Å; S837-Q840 PolarHBondContact O-N 3.11Å; S837-Q840 VanDerWaalsContact O-N 3.07Å; S837-Q840 WeakPolarHBondContact OG-CB 3.27Å; S837-Q840 VanDerWaalsContact OG-CG 3.25Å; S837-Q840 WeakPolarHBondContact OG-CG 3.16Å; S837-Q840 PolarHBondContact OG-N 2.87Å; S837-Q840 PolarHBondContact OG-OE1 2.95Å; Q840-A842 VanDerWaalsContact C-N 3.29Å; Q840-A842 PolarHBondContact O-N 2.95Å; Q840-Q843 WeakPolarHBondContact O-CA 3.42Å; Q840-Q843 WeakPolarHBondContact O-CB 3.48Å; Q840-Q843 PolarHBondContact O-N 3.04Å; Q840-I844 WeakPolarHBondContact O-CG1 3.43Å; Q840-I844 PolarHBondContact O-N 3.38Å
841	K	89.9	Confident	88.9	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-54.8	-47.3	174.9	-63.1	-168.8	-171.5	-176.3	0	111	D455 L752 C836 S837 P838 Q843 I844 V845 D865 M868	D455-K841 IonicContact OD1-NZ 3.6Å; D455-K841 PolarHBondContact OD1-NZ 3.47Å; L752-K841 HydrophobicContact CB-CD 4.21Å; L752-K841 HydrophobicContact CB-CG 4.15Å; L752-K841 HydrophobicContact CD1-CB 4.18Å; L752-K841 HydrophobicContact CD1-CG 4.4Å; L752-K841 WeakPolarHBondContact O-CE 3.42Å; L752-K841 PolarHBondContact O-NZ 2.65Å; C836-K841 HydrophobicContact CB-CG 3.88Å; S837-K841 PolarHBondContact O-N 3.37Å; P838-K841 PolarHBondContact O-N 2.9Å; K841-Q843 VanDerWaalsContact C-N 3.33Å; K841-Q843 PolarHBondContact O-N 3.38Å; K841-I844 PolarHBondContact O-N 2.88Å; K841-V845 WeakPolarHBondContact O-CG2 3.38Å; K841-V845 PolarHBondContact O-N 2.79Å; K841-D865 IonicContact NZ-OD1 3.5Å; K841-D865 PolarHBondContact NZ-OD1 3.1Å; K841-M868 HydrophobicContact CB-CB 3.99Å; K841-M868 HydrophobicContact CB-CG 4.17Å; K841-M868 HydrophobicContact CB-SD 4.2Å; K841-M868 HydrophobicContact CD-SD 4.31Å
842	A	89.1	Confident	88.5	Confident	2 Å²	2	36.5 Å²	36.5	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-31.6	176.9	0	0	0	0	0	113.6	P838 T839 Q840 R846 A871	P838-A842 PolarHBondContact O-N 3.35Å; P838-A842 VanDerWaalsContact O-N 3.14Å; T839-A842 PolarHBondContact O-N 3.25Å; Q840-A842 VanDerWaalsContact C-N 3.29Å; Q840-A842 PolarHBondContact O-N 2.95Å; A842-R846 WeakPolarHBondContact O-CG 3.15Å; A842-R846 PolarHBondContact O-N 3.34Å; A842-A871 HydrophobicContact CB-CB 4.11Å
843	Q	90.3	Very high	88.1	Confident	85 Å²	85	40.7 Å²	40.7	40%	0.397	21%	0.211	S	C	.	.	H	α-helix	trans	-68.3	-44.9	176.1	-178	173.4	-11.8	0	0	111.6	T839 Q840 K841 V845 R846 L847	T839-Q843 PolarHBondContact O-N 3.36Å; Q840-Q843 WeakPolarHBondContact O-CA 3.42Å; Q840-Q843 WeakPolarHBondContact O-CB 3.48Å; Q840-Q843 PolarHBondContact O-N 3.04Å; K841-Q843 VanDerWaalsContact C-N 3.33Å; K841-Q843 PolarHBondContact O-N 3.38Å; Q843-V845 VanDerWaalsContact C-N 3.3Å; Q843-V845 PolarHBondContact O-N 2.89Å; Q843-R846 PolarHBondContact O-N 3.27Å; Q843-R846 VanDerWaalsContact O-N 3.15Å; Q843-L847 VanDerWaalsContact O-CB 3.29Å; Q843-L847 WeakPolarHBondContact O-CB 3.46Å; Q843-L847 PolarHBondContact O-N 2.92Å
844	I	92.9	Very high	87.9	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-56.1	-46.2	176.6	-64.7	165.5	0	0	0	110.5	L453 W750 L752 L810 C833 Q840 K841 R846 L847 L848	L453-I844 HydrophobicContact CD2-CG2 4.03Å; W750-I844 HydrophobicContact CE3-CG2 3.94Å; W750-I844 HydrophobicContact CZ3-CG2 3.85Å; L752-I844 HydrophobicContact CD1-CB 4.33Å; L752-I844 HydrophobicContact CD1-CD1 4.11Å; L752-I844 HydrophobicContact CD1-CG2 4.29Å; L752-I844 HydrophobicContact CD2-CD1 3.71Å; L752-I844 HydrophobicContact CD2-CG2 4.39Å; L810-I844 HydrophobicContact CD2-CD1 3.57Å; L810-I844 HydrophobicContact CD2-CG1 3.88Å; C833-I844 HydrophobicContact CB-CD1 4.35Å; Q840-I844 WeakPolarHBondContact O-CG1 3.43Å; Q840-I844 PolarHBondContact O-N 3.38Å; K841-I844 PolarHBondContact O-N 2.88Å; I844-R846 PolarHBondContact O-N 3.12Å; I844-L847 PolarHBondContact O-N 3.16Å; I844-L848 HydrophobicContact CG2-CD1 4.42Å; I844-L848 PolarHBondContact O-N 2.95Å
845	V	93.4	Very high	88.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-48	177.2	176	0	0	0	0	111.8	L453 K841 Q843 L847 L848 Q849 M868 A871 A872	L453-V845 HydrophobicContact CD1-CG2 4.03Å; L453-V845 HydrophobicContact CD2-CG2 3.75Å; L453-V845 HydrophobicContact CG-CG2 4.37Å; K841-V845 WeakPolarHBondContact O-CG2 3.38Å; K841-V845 PolarHBondContact O-N 2.79Å; Q843-V845 VanDerWaalsContact C-N 3.3Å; Q843-V845 PolarHBondContact O-N 2.89Å; V845-L847 VanDerWaalsContact C-N 3.31Å; V845-L847 PolarHBondContact O-N 3.42Å; V845-L848 PolarHBondContact O-N 3.28Å; V845-Q849 VanDerWaalsContact O-CG 3.3Å; V845-Q849 WeakPolarHBondContact O-CG 3.44Å; V845-Q849 PolarHBondContact O-N 2.93Å; V845-Q849 VanDerWaalsContact O-N 3.11Å; V845-M868 HydrophobicContact CG2-CG 3.55Å; V845-A871 HydrophobicContact CB-CB 4.27Å; V845-A871 HydrophobicContact CG1-CB 4.11Å; V845-A872 VanDerWaalsContact CG1-CA 3.48Å; V845-A872 HydrophobicContact CG1-CB 3.92Å
846	R	91.4	Very high	88.7	Confident	99 Å²	99	40 Å²	40	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-65.7	-37.5	-179.5	-70.6	172.5	-169.6	155	7.7	111.9	A842 Q843 I844 Q849 Q850 A871	A842-R846 WeakPolarHBondContact O-CG 3.15Å; A842-R846 PolarHBondContact O-N 3.34Å; Q843-R846 PolarHBondContact O-N 3.27Å; Q843-R846 VanDerWaalsContact O-N 3.15Å; I844-R846 PolarHBondContact O-N 3.12Å; R846-Q849 PolarHBondContact O-N 3.2Å; R846-Q850 WeakPolarHBondContact O-CB 3.35Å; R846-Q850 VanDerWaalsContact O-CG 3.24Å; R846-Q850 WeakPolarHBondContact O-CG 3.22Å; R846-Q850 PolarHBondContact O-N 2.82Å; R846-A871 HydrophobicContact CG-CB 4.4Å
847	L	91.8	Very high	89.3	Confident	9 Å²	9	39.7 Å²	39.7	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-40.6	-179.5	165.3	154.7	0	0	0	111.2	L814 E818 V822 Q843 I844 V845 Q850 H851	L814-L847 HydrophobicContact CD1-CD1 4.47Å; L814-L847 HydrophobicContact CD2-CD1 3.3Å; L814-L847 HydrophobicContact CG-CD1 4.47Å; E818-L847 HydrophobicContact CG-CD1 3.68Å; V822-L847 HydrophobicContact CB-CD2 4.1Å; V822-L847 HydrophobicContact CG1-CD2 3.74Å; V822-L847 HydrophobicContact CG2-CD1 3.59Å; V822-L847 HydrophobicContact CG2-CD2 3.14Å; V822-L847 HydrophobicContact CG2-CG 3.61Å; Q843-L847 VanDerWaalsContact O-CB 3.29Å; Q843-L847 WeakPolarHBondContact O-CB 3.46Å; Q843-L847 PolarHBondContact O-N 2.92Å; I844-L847 PolarHBondContact O-N 3.16Å; V845-L847 VanDerWaalsContact C-N 3.31Å; V845-L847 PolarHBondContact O-N 3.42Å; L847-Q850 PolarHBondContact O-N 3.28Å; L847-H851 WeakPolarHBondContact O-CB 3.25Å; L847-H851 PolarHBondContact O-N 3.37Å; L847-H851 PolarHBondContact O-ND1 3.39Å
848	L	92.6	Very high	90	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-44	172.1	-76.3	177.6	0	0	0	111.9	Y451 L453 W750 I844 V845 Q850 T852 T856	Y451-L848 HydrophobicContact CD1-CD1 4.32Å; Y451-L848 HydrophobicContact CE1-CD2 4.41Å; Y451-L848 HydrophobicContact CG-CD1 4.42Å; L453-L848 HydrophobicContact CD1-CD1 4.33Å; L453-L848 HydrophobicContact CD2-CD1 4.01Å; L453-L848 HydrophobicContact CG-CD1 4.45Å; W750-L848 HydrophobicContact CD2-CD1 4.22Å; W750-L848 HydrophobicContact CE3-CD1 3.93Å; W750-L848 HydrophobicContact CH2-CD1 4.38Å; W750-L848 HydrophobicContact CH2-CD2 3.64Å; W750-L848 HydrophobicContact CH2-CG 4.34Å; W750-L848 HydrophobicContact CZ2-CD2 3.94Å; W750-L848 HydrophobicContact CZ3-CD1 4.02Å; W750-L848 HydrophobicContact CZ3-CD2 4.03Å; W750-L848 HydrophobicContact CZ3-CG 4.22Å; I844-L848 HydrophobicContact CG2-CD1 4.42Å; I844-L848 PolarHBondContact O-N 2.95Å; V845-L848 PolarHBondContact O-N 3.28Å; L848-Q850 VanDerWaalsContact C-N 3.33Å; L848-Q850 PolarHBondContact O-N 3.09Å; L848-T852 WeakPolarHBondContact O-CB 3.32Å; L848-T852 PolarHBondContact O-N 3.41Å; L848-T852 PolarHBondContact O-OG1 2.87Å; L848-T856 HydrophobicContact CB-CG2 3.94Å
849	Q	91.4	Very high	90.8	Very high	45 Å²	45	36.6 Å²	36.6	21%	0.21	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-42.5	176.7	-71.7	167.5	-13.8	0	0	111.9	V845 R846 A853 T856 A871	V845-Q849 VanDerWaalsContact O-CG 3.3Å; V845-Q849 WeakPolarHBondContact O-CG 3.44Å; V845-Q849 PolarHBondContact O-N 2.93Å; V845-Q849 VanDerWaalsContact O-N 3.11Å; R846-Q849 PolarHBondContact O-N 3.2Å; Q849-A853 WeakPolarHBondContact O-CA 3.48Å; Q849-A853 PolarHBondContact O-N 3.28Å; Q849-T856 HydrophobicContact CG-CG2 3.82Å; Q849-T856 WeakPolarHBondContact CG-OG1 3.37Å; Q849-T856 PolarHBondContact NE2-OG1 3.29Å; Q849-A871 PolarHBondContact NE2-O 3.12Å
850	Q	88.8	Confident	91.3	Very high	145 Å²	145	33.3 Å²	33.3	68%	0.678	17%	0.17	S	C	*	.	H	α-helix	trans	-72.5	-41.4	-177.5	-73.3	173.1	20.5	0	0	112.8	R846 L847 L848	R846-Q850 WeakPolarHBondContact O-CB 3.35Å; R846-Q850 VanDerWaalsContact O-CG 3.24Å; R846-Q850 WeakPolarHBondContact O-CG 3.22Å; R846-Q850 PolarHBondContact O-N 2.82Å; L847-Q850 PolarHBondContact O-N 3.28Å; L848-Q850 VanDerWaalsContact C-N 3.33Å; L848-Q850 PolarHBondContact O-N 3.09Å
851	H	88.4	Confident	91.4	Very high	55 Å²	55	32.3 Å²	32.3	26%	0.255	17%	0.165	S	C	.	.	H	α-helix	trans	-80.2	-43.7	-176.3	-78.1	75.2	0	0	0	112.9	E818 H819 V822 L847	E818-H851 IonicContact OE1-CE1 3Å; E818-H851 PolarHBondContact OE1-CE1 3.24Å; H819-H851 AromaticContact CE1-CD2 3.71Å; H819-H851 AromaticContact CE1-NE2 3.24Å; H819-H851 PolarHBondContact CE1-NE2 3.07Å; H819-H851 AromaticContact CG-NE2 3.54Å; H819-H851 AromaticContact ND1-CD2 3.37Å; H819-H851 PolarHBondContact ND1-CD2 3.48Å; H819-H851 AromaticContact ND1-NE2 3.02Å; H819-H851 PolarHBondContact ND1-NE2 2.92Å; H819-H851 AromaticContact NE2-NE2 3.9Å; V822-H851 HydrophobicContact CG1-CB 3.76Å; L847-H851 WeakPolarHBondContact O-CB 3.25Å; L847-H851 PolarHBondContact O-N 3.37Å; L847-H851 PolarHBondContact O-ND1 3.39Å
852	T	87.6	Confident	90.8	Very high	31 Å²	31	32 Å²	32	19%	0.19	16%	0.164	C	C	.	.	H	α-helix	trans	-92.4	-18.3	-172.7	70.6	0	0	0	0	113.3	Y451 L848 N854	Y451-T852 HydrophobicContact CE2-CG2 3.98Å; L848-T852 WeakPolarHBondContact O-CB 3.32Å; L848-T852 PolarHBondContact O-N 3.41Å; L848-T852 PolarHBondContact O-OG1 2.87Å; T852-N854 PolarHBondContact O-N 3.42Å; T852-N854 WeakPolarHBondContact OG1-CB 3.39Å; T852-N854 PolarHBondContact OG1-N 2.86Å
853	A	86.3	Confident	89.9	Confident	88 Å²	88	32.5 Å²	32.5	73%	0.727	17%	0.17	S	C	*	.			trans	52.6	13.1	-167.5	0	0	0	0	0	114.4	Q849	Q849-A853 WeakPolarHBondContact O-CA 3.48Å; Q849-A853 PolarHBondContact O-N 3.28Å
854	N	90.1	Very high	89.4	Confident	66 Å²	66	29.1 Å²	29.1	35%	0.353	15%	0.154	S	C	.	.			trans	-91	158.3	178.5	-69.6	-40.7	0	0	0	110.8	V450 Y451 T852	V450-N854 HydrophobicContact CB-CB 3.96Å; V450-N854 HydrophobicContact CG1-CB 4.28Å; V450-N854 HydrophobicContact CG2-CB 4.05Å; Y451-N854 HydrophobicContact CD2-CB 4.24Å; Y451-N854 HydrophobicContact CE2-CB 4.15Å; T852-N854 PolarHBondContact O-N 3.42Å; T852-N854 WeakPolarHBondContact OG1-CB 3.39Å; T852-N854 PolarHBondContact OG1-N 2.86Å
855	R	92.7	Very high	89	Confident	37 Å²	37	29 Å²	29	14%	0.14	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	130.5	-179.7	-64.8	-53.6	-165.5	-162.1	-5.1	112.1	L359 E445 R448 L449 V450 Y451 D873	L359-R855 VanDerWaalsContact CB-NH2 3.27Å; L359-R855 HydrophobicContact CD2-CG 4.43Å; E445-R855 IonicContact OE2-CZ 2.66Å; E445-R855 IonicContact OE2-NE 2.85Å; E445-R855 PolarHBondContact OE2-NE 3.22Å; E445-R855 IonicContact OE2-NH2 3.35Å; R448-R855 WeakPolarHBondContact O-CB 3.5Å; L449-R855 HydrophobicContact CD2-CB 4.16Å; V450-R855 PolarHBondContact N-O 2.81Å; Y451-R855 PolarHBondContact N-O 3.06Å; R855-D873 WeakPolarHBondContact CA-OD2 3.32Å; R855-D873 VanDerWaalsContact CD-OD2 3.28Å; R855-D873 WeakPolarHBondContact CD-OD2 3.38Å; R855-D873 IonicContact CZ-OD1 3.39Å; R855-D873 IonicContact NH1-OD1 3.36Å; R855-D873 PolarHBondContact NH1-OD1 3.19Å; R855-D873 IonicContact NH1-OD2 3.02Å
856	T	95.3	Very high	88.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.9	178.3	62.7	0	0	0	0	110.8	L453 L848 Q849 D873 C874	L453-T856 HydrophobicContact CD1-CG2 4.43Å; L848-T856 HydrophobicContact CB-CG2 3.94Å; Q849-T856 HydrophobicContact CG-CG2 3.82Å; Q849-T856 WeakPolarHBondContact CG-OG1 3.37Å; Q849-T856 PolarHBondContact NE2-OG1 3.29Å; T856-D873 PolarHBondContact N-OD2 2.85Å; T856-D873 VanDerWaalsContact N-OD2 3.1Å; T856-D873 WeakPolarHBondContact O-CB 3.37Å; T856-D873 PolarHBondContact O-N 2.89Å; T856-C874 PolarHBondContact O-N 3.07Å
857	C	96	Very high	88.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.6	169	-178	0	0	0	0	109.6	L449 Y451 L452 L453 C874	L449-C857 HydrophobicContact CD1-CB 3.5Å; L449-C857 VanDerWaalsContact CD1-CB 3.5Å; L449-C857 HydrophobicContact CD2-CB 3.79Å; L449-C857 HydrophobicContact CG-CB 4.13Å; Y451-C857 PolarHBondContact O-N 2.84Å; L452-C857 CarbonylContact C-O 3.5Å; L452-C857 WeakPolarHBondContact CA-O 3.23Å; L452-C857 HydrophobicContact CD1-CB 4.08Å; L453-C857 WeakPolarHBondContact CD1-O 3.4Å; L453-C857 PolarHBondContact N-O 3.4Å; C857-C874 CarbonylContact C-O 3.55Å; C857-C874 WeakPolarHBondContact CA-O 3.45Å; C857-C874 HydrophobicContact CB-CB 4.38Å; C857-C874 PolarHBondContact SG-O 2.98Å
858	A	95.9	Very high	88.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.8	174.7	0	0	0	0	0	110.2	L453 M868 I869 A872 C874 I876	L453-A858 CarbonylContact O-C 3.57Å; L453-A858 VanDerWaalsContact O-CA 3.27Å; L453-A858 WeakPolarHBondContact O-CA 3.46Å; A858-M868 HydrophobicContact CB-CE 4.11Å; A858-M868 HydrophobicContact CB-CG 3.69Å; A858-M868 HydrophobicContact CB-SD 4.19Å; A858-I869 HydrophobicContact CB-CG1 4.45Å; A858-A872 HydrophobicContact CB-CB 3.54Å; A858-C874 PolarHBondContact N-O 3.49Å; A858-I876 PolarHBondContact O-N 3.06Å
859	I	95.8	Very high	88.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.1	175.3	-170.8	169.6	0	0	0	112	L452 L453 T454 D455 T459 M868 I876 I878 F897 I900	L452-I859 HydrophobicContact CD1-CG2 4.04Å; L453-I859 PolarHBondContact O-N 3.36Å; T454-I859 WeakPolarHBondContact OG1-CG2 3.48Å; D455-I859 PolarHBondContact N-O 3.45Å; T459-I859 HydrophobicContact CG2-CD1 4.49Å; T459-I859 HydrophobicContact CG2-CG1 4.18Å; T459-I859 HydrophobicContact CG2-CG2 4.12Å; I859-M868 WeakPolarHBondContact O-CE 3.24Å; I859-I876 VanDerWaalsContact CA-O 3.28Å; I859-I876 WeakPolarHBondContact CA-O 3.38Å; I859-I876 HydrophobicContact CB-CB 4.17Å; I859-I876 HydrophobicContact CD1-CB 4.14Å; I859-I876 HydrophobicContact CD1-CG2 3.72Å; I859-I876 HydrophobicContact CG1-CB 4Å; I859-I876 HydrophobicContact CG1-CG2 3.99Å; I859-I878 HydrophobicContact CD1-CD1 3.68Å; I859-I878 HydrophobicContact CD1-CG1 3.77Å; I859-I878 HydrophobicContact CG1-CD1 4.09Å; I859-I878 HydrophobicContact CG1-CG1 4.01Å; I859-F897 HydrophobicContact CD1-CD2 4.19Å; I859-F897 HydrophobicContact CD1-CE2 4.48Å; I859-F897 HydrophobicContact CG2-CE2 4.33Å; I859-I900 HydrophobicContact CD1-CD1 3.12Å; I859-I900 HydrophobicContact CD1-CG1 3.8Å
860	G	92.3	Very high	88	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	168.6	176.2	0	0	0	0	0	111.4	T459 D865 I876 G877 I878	T459-G860 WeakPolarHBondContact OG1-CA 3.46Å; G860-D865 WeakPolarHBondContact CA-OD2 3.28Å; G860-I876 PolarHBondContact N-O 3.36Å; G860-G877 CarbonylContact O-C 3.57Å; G860-G877 VanDerWaalsContact O-CA 3.31Å; G860-G877 WeakPolarHBondContact O-CA 3.42Å; G860-I878 PolarHBondContact O-N 3.24Å
861	D	87.2	Confident	88	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.011	11%	0.108	C	C	.	.	S	Bend	trans	-118.3	-29.9	178.3	73.2	-47.6	0	0	0	112.6	G458 T459 I878 A886	G458-D861 VanDerWaalsContact C-CG 3.47Å; G458-D861 VanDerWaalsContact CA-OD2 3.24Å; G458-D861 WeakPolarHBondContact CA-OD2 3.28Å; T459-D861 PolarHBondContact OG1-N 3.19Å; T459-D861 PolarHBondContact OG1-OD1 3.05Å; D861-I878 HydrophobicContact CB-CB 3.91Å; D861-I878 HydrophobicContact CB-CG2 4.3Å; D861-A886 WeakPolarHBondContact O-CB 3.28Å
862	G	78.3	Confident	88.2	Confident	2 Å²	2	15 Å²	15	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	-86	163.3	-178	0	0	0	0	0	115.9	N864 D865 A886	G862-N864 PolarHBondContact O-N 2.97Å; G862-D865 PolarHBondContact O-N 3.48Å; G862-A886 WeakPolarHBondContact O-CB 2.79Å
863	G	70.6	Confident	88.5	Confident	13 Å²	13	15 Å²	15	13%	0.134	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-59.9	-25.3	177.4	0	0	0	0	0	113.8	Q255 D865 V866	Q255-G863 WeakPolarHBondContact O-CA 3.09Å; G863-D865 VanDerWaalsContact C-N 3.27Å; G863-D865 PolarHBondContact O-N 3Å; G863-V866 VanDerWaalsContact O-CB 3.27Å; G863-V866 WeakPolarHBondContact O-CB 3.41Å; G863-V866 VanDerWaalsContact O-CG2 3.24Å; G863-V866 WeakPolarHBondContact O-CG2 3.42Å; G863-V866 PolarHBondContact O-N 2.84Å
864	N	78	Confident	88.9	Confident	14 Å²	14	10.8 Å²	10.8	8%	0.075	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-66.6	-31.6	-179.7	-49.8	-43.7	0	0	0	112.6	E254 L256 D257 G258 P838 G862 V866 S867	E254-N864 PolarHBondContact O-ND2 3.31Å; L256-N864 WeakPolarHBondContact CA-OD1 3.15Å; L256-N864 PolarHBondContact O-OD1 2.86Å; D257-N864 PolarHBondContact N-OD1 3.38Å; D257-N864 PolarHBondContact O-ND2 2.76Å; G258-N864 WeakPolarHBondContact CA-ND2 3.13Å; G258-N864 PolarHBondContact N-ND2 3Å; P838-N864 WeakPolarHBondContact CB-O 3.45Å; P838-N864 HydrophobicContact CG-CB 4.1Å; G862-N864 PolarHBondContact O-N 2.97Å; N864-V866 VanDerWaalsContact C-N 3.31Å; N864-S867 PolarHBondContact O-OG 3.33Å; N864-S867 VanDerWaalsContact O-OG 3.13Å
865	D	85.3	Confident	89.1	Confident	2 Å²	2	7.7 Å²	7.7	1%	0.011	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-84.8	-11.8	-176.4	-57	-40.2	0	0	0	112	D455 K841 G860 G862 G863 S867 M868 I869	D455-D865 WeakPolarHBondContact CB-OD2 3.48Å; K841-D865 IonicContact NZ-OD1 3.5Å; K841-D865 PolarHBondContact NZ-OD1 3.1Å; G860-D865 WeakPolarHBondContact CA-OD2 3.28Å; G862-D865 PolarHBondContact O-N 3.48Å; G863-D865 VanDerWaalsContact C-N 3.27Å; G863-D865 PolarHBondContact O-N 3Å; D865-S867 PolarHBondContact O-N 2.94Å; D865-S867 VanDerWaalsContact O-N 3.15Å; D865-M868 HydrophobicContact CB-CE 4.07Å; D865-M868 CarbonylContact O-C 3.59Å; D865-M868 WeakPolarHBondContact O-CA 3.33Å; D865-M868 WeakPolarHBondContact O-CB 3.45Å; D865-M868 PolarHBondContact O-N 3.01Å; D865-I869 HydrophobicContact CB-CD1 4.03Å; D865-I869 HydrophobicContact CB-CG1 4.4Å; D865-I869 WeakPolarHBondContact O-CB 3.34Å; D865-I869 VanDerWaalsContact O-CG1 3.24Å; D865-I869 WeakPolarHBondContact O-CG1 3.25Å; D865-I869 PolarHBondContact O-N 3.47Å
866	V	83.1	Confident	89.2	Confident	7 Å²	7	5.9 Å²	5.9	4%	0.042	4%	0.037	C	C	.	.	H	α-helix	trans	-52.5	-41.6	177.7	172.7	0	0	0	0	110.9	T350 G863 N864 Q870 A889	T350-V866 HydrophobicContact CG2-CG1 4.01Å; G863-V866 VanDerWaalsContact O-CB 3.27Å; G863-V866 WeakPolarHBondContact O-CB 3.41Å; G863-V866 VanDerWaalsContact O-CG2 3.24Å; G863-V866 WeakPolarHBondContact O-CG2 3.42Å; G863-V866 PolarHBondContact O-N 2.84Å; N864-V866 VanDerWaalsContact C-N 3.31Å; V866-Q870 HydrophobicContact CG1-CG 4.29Å; V866-Q870 VanDerWaalsContact O-CB 3.28Å; V866-Q870 WeakPolarHBondContact O-CB 3.34Å; V866-Q870 WeakPolarHBondContact O-CG 3.28Å; V866-Q870 PolarHBondContact O-N 3.23Å; V866-A889 HydrophobicContact CB-CB 4.4Å; V866-A889 HydrophobicContact CG1-CB 3.65Å; V866-A889 HydrophobicContact CG2-CB 4.07Å
867	S	85.3	Confident	89.1	Confident	2 Å²	2	5.9 Å²	5.9	1%	0.014	4%	0.037	C	C	.	.	H	α-helix	trans	-63.5	-42.5	178.5	64.2	0	0	0	0	112.5	P838 N864 D865 A871	P838-S867 PolarHBondContact O-OG 2.85Å; N864-S867 PolarHBondContact O-OG 3.33Å; N864-S867 VanDerWaalsContact O-OG 3.13Å; D865-S867 PolarHBondContact O-N 2.94Å; D865-S867 VanDerWaalsContact O-N 3.15Å; S867-A871 VanDerWaalsContact O-CB 3.32Å; S867-A871 WeakPolarHBondContact O-CB 3.15Å; S867-A871 PolarHBondContact O-N 3.39Å; S867-A871 VanDerWaalsContact O-N 3.14Å
868	M	90.6	Very high	88.9	Confident	0 Å²	0	6 Å²	6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-68.2	-48.4	176.8	-173.5	-172.9	54.5	0	0	111.4	L453 L752 K841 V845 A858 I859 D865 Q870 A871 A872	L453-M868 HydrophobicContact CB-SD 4.06Å; L752-M868 HydrophobicContact CB-SD 4.39Å; L752-M868 HydrophobicContact CD1-SD 3.7Å; L752-M868 HydrophobicContact CG-SD 4.47Å; K841-M868 HydrophobicContact CB-CB 3.99Å; K841-M868 HydrophobicContact CB-CG 4.17Å; K841-M868 HydrophobicContact CB-SD 4.2Å; K841-M868 HydrophobicContact CD-SD 4.31Å; V845-M868 HydrophobicContact CG2-CG 3.55Å; A858-M868 HydrophobicContact CB-CE 4.11Å; A858-M868 HydrophobicContact CB-CG 3.69Å; A858-M868 HydrophobicContact CB-SD 4.19Å; I859-M868 WeakPolarHBondContact O-CE 3.24Å; D865-M868 HydrophobicContact CB-CE 4.07Å; D865-M868 CarbonylContact O-C 3.59Å; D865-M868 WeakPolarHBondContact O-CA 3.33Å; D865-M868 WeakPolarHBondContact O-CB 3.45Å; D865-M868 PolarHBondContact O-N 3.01Å; M868-Q870 VanDerWaalsContact C-N 3.34Å; M868-Q870 PolarHBondContact O-N 3.31Å; M868-A871 PolarHBondContact O-N 2.96Å; M868-A871 VanDerWaalsContact O-N 3.15Å; M868-A872 PolarHBondContact O-N 3.37Å
869	I	91.3	Very high	88.3	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.5	-43.5	178.2	-70.9	171.5	0	0	0	111.2	K356 A858 D865 A886 A890	K356-I869 PolarHBondContact NZ-O 3.48Å; A858-I869 HydrophobicContact CB-CG1 4.45Å; D865-I869 HydrophobicContact CB-CD1 4.03Å; D865-I869 HydrophobicContact CB-CG1 4.4Å; D865-I869 WeakPolarHBondContact O-CB 3.34Å; D865-I869 VanDerWaalsContact O-CG1 3.24Å; D865-I869 WeakPolarHBondContact O-CG1 3.25Å; D865-I869 PolarHBondContact O-N 3.47Å; I869-A886 HydrophobicContact CD1-CB 3.84Å; I869-A890 HydrophobicContact CG2-CB 3.72Å
870	Q	88.3	Confident	87.1	Confident	33 Å²	33	10.1 Å²	10.1	15%	0.154	6%	0.063	C	C	.	.	H	α-helix	trans	-73.2	-29.1	177.9	-72.4	-178.7	4.9	0	0	113.1	S351 V866 M868	S351-Q870 PolarHBondContact O-OE1 2.96Å; V866-Q870 HydrophobicContact CG1-CG 4.29Å; V866-Q870 VanDerWaalsContact O-CB 3.28Å; V866-Q870 WeakPolarHBondContact O-CB 3.34Å; V866-Q870 WeakPolarHBondContact O-CG 3.28Å; V866-Q870 PolarHBondContact O-N 3.23Å; M868-Q870 VanDerWaalsContact C-N 3.34Å; M868-Q870 PolarHBondContact O-N 3.31Å
871	A	89.8	Confident	85.7	Confident	16 Å²	16	17.8 Å²	17.8	13%	0.132	10%	0.097	C	C	.	.	H	α-helix	trans	-75.1	-31.2	177.2	0	0	0	0	0	112.8	A842 V845 R846 Q849 S867 M868	A842-A871 HydrophobicContact CB-CB 4.11Å; V845-A871 HydrophobicContact CB-CB 4.27Å; V845-A871 HydrophobicContact CG1-CB 4.11Å; R846-A871 HydrophobicContact CG-CB 4.4Å; Q849-A871 PolarHBondContact NE2-O 3.12Å; S867-A871 VanDerWaalsContact O-CB 3.32Å; S867-A871 WeakPolarHBondContact O-CB 3.15Å; S867-A871 PolarHBondContact O-N 3.39Å; S867-A871 VanDerWaalsContact O-N 3.14Å; M868-A871 PolarHBondContact O-N 2.96Å; M868-A871 VanDerWaalsContact O-N 3.15Å
872	A	93.1	Very high	84.4	Confident	2 Å²	2	18.2 Å²	18.2	2%	0.017	10%	0.099	C	C	.	.	S	Bend	trans	-67.5	156.7	-179.4	0	0	0	0	0	113	K356 V845 A858 M868 C874	K356-A872 VanDerWaalsContact CE-O 3.25Å; K356-A872 WeakPolarHBondContact CE-O 3.2Å; K356-A872 PolarHBondContact NZ-O 2.65Å; V845-A872 VanDerWaalsContact CG1-CA 3.48Å; V845-A872 HydrophobicContact CG1-CB 3.92Å; A858-A872 HydrophobicContact CB-CB 3.54Å; M868-A872 PolarHBondContact O-N 3.37Å; A872-C874 WeakPolarHBondContact CB-O 3.08Å; A872-C874 PolarHBondContact O-N 3.18Å
873	D	93.4	Very high	83.8	Confident	31 Å²	31	18.8 Å²	18.8	17%	0.166	11%	0.105	C	C	.	.	S	Bend	trans	-65.2	-32.4	174.1	-65.5	-66.5	0	0	0	110.9	K356 R855 T856	K356-D873 WeakPolarHBondContact CD-O 3.3Å; R855-D873 WeakPolarHBondContact CA-OD2 3.32Å; R855-D873 VanDerWaalsContact CD-OD2 3.28Å; R855-D873 WeakPolarHBondContact CD-OD2 3.38Å; R855-D873 IonicContact CZ-OD1 3.39Å; R855-D873 IonicContact NH1-OD1 3.36Å; R855-D873 PolarHBondContact NH1-OD1 3.19Å; R855-D873 IonicContact NH1-OD2 3.02Å; T856-D873 PolarHBondContact N-OD2 2.85Å; T856-D873 VanDerWaalsContact N-OD2 3.1Å; T856-D873 WeakPolarHBondContact O-CB 3.37Å; T856-D873 PolarHBondContact O-N 2.89Å
874	C	94.1	Very high	83.7	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.2	172.7	-178.3	0	0	0	0	110.5	I442 L446 L449 T856 C857 A858 A872	I442-C874 HydrophobicContact CD1-CB 4.5Å; L446-C874 WeakPolarHBondContact CD2-SG 3.48Å; L449-C874 HydrophobicContact CD2-CB 4.04Å; T856-C874 PolarHBondContact O-N 3.07Å; C857-C874 CarbonylContact C-O 3.55Å; C857-C874 WeakPolarHBondContact CA-O 3.45Å; C857-C874 HydrophobicContact CB-CB 4.38Å; C857-C874 PolarHBondContact SG-O 2.98Å; A858-C874 PolarHBondContact N-O 3.49Å; A872-C874 WeakPolarHBondContact CB-O 3.08Å; A872-C874 PolarHBondContact O-N 3.18Å
875	G	94.4	Very high	83.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127	176.7	0	0	0	0	0	111.8	D891 F892	G875-D891 PolarHBondContact N-OD2 2.88Å; G875-D891 WeakPolarHBondContact O-CA 3.45Å; G875-D891 WeakPolarHBondContact O-CB 3.35Å; G875-D891 PolarHBondContact O-N 3.43Å; G875-F892 PolarHBondContact O-N 2.82Å; G875-F892 VanDerWaalsContact O-N 3.1Å
876	I	95.5	Very high	83.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.9	173.1	-57.2	175	0	0	0	107.8	A858 I859 G860 F892 V894 I900 L903	A858-I876 PolarHBondContact O-N 3.06Å; I859-I876 VanDerWaalsContact CA-O 3.28Å; I859-I876 WeakPolarHBondContact CA-O 3.38Å; I859-I876 HydrophobicContact CB-CB 4.17Å; I859-I876 HydrophobicContact CD1-CB 4.14Å; I859-I876 HydrophobicContact CD1-CG2 3.72Å; I859-I876 HydrophobicContact CG1-CB 4Å; I859-I876 HydrophobicContact CG1-CG2 3.99Å; G860-I876 PolarHBondContact N-O 3.36Å; I876-F892 CarbonylContact C-O 3.57Å; I876-F892 WeakPolarHBondContact CA-O 3.27Å; I876-F892 HydrophobicContact CG1-CB 4.38Å; I876-V894 HydrophobicContact CG2-CG1 4.28Å; I876-V894 HydrophobicContact CG2-CG2 3.74Å; I876-I900 HydrophobicContact CD1-CG2 4.5Å; I876-L903 HydrophobicContact CD1-CD2 4.09Å
877	G	93.4	Very high	83.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.2	176.8	0	0	0	0	0	109.8	G860 F892 S893 V894	G860-G877 CarbonylContact O-C 3.57Å; G860-G877 VanDerWaalsContact O-CA 3.31Å; G860-G877 WeakPolarHBondContact O-CA 3.42Å; G877-F892 PolarHBondContact N-O 3.47Å; G877-S893 CarbonylContact O-C 3.11Å; G877-S893 WeakPolarHBondContact O-CA 3.36Å; G877-V894 PolarHBondContact O-N 3.36Å
878	I	91.3	Very high	82.8	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.8	172.6	-64.1	179.8	0	0	0	109.3	T459 I859 G860 D861 G880 V894 F897	T459-I878 HydrophobicContact CG2-CD1 3.79Å; I859-I878 HydrophobicContact CD1-CD1 3.68Å; I859-I878 HydrophobicContact CD1-CG1 3.77Å; I859-I878 HydrophobicContact CG1-CD1 4.09Å; I859-I878 HydrophobicContact CG1-CG1 4.01Å; G860-I878 PolarHBondContact O-N 3.24Å; D861-I878 HydrophobicContact CB-CB 3.91Å; D861-I878 HydrophobicContact CB-CG2 4.3Å; I878-G880 PolarHBondContact O-N 2.91Å; I878-G880 VanDerWaalsContact O-N 3.16Å; I878-V894 CarbonylContact C-O 3.37Å; I878-V894 VanDerWaalsContact CA-O 3.24Å; I878-V894 WeakPolarHBondContact CA-O 3.42Å; I878-V894 HydrophobicContact CG1-CG2 3.86Å; I878-F897 HydrophobicContact CD1-CB 4.22Å; I878-F897 HydrophobicContact CD1-CD2 4.37Å
879	E	83.8	Confident	82.2	Confident	62 Å²	62	30.2 Å²	30.2	29%	0.29	16%	0.159	S	C	.	.			trans	-81.7	83.6	169.8	-65.2	-169.4	-167.4	0	0	109.7	K884 S887 S893 V894	E879-K884 IonicContact OE2-NZ 2.97Å; E879-S887 WeakPolarHBondContact CG-OG 3.35Å; E879-S887 PolarHBondContact OE1-OG 3.29Å; E879-S893 PolarHBondContact OE1-OG 3.15Å; E879-V894 PolarHBondContact N-O 3.38Å
880	G	69.9	Low	82.1	Confident	25 Å²	25	30.3 Å²	30.3	26%	0.258	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-87.3	174.7	180	0	0	0	0	0	114.3	I878 E882	I878-G880 PolarHBondContact O-N 2.91Å; I878-G880 VanDerWaalsContact O-N 3.16Å; G880-E882 PolarHBondContact O-N 3.43Å
881	K	63.6	Low	82.2	Confident	161 Å²	161	29.1 Å²	29.1	70%	0.7	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-26	174.2	-65.8	-179.6	-176.5	172.3	0	112.2	E464 G883	E464-K881 IonicContact OE1-NZ 2.66Å; E464-K881 PolarHBondContact OE1-NZ 3.17Å; K881-G883 PolarHBondContact O-N 3.3Å
882	E	59.7	Low	82.4	Confident	12 Å²	12	28.4 Å²	28.4	6%	0.056	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.2	-178.8	-58.1	-169.8	173.1	0	0	113.4	E254 Q255 G880	E254-E882 HydrophobicContact CB-CB 4.28Å; E254-E882 HydrophobicContact CB-CG 4.12Å; Q255-E882 WeakPolarHBondContact CG-O 3.41Å; Q255-E882 PolarHBondContact NE2-O 3.16Å; G880-E882 PolarHBondContact O-N 3.43Å
883	G	65.4	Low	82.4	Confident	14 Å²	14	28.3 Å²	28.3	14%	0.144	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	133.7	-174.8	176.4	0	0	0	0	0	113.5	K881	K881-G883 PolarHBondContact O-N 3.3Å
884	K	69.4	Low	82.4	Confident	123 Å²	123	26.8 Å²	26.8	54%	0.535	14%	0.14	S	C	.	.	S	Bend	trans	-103.1	12.7	-174.9	-61.9	-171.4	178.1	-168.3	0	114.1	E879 S887 L888	E879-K884 IonicContact OE2-NZ 2.97Å; K884-S887 WeakPolarHBondContact O-CB 3.5Å; K884-L888 HydrophobicContact CB-CD1 4.25Å; K884-L888 HydrophobicContact CB-CG 4.3Å; K884-L888 VanDerWaalsContact O-CB 3.27Å; K884-L888 WeakPolarHBondContact O-CB 3.29Å; K884-L888 WeakPolarHBondContact O-CD1 3.29Å; K884-L888 WeakPolarHBondContact O-CG 3.18Å; K884-L888 PolarHBondContact O-N 3.48Å
885	Q	72.8	Confident	82.3	Confident	47 Å²	47	28.6 Å²	28.6	22%	0.22	15%	0.152	C	C	.	.	H	α-helix	trans	-69.2	-49.2	-171.2	-70.6	-169.6	-12.2	0	0	113.4	S887 L888 A889	Q885-S887 VanDerWaalsContact C-N 3.32Å; Q885-S887 PolarHBondContact O-N 3.43Å; Q885-L888 PolarHBondContact O-N 3.22Å; Q885-A889 WeakPolarHBondContact O-CB 3.43Å; Q885-A889 PolarHBondContact O-N 2.94Å
886	A	79	Confident	82.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.8	-48.7	176.3	0	0	0	0	0	110.8	D861 G862 I869 L888 A889 A890	D861-A886 WeakPolarHBondContact O-CB 3.28Å; G862-A886 WeakPolarHBondContact O-CB 2.79Å; I869-A886 HydrophobicContact CD1-CB 3.84Å; A886-L888 PolarHBondContact O-N 3.5Å; A886-A889 PolarHBondContact O-N 3Å; A886-A890 VanDerWaalsContact O-CB 3.25Å; A886-A890 WeakPolarHBondContact O-CB 3.38Å; A886-A890 PolarHBondContact O-N 2.81Å
887	S	82.9	Confident	82.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-46.6	-64.6	169.6	173.9	0	0	0	0	109.8	R438 E879 K884 Q885 A889 A890 S893	R438-S887 WeakPolarHBondContact CD-O 3.46Å; R438-S887 VanDerWaalsContact CZ-OG 3.23Å; R438-S887 PolarHBondContact NE-O 3.44Å; R438-S887 PolarHBondContact NH1-O 3.3Å; R438-S887 PolarHBondContact NH1-OG 3.3Å; R438-S887 PolarHBondContact NH2-OG 3.31Å; E879-S887 WeakPolarHBondContact CG-OG 3.35Å; E879-S887 PolarHBondContact OE1-OG 3.29Å; K884-S887 WeakPolarHBondContact O-CB 3.5Å; Q885-S887 VanDerWaalsContact C-N 3.32Å; Q885-S887 PolarHBondContact O-N 3.43Å; S887-A889 PolarHBondContact O-N 3.25Å; S887-A890 WeakPolarHBondContact O-CB 3.39Å; S887-A890 PolarHBondContact O-N 2.83Å; S887-S893 PolarHBondContact OG-OG 3.38Å
888	L	78.2	Confident	82.1	Confident	74 Å²	74	36.1 Å²	36.1	39%	0.387	18%	0.184	S	C	.	.	H	α-helix	trans	-54.5	-30	-176	-73.2	169.1	0	0	0	115.1	R194 K884 Q885 A886	R194-L888 PolarHBondContact NH1-O 2.83Å; R194-L888 VanDerWaalsContact NH1-O 3.15Å; K884-L888 HydrophobicContact CB-CD1 4.25Å; K884-L888 HydrophobicContact CB-CG 4.3Å; K884-L888 VanDerWaalsContact O-CB 3.27Å; K884-L888 WeakPolarHBondContact O-CB 3.29Å; K884-L888 WeakPolarHBondContact O-CD1 3.29Å; K884-L888 WeakPolarHBondContact O-CG 3.18Å; K884-L888 PolarHBondContact O-N 3.48Å; Q885-L888 PolarHBondContact O-N 3.22Å; A886-L888 PolarHBondContact O-N 3.5Å
889	A	77.6	Confident	82.3	Confident	34 Å²	34	36.7 Å²	36.7	28%	0.281	19%	0.186	S	C	.	.	H	α-helix	trans	-90.5	-17.7	178.4	0	0	0	0	0	114.7	V866 Q885 A886 S887	V866-A889 HydrophobicContact CB-CB 4.4Å; V866-A889 HydrophobicContact CG1-CB 3.65Å; V866-A889 HydrophobicContact CG2-CB 4.07Å; Q885-A889 WeakPolarHBondContact O-CB 3.43Å; Q885-A889 PolarHBondContact O-N 2.94Å; A886-A889 PolarHBondContact O-N 3Å; S887-A889 PolarHBondContact O-N 3.25Å
890	A	88.9	Confident	82.9	Confident	2 Å²	2	33.7 Å²	33.7	2%	0.017	17%	0.172	C	C	.	.	S	Bend	trans	-75.5	162.9	-179.3	0	0	0	0	0	113.3	R438 I869 A886 S887 F892	R438-A890 WeakPolarHBondContact CB-O 3.4Å; R438-A890 WeakPolarHBondContact CD-O 3.27Å; I869-A890 HydrophobicContact CG2-CB 3.72Å; A886-A890 VanDerWaalsContact O-CB 3.25Å; A886-A890 WeakPolarHBondContact O-CB 3.38Å; A886-A890 PolarHBondContact O-N 2.81Å; S887-A890 WeakPolarHBondContact O-CB 3.39Å; S887-A890 PolarHBondContact O-N 2.83Å; A890-F892 WeakPolarHBondContact CB-O 3.31Å
891	D	91.1	Very high	84	Confident	8 Å²	8	32.6 Å²	32.6	4%	0.043	16%	0.161	C	C	.	.	S	Bend	trans	-78.9	-35.8	174.6	-60	-56.3	0	0	0	111.4	K356 R438 T439 I442 G875	K356-D891 WeakPolarHBondContact CD-OD2 3.22Å; K356-D891 VanDerWaalsContact CE-OD2 3.31Å; K356-D891 WeakPolarHBondContact CE-OD2 3.43Å; K356-D891 IonicContact NZ-OD2 3.89Å; K356-D891 PolarHBondContact NZ-OD2 3.27Å; R438-D891 WeakPolarHBondContact CA-O 3.49Å; R438-D891 PolarHBondContact N-O 2.89Å; T439-D891 WeakPolarHBondContact CB-OD1 3.29Å; T439-D891 PolarHBondContact N-O 3.3Å; T439-D891 PolarHBondContact OG1-OD1 2.95Å; I442-D891 HydrophobicContact CD1-CB 3.85Å; G875-D891 PolarHBondContact N-OD2 2.88Å; G875-D891 WeakPolarHBondContact O-CA 3.45Å; G875-D891 WeakPolarHBondContact O-CB 3.35Å; G875-D891 PolarHBondContact O-N 3.43Å
892	F	93.6	Very high	85.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.2	176.5	-59.6	-87.5	0	0	0	109.6	I426 V437 I442 L446 G875 I876 G877 A890 L903	I426-F892 HydrophobicContact CD1-CE1 4.17Å; V437-F892 HydrophobicContact CB-CD1 4.42Å; V437-F892 HydrophobicContact CB-CE1 4.41Å; V437-F892 HydrophobicContact CG1-CD1 4.17Å; V437-F892 HydrophobicContact CG1-CE1 3.77Å; V437-F892 HydrophobicContact CG2-CD1 3.9Å; V437-F892 HydrophobicContact CG2-CE1 3.94Å; I442-F892 HydrophobicContact CD1-CE2 4.27Å; I442-F892 HydrophobicContact CG1-CE2 4.18Å; I442-F892 HydrophobicContact CG1-CZ 4.44Å; L446-F892 HydrophobicContact CD1-CD1 4.25Å; L446-F892 HydrophobicContact CD1-CD2 4.48Å; L446-F892 HydrophobicContact CD1-CE1 3.71Å; L446-F892 HydrophobicContact CD1-CE2 3.97Å; L446-F892 HydrophobicContact CD1-CZ 3.57Å; L446-F892 HydrophobicContact CD2-CD2 4.06Å; L446-F892 HydrophobicContact CD2-CE2 3.86Å; L446-F892 HydrophobicContact CD2-CZ 4.33Å; L446-F892 HydrophobicContact CG-CE2 3.93Å; L446-F892 HydrophobicContact CG-CZ 3.94Å; G875-F892 PolarHBondContact O-N 2.82Å; G875-F892 VanDerWaalsContact O-N 3.1Å; I876-F892 CarbonylContact C-O 3.57Å; I876-F892 WeakPolarHBondContact CA-O 3.27Å; I876-F892 HydrophobicContact CG1-CB 4.38Å; G877-F892 PolarHBondContact N-O 3.47Å; A890-F892 WeakPolarHBondContact CB-O 3.31Å; F892-L903 HydrophobicContact CB-CD2 4.36Å
893	S	92.9	Very high	87.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.9	168.7	-145.9	0	0	0	0	108.8	T435 V436 R438 G877 E879 S887	T435-S893 CarbonylContact C-O 3.58Å; T435-S893 WeakPolarHBondContact CA-O 3.31Å; T435-S893 VanDerWaalsContact CG2-O 3.29Å; T435-S893 WeakPolarHBondContact CG2-O 3.48Å; V436-S893 PolarHBondContact N-O 3.1Å; V436-S893 PolarHBondContact O-N 3.06Å; R438-S893 PolarHBondContact NH1-OG 3.45Å; G877-S893 CarbonylContact O-C 3.11Å; G877-S893 WeakPolarHBondContact O-CA 3.36Å; E879-S893 PolarHBondContact OE1-OG 3.15Å; S887-S893 PolarHBondContact OG-OG 3.38Å
894	V	94	Very high	88.7	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.2	165.9	-61.7	0	0	0	0	109.4	T435 I876 G877 I878 E879 H899 L903	T435-V894 HydrophobicContact CG2-CG1 4.17Å; I876-V894 HydrophobicContact CG2-CG1 4.28Å; I876-V894 HydrophobicContact CG2-CG2 3.74Å; G877-V894 PolarHBondContact O-N 3.36Å; I878-V894 CarbonylContact C-O 3.37Å; I878-V894 VanDerWaalsContact CA-O 3.24Å; I878-V894 WeakPolarHBondContact CA-O 3.42Å; I878-V894 HydrophobicContact CG1-CG2 3.86Å; E879-V894 PolarHBondContact N-O 3.38Å; V894-H899 HydrophobicContact CB-CB 4.34Å; V894-H899 HydrophobicContact CG1-CB 4.47Å; V894-L903 HydrophobicContact CG1-CD2 4.08Å
895	S	90.7	Very high	89.9	Confident	38 Å²	38	20.2 Å²	20.2	27%	0.266	10%	0.102	S	C	.	.	S	Bend	trans	-82.8	-29.6	179.3	43.3	0	0	0	0	113.5	P433 H899	P433-S895 PolarHBondContact O-OG 2.77Å; S895-H899 PolarHBondContact OG-CE1 2.77Å; S895-H899 PolarHBondContact OG-ND1 3.15Å
896	Q	92.1	Very high	90.9	Very high	64 Å²	64	18.2 Å²	18.2	30%	0.299	9%	0.093	S	C	.	.	S	Bend	trans	-146.8	154.9	-174	-66.2	178.9	-33.1	0	0	110.5	R898 H899	Q896-R898 VanDerWaalsContact C-N 3.34Å; Q896-R898 HydrophobicContact CB-CG 4.19Å; Q896-R898 PolarHBondContact O-N 2.91Å; Q896-H899 PolarHBondContact O-N 3.48Å
897	F	94.1	Very high	91.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-39.4	-179.7	-172.5	-91.8	0	0	0	113.3	T459 L460 V735 T738 L739 I859 I878 H899 I900	T459-F897 HydrophobicContact CG2-CD2 3.97Å; T459-F897 HydrophobicContact CG2-CE2 4.35Å; T459-F897 WeakPolarHBondContact O-CB 3.43Å; L460-F897 HydrophobicContact CD2-CD1 4.34Å; L460-F897 HydrophobicContact CD2-CD2 3.93Å; L460-F897 HydrophobicContact CD2-CE1 4.03Å; L460-F897 HydrophobicContact CD2-CE2 3.59Å; L460-F897 HydrophobicContact CD2-CG 4.31Å; L460-F897 HydrophobicContact CD2-CZ 3.65Å; V735-F897 HydrophobicContact CB-CD1 4.42Å; V735-F897 HydrophobicContact CG1-CD1 4.37Å; V735-F897 HydrophobicContact CG1-CE1 4.44Å; V735-F897 HydrophobicContact CG2-CB 4.18Å; V735-F897 HydrophobicContact CG2-CD1 3.96Å; V735-F897 HydrophobicContact CG2-CG 4.28Å; T738-F897 HydrophobicContact CG2-CD1 4.04Å; T738-F897 HydrophobicContact CG2-CE1 3.81Å; L739-F897 HydrophobicContact CD2-CE1 3.91Å; L739-F897 HydrophobicContact CD2-CZ 3.69Å; L739-F897 HydrophobicContact CG-CE1 4.07Å; L739-F897 HydrophobicContact CG-CZ 4.35Å; I859-F897 HydrophobicContact CD1-CD2 4.19Å; I859-F897 HydrophobicContact CD1-CE2 4.48Å; I859-F897 HydrophobicContact CG2-CE2 4.33Å; I878-F897 HydrophobicContact CD1-CB 4.22Å; I878-F897 HydrophobicContact CD1-CD2 4.37Å; F897-H899 PolarHBondContact O-N 2.9Å; F897-I900 HydrophobicContact CD1-CD1 4.26Å; F897-I900 HydrophobicContact CD2-CD1 3.44Å; F897-I900 VanDerWaalsContact CD2-CD1 3.44Å; F897-I900 HydrophobicContact CE1-CD1 4.32Å; F897-I900 HydrophobicContact CE2-CD1 3.51Å; F897-I900 HydrophobicContact CG-CD1 3.83Å; F897-I900 HydrophobicContact CZ-CD1 3.96Å; F897-I900 WeakPolarHBondContact O-CB 3.22Å; F897-I900 WeakPolarHBondContact O-CD1 3.28Å; F897-I900 WeakPolarHBondContact O-CG1 3.15Å; F897-I900 PolarHBondContact O-N 3.36Å; F897-I900 VanDerWaalsContact O-N 3.07Å
898	R	93.9	Very high	92.3	Very high	94 Å²	94	19.3 Å²	19.3	36%	0.355	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.6	-178.9	66.5	178.8	178.9	176.7	-2.7	114.9	D734 T738 Q896 I900 G901	D734-R898 HydrophobicContact CB-CB 3.9Å; D734-R898 WeakPolarHBondContact OD2-CD 3.46Å; D734-R898 IonicContact OD2-NH1 3.86Å; D734-R898 PolarHBondContact OD2-NH1 2.96Å; D734-R898 VanDerWaalsContact OD2-NH1 3.11Å; T738-R898 WeakPolarHBondContact OG1-CA 3.31Å; Q896-R898 VanDerWaalsContact C-N 3.34Å; Q896-R898 HydrophobicContact CB-CG 4.19Å; Q896-R898 PolarHBondContact O-N 2.91Å; R898-I900 PolarHBondContact O-N 2.95Å; R898-G901 PolarHBondContact O-N 3.1Å
899	H	95.2	Very high	93	Very high	12 Å²	12	16.2 Å²	16.2	6%	0.056	8%	0.081	C	C	.	.	H	α-helix	trans	-67.2	-19.5	-179.5	-62.8	154.8	0	0	0	112.8	I432 V894 S895 Q896 F897 G901 R902 L903	I432-H899 HydrophobicContact CB-CB 4.24Å; I432-H899 HydrophobicContact CG2-CB 3.64Å; V894-H899 HydrophobicContact CB-CB 4.34Å; V894-H899 HydrophobicContact CG1-CB 4.47Å; S895-H899 PolarHBondContact OG-CE1 2.77Å; S895-H899 PolarHBondContact OG-ND1 3.15Å; Q896-H899 PolarHBondContact O-N 3.48Å; F897-H899 PolarHBondContact O-N 2.9Å; H899-G901 VanDerWaalsContact C-N 3.29Å; H899-G901 PolarHBondContact O-N 2.93Å; H899-R902 PolarHBondContact O-N 3.32Å; H899-L903 WeakPolarHBondContact O-CB 3.07Å; H899-L903 PolarHBondContact O-N 2.96Å
900	I	95.2	Very high	93.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.7	-39	176.6	-59.1	159.9	0	0	0	111.3	L742 I859 I876 F897 R898 R902 L903 L904	L742-I900 HydrophobicContact CD1-CG2 4.38Å; L742-I900 HydrophobicContact CD2-CG2 4.37Å; I859-I900 HydrophobicContact CD1-CD1 3.12Å; I859-I900 HydrophobicContact CD1-CG1 3.8Å; I876-I900 HydrophobicContact CD1-CG2 4.5Å; F897-I900 HydrophobicContact CD1-CD1 4.26Å; F897-I900 HydrophobicContact CD2-CD1 3.44Å; F897-I900 VanDerWaalsContact CD2-CD1 3.44Å; F897-I900 HydrophobicContact CE1-CD1 4.32Å; F897-I900 HydrophobicContact CE2-CD1 3.51Å; F897-I900 HydrophobicContact CG-CD1 3.83Å; F897-I900 HydrophobicContact CZ-CD1 3.96Å; F897-I900 WeakPolarHBondContact O-CB 3.22Å; F897-I900 WeakPolarHBondContact O-CD1 3.28Å; F897-I900 WeakPolarHBondContact O-CG1 3.15Å; F897-I900 PolarHBondContact O-N 3.36Å; F897-I900 VanDerWaalsContact O-N 3.07Å; R898-I900 PolarHBondContact O-N 2.95Å; I900-R902 VanDerWaalsContact C-N 3.31Å; I900-R902 PolarHBondContact O-N 3.21Å; I900-L903 PolarHBondContact O-N 3.4Å; I900-L904 HydrophobicContact CG2-CD1 3.76Å; I900-L904 HydrophobicContact CG2-CG 3.93Å; I900-L904 WeakPolarHBondContact O-CG 3.35Å; I900-L904 PolarHBondContact O-N 3.01Å
901	G	94.3	Very high	94	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-54.9	-49.6	-179.8	0	0	0	0	0	111.2	R898 H899 M905	R898-G901 PolarHBondContact O-N 3.1Å; H899-G901 VanDerWaalsContact C-N 3.29Å; H899-G901 PolarHBondContact O-N 2.93Å; G901-M905 VanDerWaalsContact O-CB 3.26Å; G901-M905 WeakPolarHBondContact O-CB 3.49Å; G901-M905 WeakPolarHBondContact O-CG 3.42Å; G901-M905 PolarHBondContact O-N 3.26Å
902	R	95.4	Very high	94.1	Very high	45 Å²	45	14.9 Å²	14.9	17%	0.17	7%	0.069	C	C	.	.	H	α-helix	trans	-70.7	-40.6	176.4	-174	170.2	175.4	105.6	-6.2	113.1	D429 N431 I432 H899 I900 L904 V906 H907	D429-R902 IonicContact OD1-CZ 3.62Å; D429-R902 IonicContact OD1-NE 2.79Å; D429-R902 IonicContact OD1-NH2 2.82Å; D429-R902 PolarHBondContact OD1-NH2 2.89Å; D429-R902 IonicContact OD2-CZ 3.21Å; D429-R902 IonicContact OD2-NE 3.98Å; D429-R902 PolarHBondContact OD2-NE 2.96Å; D429-R902 IonicContact OD2-NH2 3.54Å; D429-R902 PolarHBondContact OD2-NH2 3.31Å; D429-R902 VanDerWaalsContact OD2-NH2 3.09Å; N431-R902 VanDerWaalsContact ND2-CZ 3.34Å; N431-R902 PolarHBondContact ND2-NH2 3.39Å; N431-R902 VanDerWaalsContact ND2-NH2 3.1Å; I432-R902 HydrophobicContact CG2-CB 4.09Å; I432-R902 HydrophobicContact CG2-CG 4.37Å; H899-R902 PolarHBondContact O-N 3.32Å; I900-R902 VanDerWaalsContact C-N 3.31Å; I900-R902 PolarHBondContact O-N 3.21Å; R902-L904 VanDerWaalsContact C-N 3.3Å; R902-L904 PolarHBondContact O-N 3.39Å; R902-V906 HydrophobicContact CG-CB 4.28Å; R902-V906 HydrophobicContact CG-CG2 4.02Å; R902-V906 WeakPolarHBondContact O-CB 3.39Å; R902-V906 PolarHBondContact O-N 3.42Å; R902-H907 PolarHBondContact O-N 2.74Å
903	L	96.1	Very high	94	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-56.6	-43.2	178.2	-178.4	62.7	0	0	0	111.8	I426 L446 I876 F892 V894 H899 I900 H907 G908	I426-L903 HydrophobicContact CD1-CD1 4.48Å; I426-L903 HydrophobicContact CG2-CD1 3.82Å; L446-L903 HydrophobicContact CD1-CD1 3.88Å; L446-L903 HydrophobicContact CD1-CG 4.07Å; I876-L903 HydrophobicContact CD1-CD2 4.09Å; F892-L903 HydrophobicContact CB-CD2 4.36Å; V894-L903 HydrophobicContact CG1-CD2 4.08Å; H899-L903 WeakPolarHBondContact O-CB 3.07Å; H899-L903 PolarHBondContact O-N 2.96Å; I900-L903 PolarHBondContact O-N 3.4Å; L903-H907 HydrophobicContact CD1-CB 4.47Å; L903-H907 WeakPolarHBondContact O-CB 3.33Å; L903-H907 PolarHBondContact O-N 3.47Å; L903-G908 PolarHBondContact O-N 3.42Å
904	L	95.5	Very high	94	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	8%	0.084	C	C	.	.	I	π-helix	trans	-82.2	-52.9	-179.2	-60.7	-171.1	0	0	0	112.6	L446 L449 L742 I747 I900 R902 V906 G908 R909 Y986	L446-L904 HydrophobicContact CB-CD2 3.96Å; L446-L904 HydrophobicContact CD2-CD2 3.63Å; L446-L904 HydrophobicContact CG-CD2 4.36Å; L449-L904 HydrophobicContact CD1-CD1 4.15Å; L449-L904 HydrophobicContact CD1-CD2 3.62Å; L742-L904 HydrophobicContact CD2-CD1 3.78Å; I747-L904 HydrophobicContact CD1-CD1 3.91Å; I900-L904 HydrophobicContact CG2-CD1 3.76Å; I900-L904 HydrophobicContact CG2-CG 3.93Å; I900-L904 WeakPolarHBondContact O-CG 3.35Å; I900-L904 PolarHBondContact O-N 3.01Å; R902-L904 VanDerWaalsContact C-N 3.3Å; R902-L904 PolarHBondContact O-N 3.39Å; L904-V906 PolarHBondContact O-N 2.99Å; L904-G908 WeakPolarHBondContact O-CA 3.49Å; L904-G908 PolarHBondContact O-N 3.29Å; L904-R909 PolarHBondContact O-N 3.02Å; L904-Y986 HydrophobicContact CB-CE2 4.29Å
905	M	94.6	Very high	94	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.02	8%	0.084	C	C	.	.	I	π-helix	trans	-68.6	-34.9	-171.7	-60.9	-51.4	140.1	0	0	112.7	L741 L742 A745 I747 G901 R909 L980 P983 Y986	L741-M905 HydrophobicContact CD2-CG 4.09Å; L741-M905 HydrophobicContact CG-CG 4.38Å; L742-M905 HydrophobicContact CD2-CE 3.81Å; A745-M905 HydrophobicContact CB-CE 3.26Å; A745-M905 HydrophobicContact CB-SD 3.75Å; I747-M905 HydrophobicContact CD1-CE 4.06Å; G901-M905 VanDerWaalsContact O-CB 3.26Å; G901-M905 WeakPolarHBondContact O-CB 3.49Å; G901-M905 WeakPolarHBondContact O-CG 3.42Å; G901-M905 PolarHBondContact O-N 3.26Å; M905-R909 WeakPolarHBondContact O-CB 3.36Å; M905-L980 HydrophobicContact CB-CD2 4.15Å; M905-P983 HydrophobicContact SD-CB 4.32Å; M905-Y986 HydrophobicContact CE-CD2 4.29Å; M905-Y986 HydrophobicContact CE-CG 4.23Å; M905-Y986 HydrophobicContact SD-CD2 3.87Å; M905-Y986 HydrophobicContact SD-CG 3.88Å
906	V	94.8	Very high	94	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.03	7%	0.073	C	C	.	.	I	π-helix	trans	-98	-65.4	-178.6	-175.8	0	0	0	0	110.5	R902 L904 N910 P976 A979 L980	R902-V906 HydrophobicContact CG-CB 4.28Å; R902-V906 HydrophobicContact CG-CG2 4.02Å; R902-V906 WeakPolarHBondContact O-CB 3.39Å; R902-V906 PolarHBondContact O-N 3.42Å; L904-V906 PolarHBondContact O-N 2.99Å; V906-N910 VanDerWaalsContact O-CB 3.28Å; V906-N910 WeakPolarHBondContact O-CB 3.48Å; V906-N910 PolarHBondContact O-N 3.43Å; V906-N910 PolarHBondContact O-ND2 3.29Å; V906-P976 HydrophobicContact CG1-CB 3.99Å; V906-P976 HydrophobicContact CG1-CG 4.21Å; V906-P976 HydrophobicContact CG2-CB 4.13Å; V906-A979 HydrophobicContact CG2-CB 4.39Å; V906-L980 HydrophobicContact CG2-CG 4.2Å
907	H	95.4	Very high	93.9	Very high	22 Å²	22	15.2 Å²	15.2	10%	0.102	7%	0.07	C	C	.	.	I	π-helix	trans	-72.2	-43.3	-171.1	-70.1	-68.3	0	0	0	112.9	I426 D429 R902 L903 N910 S911	I426-H907 HydrophobicContact CD1-CB 4.12Å; I426-H907 HydrophobicContact CG1-CB 3.72Å; D429-H907 IonicContact OD2-CD2 2.87Å; D429-H907 IonicContact OD2-CE1 3.2Å; D429-H907 IonicContact OD2-NE2 2.81Å; D429-H907 PolarHBondContact OD2-NE2 3.39Å; R902-H907 PolarHBondContact O-N 2.74Å; L903-H907 HydrophobicContact CD1-CB 4.47Å; L903-H907 WeakPolarHBondContact O-CB 3.33Å; L903-H907 PolarHBondContact O-N 3.47Å; H907-N910 PolarHBondContact O-N 3Å; H907-S911 VanDerWaalsContact O-CB 3.25Å; H907-S911 WeakPolarHBondContact O-CB 3.37Å; H907-S911 PolarHBondContact O-N 3.24Å; H907-S911 PolarHBondContact O-OG 3Å
908	G	94.5	Very high	93.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	I	π-helix	trans	-62.1	-46.8	177.1	0	0	0	0	0	112.4	L446 G447 L903 L904 S911 Y912	L446-G908 VanDerWaalsContact CB-CA 3.47Å; G447-G908 VanDerWaalsContact CA-C 3.43Å; G447-G908 VanDerWaalsContact CA-O 3.3Å; G447-G908 WeakPolarHBondContact CA-O 3.47Å; G447-G908 PolarHBondContact N-O 2.86Å; L903-G908 PolarHBondContact O-N 3.42Å; L904-G908 WeakPolarHBondContact O-CA 3.49Å; L904-G908 PolarHBondContact O-N 3.29Å; G908-S911 PolarHBondContact O-N 3.1Å; G908-Y912 PolarHBondContact O-N 3.46Å; G908-Y912 VanDerWaalsContact O-N 3.07Å
909	R	93.1	Very high	93.7	Very high	9 Å²	9	10.8 Å²	10.8	3%	0.034	5%	0.053	C	C	.	.	H	α-helix	trans	-54.7	-55.2	173.2	174	-177.2	-171.4	89.9	-1.9	112	L904 M905 S911 Y912 K913 D973 L985 L989	L904-R909 PolarHBondContact O-N 3.02Å; M905-R909 WeakPolarHBondContact O-CB 3.36Å; R909-S911 VanDerWaalsContact C-N 3.34Å; R909-S911 PolarHBondContact O-N 3.04Å; R909-Y912 PolarHBondContact O-N 2.92Å; R909-K913 HydrophobicContact CG-CG 4.45Å; R909-K913 WeakPolarHBondContact O-CB 3.38Å; R909-K913 PolarHBondContact O-N 3.35Å; R909-D973 IonicContact CZ-OD2 3.31Å; R909-D973 IonicContact NE-OD1 3.54Å; R909-D973 PolarHBondContact NE-OD1 3.06Å; R909-D973 IonicContact NE-OD2 3.41Å; R909-D973 PolarHBondContact NE-OD2 3.38Å; R909-D973 IonicContact NH2-OD2 2.67Å; R909-D973 PolarHBondContact NH2-OD2 3.31Å; R909-L985 VanDerWaalsContact NH1-C 3.29Å; R909-L985 PolarHBondContact NH1-O 3.46Å; R909-L989 HydrophobicContact CB-CD1 3.81Å; R909-L989 HydrophobicContact CG-CD1 3.83Å; R909-L989 HydrophobicContact CG-CD2 4.46Å
910	N	93.1	Very high	93.4	Very high	11 Å²	11	11.1 Å²	11.1	6%	0.059	6%	0.055	C	C	.	.	H	α-helix	trans	-61	-45.7	-176.4	-76.3	-23	0	0	0	110.5	V906 H907 Y912 K913 R914	V906-N910 VanDerWaalsContact O-CB 3.28Å; V906-N910 WeakPolarHBondContact O-CB 3.48Å; V906-N910 PolarHBondContact O-N 3.43Å; V906-N910 PolarHBondContact O-ND2 3.29Å; H907-N910 PolarHBondContact O-N 3Å; N910-Y912 PolarHBondContact O-N 3.28Å; N910-K913 PolarHBondContact O-N 3.45Å; N910-R914 WeakPolarHBondContact O-CB 3.43Å; N910-R914 VanDerWaalsContact O-CD 3.26Å; N910-R914 WeakPolarHBondContact O-CD 3.19Å; N910-R914 WeakPolarHBondContact O-CG 3.48Å; N910-R914 PolarHBondContact O-N 3.49Å
911	S	94.3	Very high	93.2	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.021	6%	0.057	C	C	.	.	H	α-helix	trans	-58.7	-44	179.1	-59.4	0	0	0	0	112.3	P443 H907 G908 R909 S915	P443-S911 WeakPolarHBondContact O-CB 3.41Å; H907-S911 VanDerWaalsContact O-CB 3.25Å; H907-S911 WeakPolarHBondContact O-CB 3.37Å; H907-S911 PolarHBondContact O-N 3.24Å; H907-S911 PolarHBondContact O-OG 3Å; G908-S911 PolarHBondContact O-N 3.1Å; R909-S911 VanDerWaalsContact C-N 3.34Å; R909-S911 PolarHBondContact O-N 3.04Å; S911-S915 WeakPolarHBondContact O-CB 2.97Å; S911-S915 PolarHBondContact O-N 3.45Å; S911-S915 VanDerWaalsContact O-N 3.11Å; S911-S915 PolarHBondContact O-OG 3.41Å
912	Y	93.8	Very high	93.1	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-68.3	-48.5	176.6	175.6	-110.3	0	0	0	112.5	L360 R448 G908 R909 N910 R914 S915 A916 L989	L360-Y912 HydrophobicContact CD1-CD2 3.88Å; L360-Y912 HydrophobicContact CD1-CE2 3.93Å; R448-Y912 HydrophobicContact CG-CD2 3.84Å; R448-Y912 HydrophobicContact CG-CE2 4.05Å; R448-Y912 HydrophobicContact CG-CG 4.15Å; R448-Y912 PolarHBondContact NH1-OH 2.83Å; G908-Y912 PolarHBondContact O-N 3.46Å; G908-Y912 VanDerWaalsContact O-N 3.07Å; R909-Y912 PolarHBondContact O-N 2.92Å; N910-Y912 PolarHBondContact O-N 3.28Å; Y912-R914 PolarHBondContact O-N 2.68Å; Y912-S915 PolarHBondContact O-N 3.04Å; Y912-A916 WeakPolarHBondContact O-CB 3.37Å; Y912-A916 PolarHBondContact O-N 2.98Å; Y912-L989 HydrophobicContact CD1-CB 4.28Å; Y912-L989 HydrophobicContact CD1-CD2 4.11Å; Y912-L989 HydrophobicContact CE1-CB 4.49Å; Y912-L989 HydrophobicContact CE1-CD2 4.5Å
913	K	91.4	Very high	92.9	Very high	57 Å²	57	9.4 Å²	9.4	25%	0.248	5%	0.048	C	C	.	.	H	α-helix	trans	-62.2	-44.8	-178.6	-78.6	-71.5	-171.4	-174	0	112.3	R909 N910 A916 A917 L989 S994	R909-K913 HydrophobicContact CG-CG 4.45Å; R909-K913 WeakPolarHBondContact O-CB 3.38Å; R909-K913 PolarHBondContact O-N 3.35Å; N910-K913 PolarHBondContact O-N 3.45Å; K913-A916 PolarHBondContact O-N 3.02Å; K913-A917 PolarHBondContact O-N 3.37Å; K913-L989 HydrophobicContact CD-CD2 4.21Å; K913-L989 HydrophobicContact CG-CD2 4.1Å; K913-S994 PolarHBondContact NZ-OG 3.41Å
914	R	92.8	Very high	92.7	Very high	20 Å²	20	9.4 Å²	9.4	8%	0.075	5%	0.048	C	C	.	.	H	α-helix	trans	-67	-45	179.4	-66.8	164.3	174.1	-174.1	-3.9	111.4	Y422 N910 Y912 A916 A917 L918 V969 L970 D971	Y422-R914 HydrophobicContact CE1-CB 3.95Å; Y422-R914 HydrophobicContact CE1-CG 4.47Å; Y422-R914 WeakPolarHBondContact OH-CB 3.26Å; N910-R914 WeakPolarHBondContact O-CB 3.43Å; N910-R914 VanDerWaalsContact O-CD 3.26Å; N910-R914 WeakPolarHBondContact O-CD 3.19Å; N910-R914 WeakPolarHBondContact O-CG 3.48Å; N910-R914 PolarHBondContact O-N 3.49Å; Y912-R914 PolarHBondContact O-N 2.68Å; R914-A916 PolarHBondContact O-N 3.2Å; R914-A917 PolarHBondContact O-N 3.13Å; R914-L918 VanDerWaalsContact O-CB 3.27Å; R914-L918 WeakPolarHBondContact O-CB 3.15Å; R914-L918 PolarHBondContact O-N 3.22Å; R914-V969 WeakPolarHBondContact CD-O 3.36Å; R914-V969 PolarHBondContact NE-O 3.4Å; R914-V969 PolarHBondContact NH1-O 3.04Å; R914-L970 PolarHBondContact NH2-O 3.15Å; R914-D971 VanDerWaalsContact CZ-O 3.3Å; R914-D971 PolarHBondContact NE-O 3.27Å; R914-D971 PolarHBondContact NH2-O 3.21Å; R914-D971 VanDerWaalsContact NH2-O 3.08Å
915	S	93.2	Very high	92.4	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.007	5%	0.049	C	C	.	.	H	α-helix	trans	-61	-41.6	175.5	-64.9	0	0	0	0	112.9	Y422 S911 Y912 G919	Y422-S915 VanDerWaalsContact CE2-OG 3.24Å; Y422-S915 WeakPolarHBondContact CE2-OG 3.44Å; Y422-S915 PolarHBondContact OH-N 3.5Å; S911-S915 WeakPolarHBondContact O-CB 2.97Å; S911-S915 PolarHBondContact O-N 3.45Å; S911-S915 VanDerWaalsContact O-N 3.11Å; S911-S915 PolarHBondContact O-OG 3.41Å; Y912-S915 PolarHBondContact O-N 3.04Å; S915-G919 PolarHBondContact O-N 3.09Å
916	A	91.7	Very high	92.2	Very high	2 Å²	2	9.6 Å²	9.6	2%	0.017	5%	0.05	C	C	.	.	H	α-helix	trans	-64.6	-43	177.2	0	0	0	0	0	111.9	Y912 K913 R914 Q920 L995	Y912-A916 WeakPolarHBondContact O-CB 3.37Å; Y912-A916 PolarHBondContact O-N 2.98Å; K913-A916 PolarHBondContact O-N 3.02Å; R914-A916 PolarHBondContact O-N 3.2Å; A916-Q920 WeakPolarHBondContact O-CG 3.43Å; A916-Q920 PolarHBondContact O-N 2.97Å; A916-Q920 VanDerWaalsContact O-N 3.13Å; A916-L995 HydrophobicContact CB-CB 4.36Å
917	A	90.1	Very high	92.1	Very high	29 Å²	29	9.9 Å²	9.9	24%	0.24	5%	0.051	C	C	.	.	H	α-helix	trans	-64.2	-49.3	175.9	0	0	0	0	0	111.4	K913 R914 G919 Q920 F921	K913-A917 PolarHBondContact O-N 3.37Å; R914-A917 PolarHBondContact O-N 3.13Å; A917-G919 VanDerWaalsContact C-N 3.34Å; A917-G919 PolarHBondContact O-N 2.92Å; A917-Q920 PolarHBondContact O-N 3.47Å; A917-F921 WeakPolarHBondContact O-CD2 3.47Å; A917-F921 PolarHBondContact O-N 3.4Å
918	L	92	Very high	92.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-56.7	-46.4	177.9	-177.9	61.8	0	0	0	111.7	N414 L415 R914 Q920 F921 V922 V965 V969	N414-L918 HydrophobicContact CB-CD1 4.34Å; N414-L918 HydrophobicContact CB-CD2 4.19Å; N414-L918 HydrophobicContact CB-CG 4.34Å; N414-L918 WeakPolarHBondContact O-CD2 3.09Å; L415-L918 HydrophobicContact CD2-CD2 4.28Å; L415-L918 HydrophobicContact CD2-CG 4.48Å; R914-L918 VanDerWaalsContact O-CB 3.27Å; R914-L918 WeakPolarHBondContact O-CB 3.15Å; R914-L918 PolarHBondContact O-N 3.22Å; L918-Q920 PolarHBondContact O-N 3.42Å; L918-F921 PolarHBondContact O-N 3.27Å; L918-V922 HydrophobicContact CD1-CG2 4.19Å; L918-V922 VanDerWaalsContact O-CG2 3.28Å; L918-V922 WeakPolarHBondContact O-CG2 3.15Å; L918-V922 PolarHBondContact O-N 2.96Å; L918-V965 HydrophobicContact CD1-CG1 3.66Å; L918-V965 VanDerWaalsContact CD1-O 3.3Å; L918-V965 WeakPolarHBondContact CD1-O 3.34Å; L918-V969 HydrophobicContact CD2-CG2 4.07Å
919	G	91	Very high	92	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-61.5	-43	177.7	0	0	0	0	0	113	S915 A917 M923	S915-G919 PolarHBondContact O-N 3.09Å; A917-G919 VanDerWaalsContact C-N 3.34Å; A917-G919 PolarHBondContact O-N 2.92Å; G919-M923 VanDerWaalsContact O-CE 3.28Å; G919-M923 WeakPolarHBondContact O-CE 3.47Å; G919-M923 WeakPolarHBondContact O-CG 3.45Å; G919-M923 PolarHBondContact O-N 2.82Å; G919-M923 VanDerWaalsContact O-N 3.1Å
920	Q	90.3	Very high	91.9	Very high	20 Å²	20	9 Å²	9	9%	0.093	5%	0.049	C	C	.	.	H	α-helix	trans	-64.3	-44.3	176.6	-74.8	174.4	-6.3	0	0	112.3	A916 A917 L918 M923 H924 S994 L995 W1003	A916-Q920 WeakPolarHBondContact O-CG 3.43Å; A916-Q920 PolarHBondContact O-N 2.97Å; A916-Q920 VanDerWaalsContact O-N 3.13Å; A917-Q920 PolarHBondContact O-N 3.47Å; L918-Q920 PolarHBondContact O-N 3.42Å; Q920-M923 PolarHBondContact O-N 2.96Å; Q920-H924 WeakPolarHBondContact O-CB 3.43Å; Q920-H924 PolarHBondContact O-N 2.93Å; Q920-S994 PolarHBondContact NE2-O 3.32Å; Q920-L995 HydrophobicContact CG-CD1 4.07Å; Q920-W1003 HydrophobicContact CB-CD2 4.47Å; Q920-W1003 HydrophobicContact CB-CG 4.37Å
921	F	90.6	Very high	92	Very high	8 Å²	8	9.6 Å²	9.6	4%	0.035	5%	0.053	C	C	.	.	H	α-helix	trans	-62.9	-45.6	177.7	-95.5	-73	0	0	0	112.9	A917 L918 M923 H924 R925 V965 L968 W1003 M1044 T1048	A917-F921 WeakPolarHBondContact O-CD2 3.47Å; A917-F921 PolarHBondContact O-N 3.4Å; L918-F921 PolarHBondContact O-N 3.27Å; F921-M923 VanDerWaalsContact C-N 3.31Å; F921-M923 PolarHBondContact O-N 3.41Å; F921-H924 WeakPolarHBondContact O-CB 3.28Å; F921-H924 PolarHBondContact O-N 2.73Å; F921-R925 PolarHBondContact O-N 3.01Å; F921-V965 HydrophobicContact CB-CG1 4.24Å; F921-L968 HydrophobicContact CB-CD1 4.22Å; F921-L968 HydrophobicContact CD2-CD1 3.48Å; F921-L968 VanDerWaalsContact CD2-CD1 3.48Å; F921-L968 HydrophobicContact CE2-CD1 4.03Å; F921-L968 HydrophobicContact CG-CD1 3.87Å; F921-W1003 HydrophobicContact CD1-CH2 4.4Å; F921-W1003 HydrophobicContact CD2-CH2 4.37Å; F921-W1003 AromaticContact CE1-CH2 3.82Å; F921-W1003 HydrophobicContact CE1-CH2 3.82Å; F921-W1003 HydrophobicContact CE1-CZ3 4.17Å; F921-W1003 AromaticContact CE2-CH2 3.79Å; F921-W1003 HydrophobicContact CE2-CH2 3.79Å; F921-W1003 HydrophobicContact CE2-CZ2 4.12Å; F921-W1003 AromaticContact CZ-CH2 3.45Å; F921-W1003 HydrophobicContact CZ-CH2 3.45Å; F921-W1003 VanDerWaalsContact CZ-CH2 3.45Å; F921-W1003 HydrophobicContact CZ-CZ2 4.23Å; F921-W1003 HydrophobicContact CZ-CZ3 4.26Å; F921-M1044 HydrophobicContact CE1-CG 4.1Å; F921-T1048 HydrophobicContact CE1-CG2 4.45Å; F921-T1048 HydrophobicContact CE2-CG2 4.27Å; F921-T1048 HydrophobicContact CZ-CG2 3.51Å; F921-T1048 WeakPolarHBondContact CZ-OG1 3.43Å
922	V	91.5	Very high	92	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.4	-38.1	179.4	177	0	0	0	0	110.9	P408 S410 L411 N414 L918 R925 G926 V965	P408-V922 HydrophobicContact CB-CG1 3.79Å; P408-V922 HydrophobicContact CG-CG1 3.95Å; P408-V922 WeakPolarHBondContact CG-O 3.3Å; S410-V922 WeakPolarHBondContact OG-CG1 3.43Å; L411-V922 HydrophobicContact CB-CG1 3.95Å; L411-V922 HydrophobicContact CD1-CB 3.99Å; L411-V922 HydrophobicContact CD1-CG1 4.07Å; N414-V922 HydrophobicContact CB-CG2 4.21Å; L918-V922 HydrophobicContact CD1-CG2 4.19Å; L918-V922 VanDerWaalsContact O-CG2 3.28Å; L918-V922 WeakPolarHBondContact O-CG2 3.15Å; L918-V922 PolarHBondContact O-N 2.96Å; V922-R925 WeakPolarHBondContact O-CB 3.34Å; V922-G926 PolarHBondContact O-N 2.95Å; V922-V965 HydrophobicContact CG2-CG1 3.68Å
923	M	90.9	Very high	92	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-64.3	-44.6	173.3	-75.2	-174.2	-76.1	0	0	112.3	L364 L367 L371 L411 G919 Q920 F921 R925 G926 M927 F1000	L364-M923 HydrophobicContact CD2-CE 3.82Å; L367-M923 HydrophobicContact CB-SD 4.49Å; L367-M923 HydrophobicContact CD1-CE 4.14Å; L371-M923 HydrophobicContact CD1-CG 4.25Å; L371-M923 HydrophobicContact CD1-SD 3.89Å; L411-M923 HydrophobicContact CD1-CG 4.46Å; L411-M923 HydrophobicContact CD2-CG 4.19Å; G919-M923 VanDerWaalsContact O-CE 3.28Å; G919-M923 WeakPolarHBondContact O-CE 3.47Å; G919-M923 WeakPolarHBondContact O-CG 3.45Å; G919-M923 PolarHBondContact O-N 2.82Å; G919-M923 VanDerWaalsContact O-N 3.1Å; Q920-M923 PolarHBondContact O-N 2.96Å; F921-M923 VanDerWaalsContact C-N 3.31Å; F921-M923 PolarHBondContact O-N 3.41Å; M923-R925 VanDerWaalsContact C-N 3.32Å; M923-R925 PolarHBondContact O-N 3.04Å; M923-G926 PolarHBondContact O-N 3.37Å; M923-M927 HydrophobicContact CB-CE 4.27Å; M923-M927 WeakPolarHBondContact O-CG 3.43Å; M923-M927 PolarHBondContact O-N 2.68Å; M923-M927 VanDerWaalsContact O-N 3.1Å; M923-F1000 HydrophobicContact CE-CD2 4.34Å; M923-F1000 HydrophobicContact SD-CD2 4.27Å; M923-F1000 HydrophobicContact SD-CE2 3.97Å
924	H	91.5	Very high	92	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-54.2	-47.4	176.5	171.5	57.6	0	0	0	112.3	Q920 F921 G926 M927 I928 W1003 S1007 Q1010	Q920-H924 WeakPolarHBondContact O-CB 3.43Å; Q920-H924 PolarHBondContact O-N 2.93Å; F921-H924 WeakPolarHBondContact O-CB 3.28Å; F921-H924 PolarHBondContact O-N 2.73Å; H924-G926 VanDerWaalsContact C-N 3.31Å; H924-G926 PolarHBondContact O-N 3.27Å; H924-M927 PolarHBondContact O-N 2.85Å; H924-I928 WeakPolarHBondContact CE1-CD1 3.17Å; H924-I928 VanDerWaalsContact NE2-CD1 3.25Å; H924-I928 WeakPolarHBondContact NE2-CD1 3.33Å; H924-I928 PolarHBondContact O-N 3.04Å; H924-W1003 HydrophobicContact CB-CE3 3.97Å; H924-W1003 HydrophobicContact CB-CZ3 4.33Å; H924-W1003 AromaticContact CD2-CZ3 3.95Å; H924-W1003 AromaticContact CG-CE3 3.88Å; H924-S1007 PolarHBondContact ND1-OG 3.26Å; H924-Q1010 PolarHBondContact CE1-OE1 2.95Å; H924-Q1010 PolarHBondContact NE2-OE1 2.74Å
925	R	90.9	Very high	92.1	Very high	5 Å²	5	8.8 Å²	8.8	2%	0.019	6%	0.055	C	C	.	.	H	α-helix	trans	-52.5	-44.4	176.7	-169.3	-178.4	70.1	165.6	10.4	113.4	S410 F921 V922 M923 Y956 A957 T961	S410-R925 VanDerWaalsContact CB-NH2 3.33Å; S410-R925 PolarHBondContact OG-NH2 2.86Å; F921-R925 PolarHBondContact O-N 3.01Å; V922-R925 WeakPolarHBondContact O-CB 3.34Å; M923-R925 VanDerWaalsContact C-N 3.32Å; M923-R925 PolarHBondContact O-N 3.04Å; R925-Y956 HydrophobicContact CG-CE1 3.46Å; R925-Y956 VanDerWaalsContact CG-CE1 3.46Å; R925-Y956 VanDerWaalsContact CG-CZ 3.47Å; R925-Y956 WeakPolarHBondContact CG-OH 3.49Å; R925-Y956 PolarHBondContact O-OH 3.42Å; R925-A957 PolarHBondContact NH1-O 2.84Å; R925-A957 PolarHBondContact NH2-O 3.44Å; R925-T961 WeakPolarHBondContact CD-OG1 3.21Å; R925-T961 PolarHBondContact NH1-OG1 3.15Å
926	G	90.6	Very high	92	Very high	5 Å²	5	9.7 Å²	9.7	5%	0.052	6%	0.059	C	C	.	.	H	α-helix	trans	-70	-39	177	0	0	0	0	0	113.1	Y405 V922 M923 H924 S930	Y405-G926 CarbonylContact O-C 3.56Å; Y405-G926 WeakPolarHBondContact O-CA 3.28Å; V922-G926 PolarHBondContact O-N 2.95Å; M923-G926 PolarHBondContact O-N 3.37Å; H924-G926 VanDerWaalsContact C-N 3.31Å; H924-G926 PolarHBondContact O-N 3.27Å; G926-S930 PolarHBondContact O-N 3.47Å
927	M	92.6	Very high	92	Very high	10 Å²	10	9.6 Å²	9.6	5%	0.049	6%	0.058	C	C	.	.	H	α-helix	trans	-68.9	-34.7	-178.9	-70.9	-172.3	-70.8	0	0	113.4	L371 I406 M923 H924 S930 T931 V1004 S1007	L371-M927 HydrophobicContact CD2-CG 4.4Å; L371-M927 HydrophobicContact CD2-SD 3.83Å; I406-M927 HydrophobicContact CG2-CG 4.47Å; M923-M927 HydrophobicContact CB-CE 4.27Å; M923-M927 WeakPolarHBondContact O-CG 3.43Å; M923-M927 PolarHBondContact O-N 2.68Å; M923-M927 VanDerWaalsContact O-N 3.1Å; H924-M927 PolarHBondContact O-N 2.85Å; M927-S930 PolarHBondContact O-N 3.12Å; M927-T931 PolarHBondContact O-N 3.33Å; M927-T931 PolarHBondContact O-OG1 3.47Å; M927-V1004 HydrophobicContact CE-CG2 4.04Å; M927-V1004 HydrophobicContact SD-CB 4.2Å; M927-V1004 HydrophobicContact SD-CG1 4.38Å; M927-V1004 HydrophobicContact SD-CG2 3.61Å; M927-S1007 WeakPolarHBondContact CE-OG 3.43Å
928	I	93.8	Very high	92	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-60.7	-50.9	175.6	-71.7	168.8	0	0	0	110.3	H924 S930 T931 M932 Q1010 L1014 L1037 E1041	H924-I928 WeakPolarHBondContact CE1-CD1 3.17Å; H924-I928 VanDerWaalsContact NE2-CD1 3.25Å; H924-I928 WeakPolarHBondContact NE2-CD1 3.33Å; H924-I928 PolarHBondContact O-N 3.04Å; I928-S930 VanDerWaalsContact C-N 3.3Å; I928-S930 PolarHBondContact O-N 3.2Å; I928-T931 PolarHBondContact O-N 3.34Å; I928-T931 VanDerWaalsContact O-N 3.07Å; I928-M932 HydrophobicContact CG2-CG 4.34Å; I928-M932 HydrophobicContact CG2-SD 4.03Å; I928-M932 WeakPolarHBondContact O-CG 3.04Å; I928-M932 PolarHBondContact O-N 3.14Å; I928-Q1010 HydrophobicContact CD1-CB 4.31Å; I928-Q1010 HydrophobicContact CG1-CB 4.42Å; I928-L1014 HydrophobicContact CG2-CD1 3.82Å; I928-L1037 HydrophobicContact CB-CD1 4.37Å; I928-L1037 HydrophobicContact CG2-CD1 3.41Å; I928-L1037 VanDerWaalsContact CG2-CD1 3.41Å; I928-E1041 WeakPolarHBondContact CD1-OE1 3.39Å
929	I	92.3	Very high	91.8	Very high	9 Å²	9	14.3 Å²	14.3	5%	0.046	9%	0.086	C	C	.	.	H	α-helix	trans	-57.4	-45.8	178.6	-71.9	-172	0	0	0	111	T931 M932 Q933 Y948 M953 Y956 L1037	I929-T931 VanDerWaalsContact C-N 3.26Å; I929-T931 PolarHBondContact O-N 3.46Å; I929-M932 PolarHBondContact O-N 3.41Å; I929-Q933 WeakPolarHBondContact O-CB 3.48Å; I929-Q933 PolarHBondContact O-N 2.88Å; I929-Y948 HydrophobicContact CG2-CD2 4.46Å; I929-M953 HydrophobicContact CD1-CE 4.08Å; I929-M953 HydrophobicContact CD1-SD 4.23Å; I929-M953 HydrophobicContact CG2-CE 4.12Å; I929-Y956 HydrophobicContact CD1-CD1 3.34Å; I929-Y956 HydrophobicContact CD1-CE1 3.12Å; I929-Y956 HydrophobicContact CD1-CE2 4.39Å; I929-Y956 HydrophobicContact CD1-CG 4.04Å; I929-Y956 HydrophobicContact CG1-CE1 3.94Å; I929-L1037 HydrophobicContact CD1-CD2 4.1Å; I929-L1037 HydrophobicContact CG1-CD2 3.75Å
930	S	92.6	Very high	91.7	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.028	10%	0.1	C	C	.	.	H	α-helix	trans	-63.5	-34.4	179.2	-175.3	0	0	0	0	112.8	F403 I406 G926 M927 I928 Q933 A934	F403-S930 VanDerWaalsContact CD1-OG 3.24Å; F403-S930 WeakPolarHBondContact CD1-OG 3.38Å; I406-S930 VanDerWaalsContact CD1-OG 3.3Å; I406-S930 WeakPolarHBondContact CD1-OG 3.46Å; I406-S930 WeakPolarHBondContact CG1-OG 3.28Å; G926-S930 PolarHBondContact O-N 3.47Å; M927-S930 PolarHBondContact O-N 3.12Å; I928-S930 VanDerWaalsContact C-N 3.3Å; I928-S930 PolarHBondContact O-N 3.2Å; S930-Q933 PolarHBondContact O-N 3.37Å; S930-A934 WeakPolarHBondContact O-CB 3.48Å; S930-A934 PolarHBondContact O-N 3.41Å
931	T	94.3	Very high	91.6	Very high	23 Å²	23	25.5 Å²	25.5	14%	0.141	14%	0.135	C	C	.	.	H	α-helix	trans	-70.8	-44.7	177.7	-53.8	0	0	0	0	110.6	M927 I928 I929 Q933 A934 V935 I1008	M927-T931 PolarHBondContact O-N 3.33Å; M927-T931 PolarHBondContact O-OG1 3.47Å; I928-T931 PolarHBondContact O-N 3.34Å; I928-T931 VanDerWaalsContact O-N 3.07Å; I929-T931 VanDerWaalsContact C-N 3.26Å; I929-T931 PolarHBondContact O-N 3.46Å; T931-Q933 VanDerWaalsContact C-N 3.26Å; T931-Q933 PolarHBondContact O-N 3.25Å; T931-A934 PolarHBondContact O-N 3.46Å; T931-A934 VanDerWaalsContact O-N 3.12Å; T931-V935 WeakPolarHBondContact O-CG2 3.22Å; T931-V935 PolarHBondContact O-N 3.33Å; T931-I1008 HydrophobicContact CG2-CB 4.46Å; T931-I1008 HydrophobicContact CG2-CG2 4.33Å
932	M	94	Very high	91.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.7	-43.1	173.1	-65.6	178.6	76.1	0	0	111.3	I928 I929 V935 F936 L947 Y948 G1011 L1014 M1015 L1037	I928-M932 HydrophobicContact CG2-CG 4.34Å; I928-M932 HydrophobicContact CG2-SD 4.03Å; I928-M932 WeakPolarHBondContact O-CG 3.04Å; I928-M932 PolarHBondContact O-N 3.14Å; I929-M932 PolarHBondContact O-N 3.41Å; M932-V935 PolarHBondContact O-N 3.31Å; M932-F936 WeakPolarHBondContact O-CB 3.2Å; M932-F936 PolarHBondContact O-N 2.85Å; M932-L947 HydrophobicContact CB-CD2 4.16Å; M932-Y948 WeakPolarHBondContact CE-OH 3.31Å; M932-G1011 WeakPolarHBondContact CG-O 3.29Å; M932-L1014 HydrophobicContact CE-CB 3.8Å; M932-L1014 HydrophobicContact CG-CB 4.36Å; M932-L1014 HydrophobicContact SD-CB 4.06Å; M932-L1014 HydrophobicContact SD-CD1 4Å; M932-M1015 HydrophobicContact CB-CB 4.33Å; M932-M1015 HydrophobicContact CG-CB 4.35Å; M932-L1037 HydrophobicContact SD-CB 4.36Å; M932-L1037 HydrophobicContact SD-CD1 4.02Å; M932-L1037 HydrophobicContact SD-CD2 4.21Å; M932-L1037 HydrophobicContact SD-CG 4.43Å
933	Q	93.4	Very high	91.3	Very high	10 Å²	10	29 Å²	29	5%	0.047	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-39.2	176.3	-178.8	61.5	62.7	0	0	112.7	L402 F403 I929 S930 T931 F936 S937 V945 L947	L402-Q933 HydrophobicContact CD1-CG 4Å; L402-Q933 HydrophobicContact CD2-CG 3.96Å; L402-Q933 HydrophobicContact CG-CG 3.68Å; F403-Q933 HydrophobicContact CD1-CG 4.37Å; F403-Q933 HydrophobicContact CE1-CB 4.34Å; F403-Q933 HydrophobicContact CE1-CG 4.04Å; I929-Q933 WeakPolarHBondContact O-CB 3.48Å; I929-Q933 PolarHBondContact O-N 2.88Å; S930-Q933 PolarHBondContact O-N 3.37Å; T931-Q933 VanDerWaalsContact C-N 3.26Å; T931-Q933 PolarHBondContact O-N 3.25Å; Q933-F936 WeakPolarHBondContact O-CB 3.35Å; Q933-F936 PolarHBondContact O-N 3.37Å; Q933-S937 PolarHBondContact NE2-OG 3.48Å; Q933-S937 WeakPolarHBondContact O-CB 3.37Å; Q933-S937 PolarHBondContact O-N 3.02Å; Q933-S937 PolarHBondContact O-OG 3.49Å; Q933-V945 PolarHBondContact NE2-O 2.9Å; Q933-L947 VanDerWaalsContact OE1-CB 3.25Å
934	A	93.1	Very high	91.1	Very high	14 Å²	14	29.4 Å²	29.4	12%	0.116	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-42.4	177.6	0	0	0	0	0	111.5	L378 F403 S930 T931 S937 S938	L378-A934 HydrophobicContact CD2-CB 4.48Å; F403-A934 HydrophobicContact CE1-CB 3.79Å; F403-A934 HydrophobicContact CZ-CB 4Å; S930-A934 WeakPolarHBondContact O-CB 3.48Å; S930-A934 PolarHBondContact O-N 3.41Å; T931-A934 PolarHBondContact O-N 3.46Å; T931-A934 VanDerWaalsContact O-N 3.12Å; A934-S937 PolarHBondContact O-N 3.45Å; A934-S938 WeakPolarHBondContact O-CB 3.37Å; A934-S938 PolarHBondContact O-N 3.09Å; A934-S938 PolarHBondContact O-OG 3.11Å
935	V	92.8	Very high	91	Very high	41 Å²	41	32.8 Å²	32.8	25%	0.248	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-46.1	174.9	176.2	0	0	0	0	110.4	T931 M932 S937 S938 V939 M1015	T931-V935 WeakPolarHBondContact O-CG2 3.22Å; T931-V935 PolarHBondContact O-N 3.33Å; M932-V935 PolarHBondContact O-N 3.31Å; V935-S937 PolarHBondContact O-N 2.72Å; V935-S938 PolarHBondContact O-N 3.42Å; V935-V939 WeakPolarHBondContact O-CG2 3.29Å; V935-V939 PolarHBondContact O-N 3.37Å; V935-M1015 HydrophobicContact CB-CB 4.19Å; V935-M1015 HydrophobicContact CB-CG 3.95Å; V935-M1015 HydrophobicContact CG1-CB 4.04Å; V935-M1015 HydrophobicContact CG1-CG 3.67Å
936	F	91.8	Very high	90.9	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.088	19%	0.186	C	C	.	.	H	α-helix	trans	-53.3	-56.4	173.9	-174.7	-113	0	0	0	111.4	M932 Q933 S938 V939 F940 V945 L947 M1015	M932-F936 WeakPolarHBondContact O-CB 3.2Å; M932-F936 PolarHBondContact O-N 2.85Å; Q933-F936 WeakPolarHBondContact O-CB 3.35Å; Q933-F936 PolarHBondContact O-N 3.37Å; F936-S938 PolarHBondContact O-N 3.35Å; F936-V939 PolarHBondContact O-N 2.86Å; F936-V939 VanDerWaalsContact O-N 3.12Å; F936-F940 AromaticContact CD2-CD2 3.65Å; F936-F940 HydrophobicContact CD2-CD2 3.65Å; F936-F940 AromaticContact CD2-CE2 3.3Å; F936-F940 HydrophobicContact CD2-CE2 3.3Å; F936-F940 HydrophobicContact CD2-CZ 4.18Å; F936-F940 HydrophobicContact CE1-CD2 4.4Å; F936-F940 HydrophobicContact CE1-CE2 4.48Å; F936-F940 AromaticContact CE2-CD2 3.59Å; F936-F940 HydrophobicContact CE2-CD2 3.59Å; F936-F940 HydrophobicContact CE2-CE1 4.41Å; F936-F940 AromaticContact CE2-CE2 2.97Å; F936-F940 HydrophobicContact CE2-CE2 2.97Å; F936-F940 HydrophobicContact CE2-CG 4.48Å; F936-F940 AromaticContact CE2-CZ 3.39Å; F936-F940 HydrophobicContact CE2-CZ 3.39Å; F936-F940 HydrophobicContact CG-CD2 4.18Å; F936-F940 HydrophobicContact CG-CE2 4.26Å; F936-F940 AromaticContact CZ-CD2 3.96Å; F936-F940 HydrophobicContact CZ-CD2 3.96Å; F936-F940 HydrophobicContact CZ-CE1 4.44Å; F936-F940 AromaticContact CZ-CE2 3.64Å; F936-F940 HydrophobicContact CZ-CE2 3.64Å; F936-F940 HydrophobicContact CZ-CG 4.46Å; F936-F940 AromaticContact CZ-CZ 3.79Å; F936-F940 HydrophobicContact CZ-CZ 3.79Å; F936-F940 VanDerWaalsContact O-CD2 3.28Å; F936-F940 WeakPolarHBondContact O-CD2 3.48Å; F936-F940 PolarHBondContact O-N 3.47Å; F936-V945 HydrophobicContact CE1-CB 4.45Å; F936-L947 HydrophobicContact CD1-CB 4.14Å; F936-L947 HydrophobicContact CD1-CD1 4.39Å; F936-L947 HydrophobicContact CD2-CD1 3.68Å; F936-L947 HydrophobicContact CE1-CB 4.48Å; F936-L947 HydrophobicContact CE2-CD1 3.77Å; F936-L947 HydrophobicContact CG-CB 4.3Å; F936-L947 HydrophobicContact CG-CD1 3.97Å; F936-L947 HydrophobicContact CZ-CD1 4.23Å; F936-M1015 HydrophobicContact CB-CE 3.33Å; F936-M1015 HydrophobicContact CD2-CE 3.29Å; F936-M1015 HydrophobicContact CE2-CE 4.35Å; F936-M1015 HydrophobicContact CG-CE 3.68Å
937	S	91.4	Very high	90.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-35.5	-179.1	-73.4	0	0	0	0	111.9	M382 Q933 A934 V935 F940 F942 A943	M382-S937 VanDerWaalsContact CE-CB 3.46Å; Q933-S937 PolarHBondContact NE2-OG 3.48Å; Q933-S937 WeakPolarHBondContact O-CB 3.37Å; Q933-S937 PolarHBondContact O-N 3.02Å; Q933-S937 PolarHBondContact O-OG 3.49Å; A934-S937 PolarHBondContact O-N 3.45Å; V935-S937 PolarHBondContact O-N 2.72Å; S937-F940 CarbonylContact O-C 3.59Å; S937-F940 PolarHBondContact O-N 3.27Å; S937-F942 WeakPolarHBondContact O-CA 3.43Å; S937-F942 PolarHBondContact O-N 2.79Å; S937-A943 PolarHBondContact OG-O 2.84Å; S937-A943 VanDerWaalsContact OG-O 3.06Å
938	S	90.6	Very high	90.5	Very high	51 Å²	51	33.8 Å²	33.8	36%	0.357	19%	0.185	S	C	.	.	H	α-helix	trans	-66.2	-39.5	177.6	-56.4	0	0	0	0	112.7	A934 V935 F936	A934-S938 WeakPolarHBondContact O-CB 3.37Å; A934-S938 PolarHBondContact O-N 3.09Å; A934-S938 PolarHBondContact O-OG 3.11Å; V935-S938 PolarHBondContact O-N 3.42Å; F936-S938 PolarHBondContact O-N 3.35Å
939	V	88.7	Confident	89.9	Confident	77 Å²	77	37.7 Å²	37.7	47%	0.467	20%	0.203	S	C	.	.	H	α-helix	trans	-69.8	-36.5	177.9	172.9	0	0	0	0	111.4	V935 F936 F941 L1019	V935-V939 WeakPolarHBondContact O-CG2 3.29Å; V935-V939 PolarHBondContact O-N 3.37Å; F936-V939 PolarHBondContact O-N 2.86Å; F936-V939 VanDerWaalsContact O-N 3.12Å; V939-F941 VanDerWaalsContact C-N 3.3Å; V939-F941 PolarHBondContact O-N 2.99Å; V939-L1019 HydrophobicContact CB-CD1 4.5Å; V939-L1019 HydrophobicContact CG1-CD1 4.33Å; V939-L1019 HydrophobicContact CG2-CD1 3.86Å
940	F	87.8	Confident	89.5	Confident	68 Å²	68	37.4 Å²	37.4	30%	0.298	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	51.5	179	-72.2	-100.6	0	0	0	112.5	F936 S937 F942 A943 F1026	F936-F940 AromaticContact CD2-CD2 3.65Å; F936-F940 HydrophobicContact CD2-CD2 3.65Å; F936-F940 AromaticContact CD2-CE2 3.3Å; F936-F940 HydrophobicContact CD2-CE2 3.3Å; F936-F940 HydrophobicContact CD2-CZ 4.18Å; F936-F940 HydrophobicContact CE1-CD2 4.4Å; F936-F940 HydrophobicContact CE1-CE2 4.48Å; F936-F940 AromaticContact CE2-CD2 3.59Å; F936-F940 HydrophobicContact CE2-CD2 3.59Å; F936-F940 HydrophobicContact CE2-CE1 4.41Å; F936-F940 AromaticContact CE2-CE2 2.97Å; F936-F940 HydrophobicContact CE2-CE2 2.97Å; F936-F940 HydrophobicContact CE2-CG 4.48Å; F936-F940 AromaticContact CE2-CZ 3.39Å; F936-F940 HydrophobicContact CE2-CZ 3.39Å; F936-F940 HydrophobicContact CG-CD2 4.18Å; F936-F940 HydrophobicContact CG-CE2 4.26Å; F936-F940 AromaticContact CZ-CD2 3.96Å; F936-F940 HydrophobicContact CZ-CD2 3.96Å; F936-F940 HydrophobicContact CZ-CE1 4.44Å; F936-F940 AromaticContact CZ-CE2 3.64Å; F936-F940 HydrophobicContact CZ-CE2 3.64Å; F936-F940 HydrophobicContact CZ-CG 4.46Å; F936-F940 AromaticContact CZ-CZ 3.79Å; F936-F940 HydrophobicContact CZ-CZ 3.79Å; F936-F940 VanDerWaalsContact O-CD2 3.28Å; F936-F940 WeakPolarHBondContact O-CD2 3.48Å; F936-F940 PolarHBondContact O-N 3.47Å; S937-F940 CarbonylContact O-C 3.59Å; S937-F940 PolarHBondContact O-N 3.27Å; F940-F942 PolarHBondContact O-N 3.37Å; F940-F942 VanDerWaalsContact O-N 3.09Å; F940-A943 WeakPolarHBondContact O-CB 3.33Å; F940-A943 PolarHBondContact O-N 3.35Å; F940-F1026 AromaticContact CE1-CE1 3.88Å; F940-F1026 HydrophobicContact CE1-CE1 3.88Å; F940-F1026 AromaticContact CE1-CZ 3.71Å; F940-F1026 HydrophobicContact CE1-CZ 3.71Å; F940-F1026 HydrophobicContact CE2-CE1 4.48Å; F940-F1026 HydrophobicContact CE2-CE2 4.27Å; F940-F1026 AromaticContact CE2-CZ 3.61Å; F940-F1026 HydrophobicContact CE2-CZ 3.61Å; F940-F1026 AromaticContact CZ-CE1 3.5Å; F940-F1026 HydrophobicContact CZ-CE1 3.5Å; F940-F1026 VanDerWaalsContact CZ-CE1 3.5Å; F940-F1026 HydrophobicContact CZ-CE2 4.03Å; F940-F1026 AromaticContact CZ-CZ 3.02Å; F940-F1026 HydrophobicContact CZ-CZ 3.02Å
941	F	88.4	Confident	89.1	Confident	187 Å²	187	41.8 Å²	41.8	82%	0.82	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	37.3	173.7	-56.7	-78.6	0	0	0	114.7	V939 A943	V939-F941 VanDerWaalsContact C-N 3.3Å; V939-F941 PolarHBondContact O-N 2.99Å; F941-A943 PolarHBondContact O-N 3.46Å
942	F	89.5	Confident	88.5	Confident	48 Å²	48	40.8 Å²	40.8	21%	0.211	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	36.4	-177.7	-52.5	-79.9	0	0	0	113.2	M382 L385 Q386 F399 S937 F940	M382-F942 HydrophobicContact CE-CD1 3.9Å; M382-F942 HydrophobicContact CE-CE1 4.43Å; M382-F942 HydrophobicContact SD-CD1 4.21Å; M382-F942 HydrophobicContact SD-CE1 4.42Å; L385-F942 HydrophobicContact CB-CD1 4.02Å; L385-F942 HydrophobicContact CB-CD2 4.43Å; L385-F942 HydrophobicContact CB-CE1 3.7Å; L385-F942 HydrophobicContact CB-CE2 4.13Å; L385-F942 HydrophobicContact CB-CG 4.39Å; L385-F942 HydrophobicContact CB-CZ 3.76Å; L385-F942 HydrophobicContact CD1-CE1 3.67Å; L385-F942 HydrophobicContact CD1-CZ 4.02Å; L385-F942 HydrophobicContact CG-CE1 4.33Å; L385-F942 HydrophobicContact CG-CZ 4.43Å; Q386-F942 HydrophobicContact CB-CB 3.96Å; Q386-F942 HydrophobicContact CG-CB 4.19Å; F399-F942 WeakPolarHBondContact CZ-O 3.45Å; S937-F942 WeakPolarHBondContact O-CA 3.43Å; S937-F942 PolarHBondContact O-N 2.79Å; F940-F942 PolarHBondContact O-N 3.37Å; F940-F942 VanDerWaalsContact O-N 3.09Å
943	A	86.6	Confident	88	Confident	35 Å²	35	41.2 Å²	41.2	29%	0.289	22%	0.217	S	C	.	.			trans	-75.9	136.2	172.9	0	0	0	0	0	111.7	S937 F940 F941 V945	S937-A943 PolarHBondContact OG-O 2.84Å; S937-A943 VanDerWaalsContact OG-O 3.06Å; F940-A943 WeakPolarHBondContact O-CB 3.33Å; F940-A943 PolarHBondContact O-N 3.35Å; F941-A943 PolarHBondContact O-N 3.46Å; A943-V945 HydrophobicContact CB-CG2 4.16Å; A943-V945 PolarHBondContact O-N 3.27Å
944	S	87.1	Confident	87.6	Confident	10 Å²	10	42.2 Å²	42.2	7%	0.07	22%	0.224	C	C	.	.			trans	-84.6	61.1	176.8	65.9	0	0	0	0	111.3	R398	R398-S944 PolarHBondContact NE-OG 3.23Å; R398-S944 PolarHBondContact NH2-O 3.03Å; R398-S944 PolarHBondContact NH2-OG 3.47Å
945	V	88	Confident	87.2	Confident	71 Å²	71	41.8 Å²	41.8	43%	0.43	22%	0.221	S	C	.	.			trans	-109.5	128.7	177.9	-179.5	0	0	0	0	109.1	Q933 F936 A943	Q933-V945 PolarHBondContact NE2-O 2.9Å; F936-V945 HydrophobicContact CE1-CB 4.45Å; A943-V945 HydrophobicContact CB-CG2 4.16Å; A943-V945 PolarHBondContact O-N 3.27Å
946	P	88.9	Confident	86.9	Confident	21 Å²	21	40.1 Å²	40.1	14%	0.136	21%	0.21	C	C	.	.			trans	-74.6	131.1	178.7	31.9	-34.5	0	0	0	111.2	I163 L402 Q949	I163-P946 HydrophobicContact CG2-CB 3.96Å; I163-P946 HydrophobicContact CG2-CG 3.64Å; L402-P946 HydrophobicContact CD1-CB 3.74Å; P946-Q949 HydrophobicContact CB-CG 4.12Å; P946-Q949 HydrophobicContact CG-CG 3.64Å; P946-Q949 VanDerWaalsContact CG-NE2 3.35Å
947	L	88.6	Confident	86.3	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.042	22%	0.216	C	C	.	.	S	Bend	trans	-65.1	-44.9	177.8	176.3	63.7	0	0	0	111.3	M932 Q933 F936 M1015	M932-L947 HydrophobicContact CB-CD2 4.16Å; Q933-L947 VanDerWaalsContact OE1-CB 3.25Å; F936-L947 HydrophobicContact CD1-CB 4.14Å; F936-L947 HydrophobicContact CD1-CD1 4.39Å; F936-L947 HydrophobicContact CD2-CD1 3.68Å; F936-L947 HydrophobicContact CE1-CB 4.48Å; F936-L947 HydrophobicContact CE2-CD1 3.77Å; F936-L947 HydrophobicContact CG-CB 4.3Å; F936-L947 HydrophobicContact CG-CD1 3.97Å; F936-L947 HydrophobicContact CZ-CD1 4.23Å; L947-M1015 HydrophobicContact CD1-CE 3.65Å; L947-M1015 HydrophobicContact CD2-CE 3.73Å; L947-M1015 HydrophobicContact CG-CE 4.33Å
948	Y	87.3	Confident	85.9	Confident	12 Å²	12	42.9 Å²	42.9	5%	0.047	23%	0.232	C	C	.	.	S	Bend	trans	-117.2	136.9	179.2	-54.3	-50.6	0	0	0	109.9	I929 M932 M953 V1030 S1033 F1034 L1037	I929-Y948 HydrophobicContact CG2-CD2 4.46Å; M932-Y948 WeakPolarHBondContact CE-OH 3.31Å; Y948-M953 WeakPolarHBondContact CB-SD 3.25Å; Y948-M953 HydrophobicContact CD2-SD 3.99Å; Y948-M953 HydrophobicContact CG-SD 4.17Å; Y948-V1030 HydrophobicContact CD1-CG1 4.08Å; Y948-V1030 HydrophobicContact CE1-CG1 4.39Å; Y948-S1033 PolarHBondContact OH-O 3.29Å; Y948-S1033 PolarHBondContact OH-OG 2.91Å; Y948-F1034 HydrophobicContact CD1-CB 4.44Å; Y948-F1034 AromaticContact CD1-CD2 3.93Å; Y948-F1034 HydrophobicContact CD1-CD2 3.93Å; Y948-F1034 HydrophobicContact CD2-CD2 4.37Å; Y948-F1034 HydrophobicContact CE1-CB 3.79Å; Y948-F1034 AromaticContact CE1-CD2 3.83Å; Y948-F1034 HydrophobicContact CE1-CD2 3.83Å; Y948-F1034 HydrophobicContact CE1-CG 4.29Å; Y948-F1034 HydrophobicContact CE2-CD2 4.27Å; Y948-F1034 HydrophobicContact CG-CD2 4.21Å; Y948-F1034 AromaticContact CZ-CD2 3.99Å; Y948-F1034 PolarHBondContact OH-N 2.89Å; Y948-L1037 HydrophobicContact CE2-CD2 4.05Å
949	Q	81.9	Confident	85.6	Confident	82 Å²	82	44 Å²	44	38%	0.383	23%	0.232	S	C	.	.			trans	-134.9	157.5	-177.2	-60.9	-174.3	24.4	0	0	112.6	P946 F951	P946-Q949 HydrophobicContact CB-CG 4.12Å; P946-Q949 HydrophobicContact CG-CG 3.64Å; P946-Q949 VanDerWaalsContact CG-NE2 3.35Å; Q949-F951 PolarHBondContact O-N 3.32Å
950	G	83.3	Confident	85.6	Confident	3 Å²	3	40.8 Å²	40.8	3%	0.031	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	-130.2	169.6	0	0	0	0	0	114.5	Y167 L952 M953 V954	Y167-G950 VanDerWaalsContact OH-CA 3.22Å; Y167-G950 WeakPolarHBondContact OH-CA 3.35Å; G950-L952 VanDerWaalsContact C-N 3.31Å; G950-L952 PolarHBondContact O-N 2.68Å; G950-M953 PolarHBondContact O-N 2.88Å; G950-V954 PolarHBondContact O-N 3.17Å
951	F	82.9	Confident	85.7	Confident	96 Å²	96	37.6 Å²	37.6	42%	0.421	20%	0.198	S	C	.	.	H	α-helix	trans	-66.4	-24.3	-174.2	-76.3	-74.1	0	0	0	114.3	Q949 M953 V954 G955 L1074 Y1077	Q949-F951 PolarHBondContact O-N 3.32Å; F951-M953 PolarHBondContact O-N 3.46Å; F951-V954 PolarHBondContact O-N 3.34Å; F951-G955 PolarHBondContact O-N 3.41Å; F951-L1074 HydrophobicContact CB-CD1 4.16Å; F951-L1074 HydrophobicContact CB-CD2 4.47Å; F951-Y1077 HydrophobicContact CD2-CD2 4.43Å; F951-Y1077 HydrophobicContact CD2-CE1 4.25Å; F951-Y1077 AromaticContact CD2-CE2 3.66Å; F951-Y1077 HydrophobicContact CD2-CE2 3.66Å; F951-Y1077 AromaticContact CD2-CZ 3.55Å; F951-Y1077 WeakPolarHBondContact CD2-OH 3.49Å; F951-Y1077 HydrophobicContact CE2-CE2 4.32Å
952	L	83.4	Confident	85.7	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-44.3	175.5	-76.7	96.4	0	0	0	111.4	G950 G955 Y956 V1030 F1034 Y1077 F1078	G950-L952 VanDerWaalsContact C-N 3.31Å; G950-L952 PolarHBondContact O-N 2.68Å; L952-G955 PolarHBondContact O-N 3.48Å; L952-Y956 VanDerWaalsContact O-CB 3.31Å; L952-Y956 WeakPolarHBondContact O-CB 3.1Å; L952-Y956 PolarHBondContact O-N 3.18Å; L952-V1030 HydrophobicContact CD2-CG1 4.43Å; L952-F1034 HydrophobicContact CB-CE1 4.48Å; L952-F1034 HydrophobicContact CB-CE2 4.03Å; L952-F1034 HydrophobicContact CB-CZ 3.96Å; L952-F1034 HydrophobicContact CD2-CB 4.31Å; L952-F1034 HydrophobicContact CD2-CD1 3.73Å; L952-F1034 HydrophobicContact CD2-CD2 3.96Å; L952-F1034 HydrophobicContact CD2-CE1 3.91Å; L952-F1034 HydrophobicContact CD2-CE2 4.14Å; L952-F1034 HydrophobicContact CD2-CG 3.74Å; L952-F1034 HydrophobicContact CD2-CZ 4.1Å; L952-F1034 HydrophobicContact CG-CE1 4.38Å; L952-F1034 HydrophobicContact CG-CZ 4.35Å; L952-F1034 WeakPolarHBondContact O-CZ 3.42Å; L952-Y1077 HydrophobicContact CD1-CD1 4.26Å; L952-Y1077 HydrophobicContact CD1-CG 4.29Å; L952-F1078 HydrophobicContact CD2-CD1 4.12Å; L952-F1078 HydrophobicContact CD2-CE1 3.57Å; L952-F1078 HydrophobicContact CD2-CZ 3.86Å; L952-F1078 HydrophobicContact CG-CE1 4.42Å; L952-F1078 HydrophobicContact CG-CZ 4.25Å
953	M	83.8	Confident	85.7	Confident	8 Å²	8	31.8 Å²	31.8	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-69.5	-39.5	-179.8	-74.5	-56.2	-70.7	0	0	112.1	Y405 I929 Y948 G950 F951 A957	Y405-M953 HydrophobicContact CD1-CE 3.44Å; Y405-M953 VanDerWaalsContact CD1-CE 3.44Å; Y405-M953 HydrophobicContact CD2-CE 3.66Å; Y405-M953 HydrophobicContact CE1-CE 3.29Å; Y405-M953 HydrophobicContact CE2-CE 3.51Å; Y405-M953 HydrophobicContact CG-CE 3.62Å; I929-M953 HydrophobicContact CD1-CE 4.08Å; I929-M953 HydrophobicContact CD1-SD 4.23Å; I929-M953 HydrophobicContact CG2-CE 4.12Å; Y948-M953 WeakPolarHBondContact CB-SD 3.25Å; Y948-M953 HydrophobicContact CD2-SD 3.99Å; Y948-M953 HydrophobicContact CG-SD 4.17Å; G950-M953 PolarHBondContact O-N 2.88Å; F951-M953 PolarHBondContact O-N 3.46Å; M953-A957 WeakPolarHBondContact O-CB 3.15Å; M953-A957 PolarHBondContact O-N 3.43Å; M953-A957 VanDerWaalsContact O-N 3.16Å
954	V	83.8	Confident	85.9	Confident	31 Å²	31	30.2 Å²	30.2	19%	0.188	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-51.3	174.6	177.9	0	0	0	0	109.8	Y167 T168 G950 F951 Y956 A957 T958	Y167-V954 HydrophobicContact CD2-CG2 4.49Å; Y167-V954 HydrophobicContact CE2-CG2 4.31Å; T168-V954 HydrophobicContact CG2-CG2 4.23Å; G950-V954 PolarHBondContact O-N 3.17Å; F951-V954 PolarHBondContact O-N 3.34Å; V954-Y956 PolarHBondContact O-N 2.87Å; V954-A957 PolarHBondContact O-N 2.9Å; V954-T958 PolarHBondContact O-N 2.91Å; V954-T958 PolarHBondContact O-OG1 3.19Å
955	G	84.5	Confident	86.1	Confident	5 Å²	5	29.8 Å²	29.8	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-40.2	-179.7	0	0	0	0	0	113.2	F951 L952 I959 Y960	F951-G955 PolarHBondContact O-N 3.41Å; L952-G955 PolarHBondContact O-N 3.48Å; G955-I959 CarbonylContact O-C 3.49Å; G955-I959 WeakPolarHBondContact O-CA 3.18Å; G955-I959 PolarHBondContact O-N 3.47Å; G955-Y960 WeakPolarHBondContact O-CD2 3.14Å; G955-Y960 PolarHBondContact O-N 3.23Å
956	Y	86.6	Confident	86.2	Confident	6 Å²	6	28.5 Å²	28.5	2%	0.024	15%	0.146	C	C	.	.	I	π-helix	trans	-62.3	-45.1	174.6	-179.8	-96.6	0	0	0	112.1	R925 I929 L952 V954 T961 F1034 L1037 V1038 E1041	R925-Y956 HydrophobicContact CG-CE1 3.46Å; R925-Y956 VanDerWaalsContact CG-CE1 3.46Å; R925-Y956 VanDerWaalsContact CG-CZ 3.47Å; R925-Y956 WeakPolarHBondContact CG-OH 3.49Å; R925-Y956 PolarHBondContact O-OH 3.42Å; I929-Y956 HydrophobicContact CD1-CD1 3.34Å; I929-Y956 HydrophobicContact CD1-CE1 3.12Å; I929-Y956 HydrophobicContact CD1-CE2 4.39Å; I929-Y956 HydrophobicContact CD1-CG 4.04Å; I929-Y956 HydrophobicContact CG1-CE1 3.94Å; L952-Y956 VanDerWaalsContact O-CB 3.31Å; L952-Y956 WeakPolarHBondContact O-CB 3.1Å; L952-Y956 PolarHBondContact O-N 3.18Å; V954-Y956 PolarHBondContact O-N 2.87Å; Y956-T961 HydrophobicContact CD2-CG2 3.9Å; Y956-T961 HydrophobicContact CE2-CG2 3.65Å; Y956-T961 PolarHBondContact O-OG1 3.08Å; Y956-F1034 HydrophobicContact CD2-CE2 4.34Å; Y956-F1034 HydrophobicContact CD2-CZ 4.46Å; Y956-F1034 HydrophobicContact CG-CE2 4.49Å; Y956-L1037 HydrophobicContact CD2-CD2 4.25Å; Y956-L1037 HydrophobicContact CE2-CD1 4.41Å; Y956-L1037 HydrophobicContact CE2-CD2 3.74Å; Y956-L1037 HydrophobicContact CE2-CG 3.81Å; Y956-V1038 HydrophobicContact CD2-CG2 4.35Å; Y956-E1041 HydrophobicContact CE2-CG 4.42Å; Y956-E1041 PolarHBondContact OH-OE1 3.05Å
957	A	80.1	Confident	86.4	Confident	27 Å²	27	28 Å²	28	22%	0.223	14%	0.143	C	C	.	.	I	π-helix	trans	-69.9	-34.2	-177.1	0	0	0	0	0	113.1	R925 M953 V954	R925-A957 PolarHBondContact NH1-O 2.84Å; R925-A957 PolarHBondContact NH2-O 3.44Å; M953-A957 WeakPolarHBondContact O-CB 3.15Å; M953-A957 PolarHBondContact O-N 3.43Å; M953-A957 VanDerWaalsContact O-N 3.16Å; V954-A957 PolarHBondContact O-N 2.9Å
958	T	81.9	Confident	86.5	Confident	52 Å²	52	27.9 Å²	27.9	32%	0.319	14%	0.143	S	C	.	.	I	π-helix	trans	-112.9	-30	-168.7	61.6	0	0	0	0	115.7	V954 M962	V954-T958 PolarHBondContact O-N 2.91Å; V954-T958 PolarHBondContact O-OG1 3.19Å; T958-M962 WeakPolarHBondContact O-CB 3.16Å
959	I	85.5	Confident	86.7	Confident	73 Å²	73	27.5 Å²	27.5	37%	0.374	14%	0.142	S	C	.	.	I	π-helix	trans	-117.1	-65.2	-171.1	-61.4	171	0	0	0	111.2	G955 T961 M962 C1066	G955-I959 CarbonylContact O-C 3.49Å; G955-I959 WeakPolarHBondContact O-CA 3.18Å; G955-I959 PolarHBondContact O-N 3.47Å; I959-T961 VanDerWaalsContact C-N 3.27Å; I959-T961 PolarHBondContact O-N 3.41Å; I959-T961 VanDerWaalsContact O-N 3.12Å; I959-M962 PolarHBondContact O-N 2.97Å; I959-C1066 HydrophobicContact CG2-CB 3.87Å
960	Y	88.8	Confident	87.1	Confident	10 Å²	10	25.5 Å²	25.5	4%	0.039	13%	0.133	C	C	.	.	I	π-helix	trans	-65.1	-24.9	-163.4	-52.3	-40.9	0	0	0	115.1	G955 F1034 S1063 Y1067 S1070	G955-Y960 WeakPolarHBondContact O-CD2 3.14Å; G955-Y960 PolarHBondContact O-N 3.23Å; Y960-F1034 HydrophobicContact CD2-CE1 4.02Å; Y960-F1034 AromaticContact CD2-CZ 3.93Å; Y960-F1034 HydrophobicContact CD2-CZ 3.93Å; Y960-F1034 AromaticContact CE2-CE1 3.96Å; Y960-F1034 HydrophobicContact CE2-CE1 3.96Å; Y960-F1034 AromaticContact CE2-CZ 3.98Å; Y960-F1034 HydrophobicContact CE2-CZ 3.98Å; Y960-S1063 WeakPolarHBondContact O-CB 3.34Å; Y960-Y1067 HydrophobicContact CD1-CD2 4.4Å; Y960-Y1067 HydrophobicContact CD2-CD2 4.43Å; Y960-Y1067 HydrophobicContact CG-CD2 4.37Å; Y960-S1070 WeakPolarHBondContact OH-CB 3.02Å; Y960-S1070 PolarHBondContact OH-OG 2.92Å; Y960-S1070 VanDerWaalsContact OH-OG 3.13Å
961	T	89.3	Confident	87.4	Confident	2 Å²	2	26 Å²	26	1%	0.012	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	2.7	-178.4	62.2	0	0	0	0	112.6	R925 Y956 I959 V965 E1041	R925-T961 WeakPolarHBondContact CD-OG1 3.21Å; R925-T961 PolarHBondContact NH1-OG1 3.15Å; Y956-T961 HydrophobicContact CD2-CG2 3.9Å; Y956-T961 HydrophobicContact CE2-CG2 3.65Å; Y956-T961 PolarHBondContact O-OG1 3.08Å; I959-T961 VanDerWaalsContact C-N 3.27Å; I959-T961 PolarHBondContact O-N 3.41Å; I959-T961 VanDerWaalsContact O-N 3.12Å; T961-V965 WeakPolarHBondContact O-CB 3.44Å; T961-V965 WeakPolarHBondContact O-CG2 3.39Å; T961-E1041 HydrophobicContact CG2-CB 4.08Å; T961-E1041 HydrophobicContact CG2-CG 4.4Å
962	M	87.3	Confident	87.6	Confident	35 Å²	35	24.7 Å²	24.7	17%	0.172	13%	0.13	C	C	.	.	H	α-helix	trans	-74.7	-54.8	-175.1	-172.2	-70.9	-119.5	0	0	111	M417 T958 I959 V965 F966	M417-M962 HydrophobicContact CE-CE 4.35Å; T958-M962 WeakPolarHBondContact O-CB 3.16Å; I959-M962 PolarHBondContact O-N 2.97Å; M962-V965 PolarHBondContact O-N 3.41Å; M962-F966 VanDerWaalsContact O-CB 3.27Å; M962-F966 WeakPolarHBondContact O-CB 3.47Å; M962-F966 PolarHBondContact O-N 2.84Å; M962-F966 HydrophobicContact SD-CB 3.79Å; M962-F966 HydrophobicContact SD-CG 4.33Å
963	F	90.2	Very high	87.6	Confident	78 Å²	78	25.5 Å²	25.5	34%	0.342	14%	0.135	S	C	.	.	H	α-helix	trans	-59	-43.8	-174.2	-62.4	-79.3	0	0	0	114.1	F966 S967 A1059 F1062	F963-F966 PolarHBondContact O-N 3.07Å; F963-S967 WeakPolarHBondContact O-CB 3.4Å; F963-S967 PolarHBondContact O-N 3.35Å; F963-A1059 HydrophobicContact CB-CB 4.01Å; F963-F1062 AromaticContact CD2-CD1 3.86Å; F963-F1062 HydrophobicContact CD2-CD1 3.86Å; F963-F1062 AromaticContact CD2-CE1 3.95Å; F963-F1062 HydrophobicContact CD2-CE1 3.95Å; F963-F1062 AromaticContact CE2-CD1 3.98Å; F963-F1062 HydrophobicContact CE2-CD1 3.98Å; F963-F1062 AromaticContact CE2-CE1 3.57Å; F963-F1062 HydrophobicContact CE2-CE1 3.57Å; F963-F1062 HydrophobicContact CG-CD1 4.29Å; F963-F1062 HydrophobicContact CZ-CD1 4.49Å; F963-F1062 AromaticContact CZ-CE1 3.91Å; F963-F1062 HydrophobicContact CZ-CE1 3.91Å
964	P	90.9	Very high	87.8	Confident	1 Å²	1	26 Å²	26	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-69.3	-42.9	-178.6	-19.1	35.4	0	0	0	110.9	F966 S967 L1042 V1045 E1060 S1063	P964-F966 PolarHBondContact O-N 3.42Å; P964-S967 WeakPolarHBondContact O-CB 3.22Å; P964-S967 PolarHBondContact O-N 3.35Å; P964-S967 PolarHBondContact O-OG 2.93Å; P964-L1042 HydrophobicContact CB-CD2 4.25Å; P964-L1042 HydrophobicContact CG-CD2 3.57Å; P964-V1045 HydrophobicContact CB-CG1 4.09Å; P964-E1060 HydrophobicContact CB-CG 4.4Å; P964-S1063 WeakPolarHBondContact CD-OG 3.35Å; P964-S1063 VanDerWaalsContact CG-OG 3.25Å; P964-S1063 WeakPolarHBondContact CG-OG 3.48Å
965	V	90.4	Very high	88.1	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-43.2	175.8	173.4	0	0	0	0	110.9	L918 F921 V922 T961 M962 S967 L968 V1045	L918-V965 HydrophobicContact CD1-CG1 3.66Å; L918-V965 VanDerWaalsContact CD1-O 3.3Å; L918-V965 WeakPolarHBondContact CD1-O 3.34Å; F921-V965 HydrophobicContact CB-CG1 4.24Å; V922-V965 HydrophobicContact CG2-CG1 3.68Å; T961-V965 WeakPolarHBondContact O-CB 3.44Å; T961-V965 WeakPolarHBondContact O-CG2 3.39Å; M962-V965 PolarHBondContact O-N 3.41Å; V965-S967 VanDerWaalsContact C-N 3.28Å; V965-S967 PolarHBondContact O-N 2.93Å; V965-L968 VanDerWaalsContact O-CB 3.27Å; V965-L968 WeakPolarHBondContact O-CB 3.3Å; V965-L968 VanDerWaalsContact O-CG 3.28Å; V965-L968 WeakPolarHBondContact O-CG 3.25Å; V965-L968 PolarHBondContact O-N 3.32Å; V965-V1045 HydrophobicContact CG2-CG2 3.93Å
966	F	91.3	Very high	88.4	Confident	44 Å²	44	33 Å²	33	19%	0.193	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-30.9	176.4	-172.3	-107.6	0	0	0	112.3	M417 M962 F963 P964 L968 V969	M417-F966 HydrophobicContact CB-CD2 4.42Å; M417-F966 HydrophobicContact CB-CE2 3.45Å; M417-F966 VanDerWaalsContact CB-CE2 3.45Å; M417-F966 HydrophobicContact CB-CZ 3.77Å; M417-F966 HydrophobicContact CE-CE1 4.47Å; M417-F966 HydrophobicContact CE-CE2 4.46Å; M417-F966 HydrophobicContact CE-CZ 4.21Å; M962-F966 VanDerWaalsContact O-CB 3.27Å; M962-F966 WeakPolarHBondContact O-CB 3.47Å; M962-F966 PolarHBondContact O-N 2.84Å; M962-F966 HydrophobicContact SD-CB 3.79Å; M962-F966 HydrophobicContact SD-CG 4.33Å; F963-F966 PolarHBondContact O-N 3.07Å; P964-F966 PolarHBondContact O-N 3.42Å; F966-L968 PolarHBondContact O-N 2.96Å; F966-L968 VanDerWaalsContact O-N 3.08Å; F966-V969 HydrophobicContact CD2-CG2 4.16Å; F966-V969 HydrophobicContact CE2-CG2 3.98Å; F966-V969 HydrophobicContact CZ-CG2 4.36Å; F966-V969 VanDerWaalsContact O-CB 3.25Å; F966-V969 WeakPolarHBondContact O-CB 3.35Å; F966-V969 WeakPolarHBondContact O-CG2 3.28Å; F966-V969 PolarHBondContact O-N 3.35Å
967	S	92	Very high	88.6	Confident	10 Å²	10	40 Å²	40	7%	0.07	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-18.3	177.2	86	0	0	0	0	113.6	F963 P964 V965 V969 L970	F963-S967 WeakPolarHBondContact O-CB 3.4Å; F963-S967 PolarHBondContact O-N 3.35Å; P964-S967 WeakPolarHBondContact O-CB 3.22Å; P964-S967 PolarHBondContact O-N 3.35Å; P964-S967 PolarHBondContact O-OG 2.93Å; V965-S967 VanDerWaalsContact C-N 3.28Å; V965-S967 PolarHBondContact O-N 2.93Å; S967-V969 PolarHBondContact O-N 3.05Å; S967-V969 VanDerWaalsContact O-N 3.09Å; S967-L970 WeakPolarHBondContact O-CB 3.08Å; S967-L970 PolarHBondContact O-N 3.22Å
968	L	90.6	Very high	89.1	Confident	6 Å²	6	40.4 Å²	40.4	3%	0.031	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-59.6	-18.1	172.4	-63.6	176.6	0	0	0	113.5	F921 V965 F966 L970 D971 V1045 V1049 M1056	F921-L968 HydrophobicContact CB-CD1 4.22Å; F921-L968 HydrophobicContact CD2-CD1 3.48Å; F921-L968 VanDerWaalsContact CD2-CD1 3.48Å; F921-L968 HydrophobicContact CE2-CD1 4.03Å; F921-L968 HydrophobicContact CG-CD1 3.87Å; V965-L968 VanDerWaalsContact O-CB 3.27Å; V965-L968 WeakPolarHBondContact O-CB 3.3Å; V965-L968 VanDerWaalsContact O-CG 3.28Å; V965-L968 WeakPolarHBondContact O-CG 3.25Å; V965-L968 PolarHBondContact O-N 3.32Å; F966-L968 PolarHBondContact O-N 2.96Å; F966-L968 VanDerWaalsContact O-N 3.08Å; L968-L970 PolarHBondContact O-N 3.4Å; L968-L970 VanDerWaalsContact O-N 3.15Å; L968-D971 WeakPolarHBondContact O-CB 3.02Å; L968-D971 PolarHBondContact O-N 3.2Å; L968-D971 VanDerWaalsContact O-N 3.12Å; L968-V1045 HydrophobicContact CD2-CG1 4.36Å; L968-V1049 HydrophobicContact CD2-CG2 4.17Å; L968-M1056 HydrophobicContact CD2-CE 4.45Å
969	V	91.9	Very high	89.5	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.024	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58.8	-19.3	169.6	170.5	0	0	0	0	111.8	A421 Y422 M425 R914 L918 F966 S967	A421-V969 HydrophobicContact CB-CG1 3.63Å; Y422-V969 HydrophobicContact CD1-CG1 4Å; Y422-V969 HydrophobicContact CE1-CB 4.14Å; Y422-V969 HydrophobicContact CE1-CG1 3.48Å; Y422-V969 VanDerWaalsContact CE1-CG1 3.48Å; Y422-V969 HydrophobicContact CE1-CG2 4.35Å; M425-V969 HydrophobicContact CE-CG1 4.1Å; R914-V969 WeakPolarHBondContact CD-O 3.36Å; R914-V969 PolarHBondContact NE-O 3.4Å; R914-V969 PolarHBondContact NH1-O 3.04Å; L918-V969 HydrophobicContact CD2-CG2 4.07Å; F966-V969 HydrophobicContact CD2-CG2 4.16Å; F966-V969 HydrophobicContact CE2-CG2 3.98Å; F966-V969 HydrophobicContact CZ-CG2 4.36Å; F966-V969 VanDerWaalsContact O-CB 3.25Å; F966-V969 WeakPolarHBondContact O-CB 3.35Å; F966-V969 WeakPolarHBondContact O-CG2 3.28Å; F966-V969 PolarHBondContact O-N 3.35Å; S967-V969 PolarHBondContact O-N 3.05Å; S967-V969 VanDerWaalsContact O-N 3.09Å
970	L	91	Very high	89.7	Confident	40 Å²	40	37.4 Å²	37.4	21%	0.209	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-95.2	-13.8	177.9	-59.6	169.8	0	0	0	113.9	M425 R914 S967 L968 H1053 L1055 M1056	M425-L970 HydrophobicContact CE-CD2 3.41Å; M425-L970 VanDerWaalsContact CE-CD2 3.41Å; R914-L970 PolarHBondContact NH2-O 3.15Å; S967-L970 WeakPolarHBondContact O-CB 3.08Å; S967-L970 PolarHBondContact O-N 3.22Å; L968-L970 PolarHBondContact O-N 3.4Å; L968-L970 VanDerWaalsContact O-N 3.15Å; L970-H1053 HydrophobicContact CB-CB 4.49Å; L970-L1055 HydrophobicContact CD1-CB 3.71Å; L970-L1055 HydrophobicContact CD1-CD1 3.87Å; L970-L1055 HydrophobicContact CD1-CG 4.44Å; L970-M1056 HydrophobicContact CB-CG 4.39Å; L970-M1056 HydrophobicContact CB-SD 4.29Å; L970-M1056 HydrophobicContact CD1-CG 4.27Å
971	D	89.8	Confident	89.9	Confident	13 Å²	13	42.6 Å²	42.6	7%	0.07	21%	0.212	C	C	.	.			trans	-63.6	140.4	-174.9	-171.4	49.6	0	0	0	111.5	R914 L968 R1050 T1051	R914-D971 VanDerWaalsContact CZ-O 3.3Å; R914-D971 PolarHBondContact NE-O 3.27Å; R914-D971 PolarHBondContact NH2-O 3.21Å; R914-D971 VanDerWaalsContact NH2-O 3.08Å; L968-D971 WeakPolarHBondContact O-CB 3.02Å; L968-D971 PolarHBondContact O-N 3.2Å; L968-D971 VanDerWaalsContact O-N 3.12Å; D971-R1050 PolarHBondContact OD1-N 3.22Å; D971-R1050 IonicContact OD2-NH1 3.84Å; D971-R1050 PolarHBondContact OD2-NH1 3.42Å; D971-T1051 PolarHBondContact OD1-N 3.04Å; D971-T1051 VanDerWaalsContact OD1-N 3.16Å; D971-T1051 PolarHBondContact OD1-OG1 2.89Å
972	Q	86.6	Confident	90	Very high	68 Å²	68	46.7 Å²	46.7	32%	0.318	23%	0.228	S	C	.	.			trans	-120.6	128.3	176.8	-66.8	-179.7	21.4	0	0	109.1	T1051	Q972-T1051 HydrophobicContact CB-CG2 4.41Å; Q972-T1051 PolarHBondContact N-OG1 3.35Å; Q972-T1051 WeakPolarHBondContact O-CG2 3.1Å; Q972-T1051 PolarHBondContact O-OG1 3.21Å
973	D	84.2	Confident	90.2	Very high	20 Å²	20	45.3 Å²	45.3	11%	0.107	22%	0.221	C	C	.	.	S	Bend	trans	-82	-32.2	176.6	72	-36.5	0	0	0	112.4	R909	R909-D973 IonicContact CZ-OD2 3.31Å; R909-D973 IonicContact NE-OD1 3.54Å; R909-D973 PolarHBondContact NE-OD1 3.06Å; R909-D973 IonicContact NE-OD2 3.41Å; R909-D973 PolarHBondContact NE-OD2 3.38Å; R909-D973 IonicContact NH2-OD2 2.67Å; R909-D973 PolarHBondContact NH2-OD2 3.31Å
974	V	87.8	Confident	90.2	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.109	23%	0.227	C	C	.	.	S	Bend	trans	-143	147.1	-178.7	-179	0	0	0	0	108.9	T978 L985 Y1129	V974-T978 VanDerWaalsContact CG1-CB 3.49Å; V974-T978 HydrophobicContact CG1-CG2 3.65Å; V974-L985 HydrophobicContact CG2-CD1 4.48Å; V974-Y1129 HydrophobicContact CG2-CD2 4.13Å; V974-Y1129 HydrophobicContact CG2-CG 4.18Å
975	K	89.8	Confident	90.2	Very high	149 Å²	149	46.7 Å²	46.7	65%	0.648	23%	0.229	S	C	*	.			trans	-66.1	149.6	174.7	-67.4	-176.6	-179.7	179.5	0	111	E977 T978 A979	K975-E977 VanDerWaalsContact C-N 3.3Å; K975-E977 PolarHBondContact O-N 2.99Å; K975-T978 PolarHBondContact O-N 3.48Å; K975-A979 PolarHBondContact O-N 2.87Å; K975-A979 VanDerWaalsContact O-N 3.12Å
976	P	90.4	Very high	90.3	Very high	34 Å²	34	46.8 Å²	46.8	22%	0.221	23%	0.229	C	C	.	.	H	α-helix	trans	-54.7	-40.6	-179.1	-28	35.6	0	0	0	114.5	V906 A979 L980	V906-P976 HydrophobicContact CG1-CB 3.99Å; V906-P976 HydrophobicContact CG1-CG 4.21Å; V906-P976 HydrophobicContact CG2-CB 4.13Å; P976-A979 PolarHBondContact O-N 2.97Å; P976-L980 PolarHBondContact O-N 2.95Å
977	E	90.3	Very high	90.1	Very high	153 Å²	153	50.2 Å²	50.2	72%	0.715	24%	0.244	S	C	*	.	H	α-helix	trans	-62.4	-45.9	179.4	-67	159.3	-159.3	0	0	111.9	K975 A979 L980 L981	K975-E977 VanDerWaalsContact C-N 3.3Å; K975-E977 PolarHBondContact O-N 2.99Å; E977-A979 VanDerWaalsContact C-N 3.3Å; E977-A979 PolarHBondContact O-N 2.78Å; E977-L980 PolarHBondContact O-N 3.15Å; E977-L981 WeakPolarHBondContact O-CB 3.14Å; E977-L981 PolarHBondContact O-N 3.43Å
978	T	90.4	Very high	89.9	Confident	37 Å²	37	52.3 Å²	52.3	23%	0.227	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-33.1	178.1	-47.6	0	0	0	0	112	V974 K975 L980 L981 Y982	V974-T978 VanDerWaalsContact CG1-CB 3.49Å; V974-T978 HydrophobicContact CG1-CG2 3.65Å; K975-T978 PolarHBondContact O-N 3.48Å; T978-L980 VanDerWaalsContact C-N 3.33Å; T978-L981 PolarHBondContact O-N 2.85Å; T978-Y982 HydrophobicContact CG2-CD2 3.81Å; T978-Y982 HydrophobicContact CG2-CE2 4.2Å; T978-Y982 PolarHBondContact O-N 2.8Å
979	A	90.3	Very high	89.7	Confident	6 Å²	6	52.1 Å²	52.1	5%	0.05	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-31.2	176	0	0	0	0	0	112.8	V906 K975 P976 E977	V906-A979 HydrophobicContact CG2-CB 4.39Å; K975-A979 PolarHBondContact O-N 2.87Å; K975-A979 VanDerWaalsContact O-N 3.12Å; P976-A979 PolarHBondContact O-N 2.97Å; E977-A979 VanDerWaalsContact C-N 3.3Å; E977-A979 PolarHBondContact O-N 2.78Å
980	L	91.3	Very high	89.4	Confident	55 Å²	55	53.7 Å²	53.7	29%	0.288	26%	0.263	S	S	.	.	H	α-helix	trans	-78.8	-34.5	173.6	-71	169.2	0	0	0	112.2	L741 M905 V906 P976 E977 T978	L741-L980 VanDerWaalsContact CD1-O 3.23Å; L741-L980 WeakPolarHBondContact CD1-O 3.27Å; L741-L980 HydrophobicContact CD2-CD2 4.15Å; M905-L980 HydrophobicContact CB-CD2 4.15Å; V906-L980 HydrophobicContact CG2-CG 4.2Å; P976-L980 PolarHBondContact O-N 2.95Å; E977-L980 PolarHBondContact O-N 3.15Å; T978-L980 VanDerWaalsContact C-N 3.33Å
981	L	91.6	Very high	89.1	Confident	119 Å²	119	56.9 Å²	56.9	62%	0.623	28%	0.275	S	S	*	.	H	α-helix	trans	-69.8	-35.3	177.9	-173.3	63.6	0	0	0	112.7	E977 T978 P983	E977-L981 WeakPolarHBondContact O-CB 3.14Å; E977-L981 PolarHBondContact O-N 3.43Å; T978-L981 PolarHBondContact O-N 2.85Å; L981-P983 VanDerWaalsContact C-CD 3.48Å; L981-P983 VanDerWaalsContact O-CD 3.29Å; L981-P983 WeakPolarHBondContact O-CD 3.26Å
982	Y	91.5	Very high	88.7	Confident	88 Å²	88	56.7 Å²	56.7	35%	0.345	28%	0.277	S	S	.	.			trans	-119.8	73.7	-178	-60.5	-71.5	0	0	0	111.9	T978 E984 L985 L1132	T978-Y982 HydrophobicContact CG2-CD2 3.81Å; T978-Y982 HydrophobicContact CG2-CE2 4.2Å; T978-Y982 PolarHBondContact O-N 2.8Å; Y982-E984 WeakPolarHBondContact CA-OE2 3.28Å; Y982-E984 PolarHBondContact O-N 3.42Å; Y982-E984 VanDerWaalsContact O-N 3.17Å; Y982-L985 WeakPolarHBondContact O-CB 3.28Å; Y982-L985 WeakPolarHBondContact O-CG 3.39Å; Y982-L985 PolarHBondContact O-N 3.28Å; Y982-L1132 HydrophobicContact CD1-CD1 4.36Å; Y982-L1132 HydrophobicContact CD1-CD2 4.04Å; Y982-L1132 HydrophobicContact CD2-CB 4.33Å; Y982-L1132 HydrophobicContact CD2-CD1 3.93Å; Y982-L1132 HydrophobicContact CD2-CD2 4.23Å; Y982-L1132 HydrophobicContact CD2-CG 4.4Å; Y982-L1132 HydrophobicContact CE1-CD2 3.9Å; Y982-L1132 HydrophobicContact CE2-CB 4.26Å; Y982-L1132 HydrophobicContact CE2-CD2 4.08Å; Y982-L1132 HydrophobicContact CG-CD1 3.82Å; Y982-L1132 HydrophobicContact CG-CD2 4.2Å
983	P	91.4	Very high	88.4	Confident	6 Å²	6	61.1 Å²	61.1	4%	0.039	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.8	-178.1	26.3	-36.3	0	0	0	113.7	L741 N744 A745 M905 L981 L985 Y986	L741-P983 HydrophobicContact CD1-CB 3.72Å; L741-P983 HydrophobicContact CD1-CG 3.87Å; L741-P983 HydrophobicContact CG-CB 4.29Å; L741-P983 WeakPolarHBondContact O-CB 3.41Å; N744-P983 HydrophobicContact CB-CB 4.33Å; N744-P983 HydrophobicContact CB-CG 3.6Å; A745-P983 WeakPolarHBondContact CA-O 3.39Å; A745-P983 HydrophobicContact CB-CB 4Å; M905-P983 HydrophobicContact SD-CB 4.32Å; L981-P983 VanDerWaalsContact C-CD 3.48Å; L981-P983 VanDerWaalsContact O-CD 3.29Å; L981-P983 WeakPolarHBondContact O-CD 3.26Å; P983-L985 PolarHBondContact O-N 2.68Å; P983-Y986 WeakPolarHBondContact O-CB 3.1Å; P983-Y986 PolarHBondContact O-N 3.36Å
984	E	90.4	Very high	88.3	Confident	98 Å²	98	61.1 Å²	61.1	46%	0.458	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-23.2	178.2	-56.8	78.9	-172.9	0	0	112.2	Y982 Y986 K987	Y982-E984 WeakPolarHBondContact CA-OE2 3.28Å; Y982-E984 PolarHBondContact O-N 3.42Å; Y982-E984 VanDerWaalsContact O-N 3.17Å; E984-Y986 PolarHBondContact O-N 3.19Å; E984-K987 VanDerWaalsContact O-CB 3.29Å; E984-K987 WeakPolarHBondContact O-CB 3.35Å; E984-K987 PolarHBondContact O-N 2.86Å; E984-K987 VanDerWaalsContact O-N 3.09Å
985	L	90.6	Very high	88.1	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-26.8	173.4	-68.7	179.7	0	0	0	112.5	R909 V974 Y982 P983 L1132	R909-L985 VanDerWaalsContact NH1-C 3.29Å; R909-L985 PolarHBondContact NH1-O 3.46Å; V974-L985 HydrophobicContact CG2-CD1 4.48Å; Y982-L985 WeakPolarHBondContact O-CB 3.28Å; Y982-L985 WeakPolarHBondContact O-CG 3.39Å; Y982-L985 PolarHBondContact O-N 3.28Å; P983-L985 PolarHBondContact O-N 2.68Å; L985-L1132 HydrophobicContact CD1-CD1 3.93Å; L985-L1132 HydrophobicContact CD2-CD1 3.84Å; L985-L1132 HydrophobicContact CG-CD1 4.02Å
986	Y	92.3	Very high	88	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-70.8	-39.2	174.9	-172.7	-85.8	0	0	0	111.8	L446 R448 L449 A745 I747 L904 M905 P983 E984 D988 L989 T990	L446-Y986 WeakPolarHBondContact O-CE2 3.38Å; L446-Y986 PolarHBondContact O-OH 3.01Å; R448-Y986 PolarHBondContact N-OH 3.46Å; L449-Y986 WeakPolarHBondContact CB-OH 3.19Å; L449-Y986 PolarHBondContact N-OH 3.43Å; L449-Y986 WeakPolarHBondContact O-CE1 3.39Å; A745-Y986 HydrophobicContact CB-CD1 4.14Å; A745-Y986 HydrophobicContact CB-CG 4.26Å; I747-Y986 HydrophobicContact CD1-CD1 4.39Å; I747-Y986 HydrophobicContact CD1-CE1 3.95Å; I747-Y986 HydrophobicContact CG1-CD1 4.41Å; I747-Y986 HydrophobicContact CG1-CE1 4.04Å; L904-Y986 HydrophobicContact CB-CE2 4.29Å; M905-Y986 HydrophobicContact CE-CD2 4.29Å; M905-Y986 HydrophobicContact CE-CG 4.23Å; M905-Y986 HydrophobicContact SD-CD2 3.87Å; M905-Y986 HydrophobicContact SD-CG 3.88Å; P983-Y986 WeakPolarHBondContact O-CB 3.1Å; P983-Y986 PolarHBondContact O-N 3.36Å; E984-Y986 PolarHBondContact O-N 3.19Å; Y986-D988 PolarHBondContact O-N 3.15Å; Y986-D988 VanDerWaalsContact O-N 3.08Å; Y986-L989 HydrophobicContact CD2-CD1 3.94Å; Y986-L989 HydrophobicContact CE2-CD1 4.41Å; Y986-L989 HydrophobicContact CG-CD1 4.33Å; Y986-L989 VanDerWaalsContact O-CB 3.24Å; Y986-L989 WeakPolarHBondContact O-CB 3.22Å; Y986-L989 WeakPolarHBondContact O-CG 3.33Å; Y986-L989 PolarHBondContact O-N 3.36Å; Y986-T990 HydrophobicContact CD1-CG2 4.47Å; Y986-T990 HydrophobicContact CE1-CG2 4.18Å
987	K	88.7	Confident	87.8	Confident	116 Å²	116	59.7 Å²	59.7	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-57.4	-26.8	178.2	-167.4	175.2	-179.5	173.8	0	113.2	A745 E984 L989 T990	A745-K987 WeakPolarHBondContact O-CA 3.44Å; A745-K987 WeakPolarHBondContact O-CB 3.31Å; A745-K987 PolarHBondContact O-N 2.78Å; E984-K987 VanDerWaalsContact O-CB 3.29Å; E984-K987 WeakPolarHBondContact O-CB 3.35Å; E984-K987 PolarHBondContact O-N 2.86Å; E984-K987 VanDerWaalsContact O-N 3.09Å; K987-L989 VanDerWaalsContact C-N 3.34Å; K987-T990 PolarHBondContact O-OG1 3.39Å
988	D	86.3	Confident	87.8	Confident	53 Å²	53	60.1 Å²	60.1	28%	0.283	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.3	176	-86.5	-18.4	0	0	0	113.9	Y986 K991	Y986-D988 PolarHBondContact O-N 3.15Å; Y986-D988 VanDerWaalsContact O-N 3.08Å; D988-K991 IonicContact OD1-NZ 3.28Å; D988-K991 PolarHBondContact OD1-NZ 3.39Å
989	L	88	Confident	87.6	Confident	2 Å²	2	60 Å²	60	1%	0.01	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-40.1	178.6	-52.6	172	0	0	0	111.2	G447 R448 R909 Y912 K913 Y986 K987 K991 G992	G447-L989 VanDerWaalsContact O-CB 3.23Å; G447-L989 WeakPolarHBondContact O-CB 3.39Å; R448-L989 WeakPolarHBondContact CD-O 3.03Å; R448-L989 PolarHBondContact NE-O 3.14Å; R909-L989 HydrophobicContact CB-CD1 3.81Å; R909-L989 HydrophobicContact CG-CD1 3.83Å; R909-L989 HydrophobicContact CG-CD2 4.46Å; Y912-L989 HydrophobicContact CD1-CB 4.28Å; Y912-L989 HydrophobicContact CD1-CD2 4.11Å; Y912-L989 HydrophobicContact CE1-CB 4.49Å; Y912-L989 HydrophobicContact CE1-CD2 4.5Å; K913-L989 HydrophobicContact CD-CD2 4.21Å; K913-L989 HydrophobicContact CG-CD2 4.1Å; Y986-L989 HydrophobicContact CD2-CD1 3.94Å; Y986-L989 HydrophobicContact CE2-CD1 4.41Å; Y986-L989 HydrophobicContact CG-CD1 4.33Å; Y986-L989 VanDerWaalsContact O-CB 3.24Å; Y986-L989 WeakPolarHBondContact O-CB 3.22Å; Y986-L989 WeakPolarHBondContact O-CG 3.33Å; Y986-L989 PolarHBondContact O-N 3.36Å; K987-L989 VanDerWaalsContact C-N 3.34Å; L989-K991 PolarHBondContact O-N 3.27Å; L989-K991 VanDerWaalsContact O-N 3.07Å; L989-G992 PolarHBondContact O-N 3.41Å
990	T	85.4	Confident	87.6	Confident	38 Å²	38	60.3 Å²	60.3	23%	0.233	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.4	-177.6	63.5	0	0	0	0	112.6	R448 V450 Y986 K987 G992	R448-T990 PolarHBondContact NE-O 2.97Å; R448-T990 PolarHBondContact NH2-O 2.86Å; V450-T990 HydrophobicContact CG2-CG2 4.18Å; Y986-T990 HydrophobicContact CD1-CG2 4.47Å; Y986-T990 HydrophobicContact CE1-CG2 4.18Å; K987-T990 PolarHBondContact O-OG1 3.39Å; T990-G992 VanDerWaalsContact C-N 3.27Å; T990-G992 PolarHBondContact O-N 3.47Å
991	K	83.8	Confident	87.5	Confident	106 Å²	106	61.9 Å²	61.9	46%	0.461	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-8.8	177.3	-61.4	175.1	-172.7	156.7	0	115.1	D988 L989 R993	D988-K991 IonicContact OD1-NZ 3.28Å; D988-K991 PolarHBondContact OD1-NZ 3.39Å; L989-K991 PolarHBondContact O-N 3.27Å; L989-K991 VanDerWaalsContact O-N 3.07Å; K991-R993 VanDerWaalsContact C-N 3.25Å; K991-R993 HydrophobicContact CB-CG 4.06Å; K991-R993 PolarHBondContact O-N 2.94Å
992	G	80.8	Confident	87.5	Confident	10 Å²	10	59.7 Å²	59.7	10%	0.103	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	12.3	177	0	0	0	0	0	116.5	L989 T990 S994 L995	L989-G992 PolarHBondContact O-N 3.41Å; T990-G992 VanDerWaalsContact C-N 3.27Å; T990-G992 PolarHBondContact O-N 3.47Å; G992-S994 VanDerWaalsContact C-N 3.27Å; G992-S994 PolarHBondContact O-N 3.19Å; G992-L995 PolarHBondContact O-N 3.32Å
993	R	81.3	Confident	87.5	Confident	160 Å²	160	57.1 Å²	57.1	60%	0.604	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-64.8	-27.9	-173	-68.5	178.6	176.5	178.6	-3.8	113.8	K991 L995 S996 T999	K991-R993 VanDerWaalsContact C-N 3.25Å; K991-R993 HydrophobicContact CB-CG 4.06Å; K991-R993 PolarHBondContact O-N 2.94Å; R993-L995 VanDerWaalsContact C-N 3.34Å; R993-L995 PolarHBondContact O-N 2.8Å; R993-S996 PolarHBondContact O-OG 3.27Å; R993-T999 WeakPolarHBondContact O-CG2 3.26Å
994	S	82.3	Confident	87.5	Confident	20 Å²	20	58.2 Å²	58.2	14%	0.14	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-66.8	-33.6	-177.6	-55.1	0	0	0	0	112.7	K913 Q920 G992	K913-S994 PolarHBondContact NZ-OG 3.41Å; Q920-S994 PolarHBondContact NE2-O 3.32Å; G992-S994 VanDerWaalsContact C-N 3.27Å; G992-S994 PolarHBondContact O-N 3.19Å
995	L	83.9	Confident	87.6	Confident	9 Å²	9	58.6 Å²	58.6	5%	0.047	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-123.9	51.1	-179.2	-163.8	75	0	0	0	110.9	L360 E363 L364 L367 A916 Q920 G992 R993	L360-L995 HydrophobicContact CG-CD2 4.18Å; E363-L995 HydrophobicContact CB-CD2 3.93Å; L364-L995 HydrophobicContact CD2-CD1 4.1Å; L364-L995 HydrophobicContact CD2-CD2 3.84Å; L364-L995 HydrophobicContact CG-CD2 3.84Å; L367-L995 HydrophobicContact CD1-CD1 4.15Å; L367-L995 HydrophobicContact CD1-CG 4.07Å; A916-L995 HydrophobicContact CB-CB 4.36Å; Q920-L995 HydrophobicContact CG-CD1 4.07Å; G992-L995 PolarHBondContact O-N 3.32Å; R993-L995 VanDerWaalsContact C-N 3.34Å; R993-L995 PolarHBondContact O-N 2.8Å
996	S	87.1	Confident	87.7	Confident	34 Å²	34	59.5 Å²	59.5	24%	0.238	29%	0.287	C	S	.	.			trans	-89.6	160.5	178	71.3	0	0	0	0	112.4	R993 K998 T999 F1000	R993-S996 PolarHBondContact O-OG 3.27Å; S996-K998 PolarHBondContact O-N 3.02Å; S996-T999 WeakPolarHBondContact CA-OG1 3.45Å; S996-T999 PolarHBondContact N-OG1 2.8Å; S996-T999 PolarHBondContact O-N 2.91Å; S996-T999 PolarHBondContact O-OG1 3.26Å; S996-T999 PolarHBondContact OG-N 3.02Å; S996-T999 VanDerWaalsContact OG-N 3.14Å; S996-T999 PolarHBondContact OG-OG1 2.91Å; S996-F1000 WeakPolarHBondContact O-CB 3.36Å; S996-F1000 PolarHBondContact O-N 2.91Å
997	F	86.2	Confident	87.8	Confident	129 Å²	129	59.3 Å²	59.3	57%	0.566	29%	0.286	S	S	*	.	H	α-helix	trans	-59.3	-33	172.6	-164.8	-98.7	0	0	0	112.1	L367 A370 F1000 L1001	L367-F997 HydrophobicContact CD2-CD2 4.17Å; A370-F997 HydrophobicContact CB-CE2 4.33Å; F997-F1000 HydrophobicContact CD2-CD1 4.28Å; F997-F1000 HydrophobicContact CE2-CD1 4.27Å; F997-F1000 HydrophobicContact CE2-CE1 4.46Å; F997-F1000 PolarHBondContact O-N 3.49Å; F997-L1001 WeakPolarHBondContact O-CB 3.34Å; F997-L1001 PolarHBondContact O-N 3Å
998	K	89.2	Confident	88.1	Confident	161 Å²	161	57.9 Å²	57.9	70%	0.7	28%	0.283	S	S	*	.	H	α-helix	trans	-63.7	-50.3	175	-179	176.6	-179.4	173	0	111.8	S996 F1000 L1001 I1002	S996-K998 PolarHBondContact O-N 3.02Å; K998-F1000 VanDerWaalsContact C-N 3.28Å; K998-F1000 PolarHBondContact O-N 3.06Å; K998-L1001 PolarHBondContact O-N 3.12Å; K998-I1002 HydrophobicContact CG-CD1 4.47Å; K998-I1002 WeakPolarHBondContact O-CG1 3.26Å; K998-I1002 PolarHBondContact O-N 3.17Å; K998-I1002 VanDerWaalsContact O-N 3.16Å
999	T	87.9	Confident	88.5	Confident	36 Å²	36	59.5 Å²	59.5	22%	0.221	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-38.7	177.3	42.1	0	0	0	0	111.4	R993 S996 I1002 W1003	R993-T999 WeakPolarHBondContact O-CG2 3.26Å; S996-T999 WeakPolarHBondContact CA-OG1 3.45Å; S996-T999 PolarHBondContact N-OG1 2.8Å; S996-T999 PolarHBondContact O-N 2.91Å; S996-T999 PolarHBondContact O-OG1 3.26Å; S996-T999 PolarHBondContact OG-N 3.02Å; S996-T999 VanDerWaalsContact OG-N 3.14Å; S996-T999 PolarHBondContact OG-OG1 2.91Å; T999-I1002 PolarHBondContact O-N 3.39Å; T999-W1003 VanDerWaalsContact O-CD1 3.23Å; T999-W1003 PolarHBondContact O-N 3.01Å
1000	F	88.9	Confident	88.8	Confident	12 Å²	12	59.4 Å²	59.4	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-47.3	175.3	170.1	-102.3	0	0	0	112.2	L367 L371 M923 S996 F997 K998 I1002 W1003 V1004	L367-F1000 HydrophobicContact CD1-CB 4.37Å; L367-F1000 HydrophobicContact CD1-CD2 4.19Å; L367-F1000 HydrophobicContact CD1-CG 4.36Å; L367-F1000 HydrophobicContact CD2-CB 4.1Å; L367-F1000 HydrophobicContact CD2-CD1 3.99Å; L367-F1000 HydrophobicContact CD2-CD2 4.29Å; L367-F1000 HydrophobicContact CD2-CG 3.85Å; L371-F1000 HydrophobicContact CD1-CE2 4.13Å; L371-F1000 HydrophobicContact CD1-CZ 4.25Å; L371-F1000 HydrophobicContact CD2-CE2 4.02Å; L371-F1000 HydrophobicContact CD2-CZ 3.49Å; L371-F1000 VanDerWaalsContact CD2-CZ 3.49Å; L371-F1000 HydrophobicContact CG-CE2 4.05Å; L371-F1000 HydrophobicContact CG-CZ 3.64Å; M923-F1000 HydrophobicContact CE-CD2 4.34Å; M923-F1000 HydrophobicContact SD-CD2 4.27Å; M923-F1000 HydrophobicContact SD-CE2 3.97Å; S996-F1000 WeakPolarHBondContact O-CB 3.36Å; S996-F1000 PolarHBondContact O-N 2.91Å; F997-F1000 HydrophobicContact CD2-CD1 4.28Å; F997-F1000 HydrophobicContact CE2-CD1 4.27Å; F997-F1000 HydrophobicContact CE2-CE1 4.46Å; F997-F1000 PolarHBondContact O-N 3.49Å; K998-F1000 VanDerWaalsContact C-N 3.28Å; K998-F1000 PolarHBondContact O-N 3.06Å; F1000-I1002 VanDerWaalsContact C-N 3.29Å; F1000-I1002 PolarHBondContact O-N 3.48Å; F1000-W1003 WeakPolarHBondContact O-CB 3.28Å; F1000-W1003 PolarHBondContact O-N 3.02Å; F1000-W1003 VanDerWaalsContact O-N 3.07Å; F1000-V1004 HydrophobicContact CD1-CG2 4.23Å; F1000-V1004 HydrophobicContact CD2-CG2 4.49Å; F1000-V1004 HydrophobicContact CE1-CG2 3.77Å; F1000-V1004 HydrophobicContact CE2-CG2 4.06Å; F1000-V1004 HydrophobicContact CZ-CG2 3.67Å; F1000-V1004 WeakPolarHBondContact O-CG2 3.42Å; F1000-V1004 PolarHBondContact O-N 3.41Å
1001	L	90.8	Very high	89.3	Confident	87 Å²	87	57.6 Å²	57.6	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-37.5	177.6	-172.4	70.3	0	0	0	112.4	F997 K998 W1003 V1004 L1005	F997-L1001 WeakPolarHBondContact O-CB 3.34Å; F997-L1001 PolarHBondContact O-N 3Å; K998-L1001 PolarHBondContact O-N 3.12Å; L1001-W1003 VanDerWaalsContact C-N 3.33Å; L1001-W1003 PolarHBondContact O-N 2.87Å; L1001-V1004 WeakPolarHBondContact O-CB 3.31Å; L1001-V1004 PolarHBondContact O-N 2.84Å; L1001-L1005 WeakPolarHBondContact O-CG 3.35Å; L1001-L1005 PolarHBondContact O-N 3.45Å
1002	I	90.5	Very high	89.8	Confident	73 Å²	73	53.5 Å²	53.5	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-59.7	-45.8	174	-67.7	166.3	0	0	0	110.3	K998 T999 F1000 L1005 I1006	K998-I1002 HydrophobicContact CG-CD1 4.47Å; K998-I1002 WeakPolarHBondContact O-CG1 3.26Å; K998-I1002 PolarHBondContact O-N 3.17Å; K998-I1002 VanDerWaalsContact O-N 3.16Å; T999-I1002 PolarHBondContact O-N 3.39Å; F1000-I1002 VanDerWaalsContact C-N 3.29Å; F1000-I1002 PolarHBondContact O-N 3.48Å; I1002-L1005 PolarHBondContact O-N 3.45Å; I1002-I1006 HydrophobicContact CG2-CD1 3.93Å; I1002-I1006 VanDerWaalsContact O-CG1 3.28Å; I1002-I1006 WeakPolarHBondContact O-CG1 3.33Å; I1002-I1006 PolarHBondContact O-N 2.84Å
1003	W	91.1	Very high	90.4	Very high	35 Å²	35	54.7 Å²	54.7	13%	0.133	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-36.7	176.2	-80.7	108.9	0	0	0	113.2	Q920 F921 H924 T999 F1000 L1001 I1006 S1007 M1044	Q920-W1003 HydrophobicContact CB-CD2 4.47Å; Q920-W1003 HydrophobicContact CB-CG 4.37Å; F921-W1003 HydrophobicContact CD1-CH2 4.4Å; F921-W1003 HydrophobicContact CD2-CH2 4.37Å; F921-W1003 AromaticContact CE1-CH2 3.82Å; F921-W1003 HydrophobicContact CE1-CH2 3.82Å; F921-W1003 HydrophobicContact CE1-CZ3 4.17Å; F921-W1003 AromaticContact CE2-CH2 3.79Å; F921-W1003 HydrophobicContact CE2-CH2 3.79Å; F921-W1003 HydrophobicContact CE2-CZ2 4.12Å; F921-W1003 AromaticContact CZ-CH2 3.45Å; F921-W1003 HydrophobicContact CZ-CH2 3.45Å; F921-W1003 VanDerWaalsContact CZ-CH2 3.45Å; F921-W1003 HydrophobicContact CZ-CZ2 4.23Å; F921-W1003 HydrophobicContact CZ-CZ3 4.26Å; H924-W1003 HydrophobicContact CB-CE3 3.97Å; H924-W1003 HydrophobicContact CB-CZ3 4.33Å; H924-W1003 AromaticContact CD2-CZ3 3.95Å; H924-W1003 AromaticContact CG-CE3 3.88Å; T999-W1003 VanDerWaalsContact O-CD1 3.23Å; T999-W1003 PolarHBondContact O-N 3.01Å; F1000-W1003 WeakPolarHBondContact O-CB 3.28Å; F1000-W1003 PolarHBondContact O-N 3.02Å; F1000-W1003 VanDerWaalsContact O-N 3.07Å; L1001-W1003 VanDerWaalsContact C-N 3.33Å; L1001-W1003 PolarHBondContact O-N 2.87Å; W1003-I1006 HydrophobicContact CE3-CD1 4.35Å; W1003-I1006 PolarHBondContact O-N 3.24Å; W1003-S1007 PolarHBondContact O-N 3.04Å; W1003-S1007 PolarHBondContact O-OG 2.96Å; W1003-M1044 HydrophobicContact CH2-CE 3.9Å; W1003-M1044 HydrophobicContact CZ3-CE 3.76Å
1004	V	91.7	Very high	91	Very high	28 Å²	28	47 Å²	47	17%	0.17	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-48.5	172.6	174.4	0	0	0	0	110.2	M927 F1000 L1001 I1006 S1007 I1008	M927-V1004 HydrophobicContact CE-CG2 4.04Å; M927-V1004 HydrophobicContact SD-CB 4.2Å; M927-V1004 HydrophobicContact SD-CG1 4.38Å; M927-V1004 HydrophobicContact SD-CG2 3.61Å; F1000-V1004 HydrophobicContact CD1-CG2 4.23Å; F1000-V1004 HydrophobicContact CD2-CG2 4.49Å; F1000-V1004 HydrophobicContact CE1-CG2 3.77Å; F1000-V1004 HydrophobicContact CE2-CG2 4.06Å; F1000-V1004 HydrophobicContact CZ-CG2 3.67Å; F1000-V1004 WeakPolarHBondContact O-CG2 3.42Å; F1000-V1004 PolarHBondContact O-N 3.41Å; L1001-V1004 WeakPolarHBondContact O-CB 3.31Å; L1001-V1004 PolarHBondContact O-N 2.84Å; V1004-I1006 PolarHBondContact O-N 3.25Å; V1004-S1007 WeakPolarHBondContact O-CB 3.5Å; V1004-S1007 PolarHBondContact O-N 2.9Å; V1004-S1007 VanDerWaalsContact O-N 3.15Å; V1004-I1008 HydrophobicContact CG1-CD1 3.88Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.49Å; V1004-I1008 PolarHBondContact O-N 3.44Å
1005	L	93.3	Very high	91.5	Very high	106 Å²	106	46.1 Å²	46.1	56%	0.555	23%	0.23	S	C	*	.	H	α-helix	trans	-62.2	-41.5	178.8	-69.6	170.9	0	0	0	112.4	L1001 I1002 S1007 I1008 Y1009	L1001-L1005 WeakPolarHBondContact O-CG 3.35Å; L1001-L1005 PolarHBondContact O-N 3.45Å; I1002-L1005 PolarHBondContact O-N 3.45Å; L1005-S1007 VanDerWaalsContact C-N 3.31Å; L1005-S1007 PolarHBondContact O-N 2.98Å; L1005-I1008 PolarHBondContact O-N 3.4Å; L1005-Y1009 WeakPolarHBondContact O-CB 3.35Å; L1005-Y1009 PolarHBondContact O-N 3.37Å
1006	I	92.8	Very high	91.9	Very high	30 Å²	30	53.1 Å²	53.1	15%	0.154	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-44.9	174	-69	168.3	0	0	0	110.5	I1002 W1003 V1004 I1008 Y1009 Q1010 M1044 L1114	I1002-I1006 HydrophobicContact CG2-CD1 3.93Å; I1002-I1006 VanDerWaalsContact O-CG1 3.28Å; I1002-I1006 WeakPolarHBondContact O-CG1 3.33Å; I1002-I1006 PolarHBondContact O-N 2.84Å; W1003-I1006 HydrophobicContact CE3-CD1 4.35Å; W1003-I1006 PolarHBondContact O-N 3.24Å; V1004-I1006 PolarHBondContact O-N 3.25Å; I1006-I1008 PolarHBondContact O-N 2.98Å; I1006-Y1009 PolarHBondContact O-N 3.42Å; I1006-Q1010 HydrophobicContact CG2-CG 4.49Å; I1006-Q1010 WeakPolarHBondContact O-CG 3.34Å; I1006-Q1010 PolarHBondContact O-N 2.74Å; I1006-M1044 HydrophobicContact CG2-CE 4.49Å; I1006-L1114 HydrophobicContact CG1-CD2 4.04Å; I1006-L1114 HydrophobicContact CG2-CD1 3.62Å; I1006-L1114 HydrophobicContact CG2-CD2 4.3Å
1007	S	94.6	Very high	92	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-42.1	179.3	-46.9	0	0	0	0	112.3	H924 M927 W1003 V1004 L1005 G1011	H924-S1007 PolarHBondContact ND1-OG 3.26Å; M927-S1007 WeakPolarHBondContact CE-OG 3.43Å; W1003-S1007 PolarHBondContact O-N 3.04Å; W1003-S1007 PolarHBondContact O-OG 2.96Å; V1004-S1007 WeakPolarHBondContact O-CB 3.5Å; V1004-S1007 PolarHBondContact O-N 2.9Å; V1004-S1007 VanDerWaalsContact O-N 3.15Å; L1005-S1007 VanDerWaalsContact C-N 3.31Å; L1005-S1007 PolarHBondContact O-N 2.98Å; S1007-G1011 PolarHBondContact O-N 2.85Å
1008	I	94.4	Very high	92.1	Very high	87 Å²	87	46.1 Å²	46.1	45%	0.446	23%	0.226	S	C	.	.	H	α-helix	trans	-65.1	-44.8	178.5	-68.6	168	0	0	0	110.4	T931 V1004 L1005 I1006 G1012	T931-I1008 HydrophobicContact CG2-CB 4.46Å; T931-I1008 HydrophobicContact CG2-CG2 4.33Å; V1004-I1008 HydrophobicContact CG1-CD1 3.88Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.49Å; V1004-I1008 PolarHBondContact O-N 3.44Å; L1005-I1008 PolarHBondContact O-N 3.4Å; I1006-I1008 PolarHBondContact O-N 2.98Å; I1008-G1012 PolarHBondContact O-N 3.47Å
1009	Y	95.3	Very high	92	Very high	86 Å²	86	39.7 Å²	39.7	34%	0.337	20%	0.199	S	C	.	.	H	α-helix	trans	-59.4	-52.8	176.9	170.7	-96.9	0	0	0	111.8	L1005 I1006 G1012 I1013 V1109 P1113 L1114	L1005-Y1009 WeakPolarHBondContact O-CB 3.35Å; L1005-Y1009 PolarHBondContact O-N 3.37Å; I1006-Y1009 PolarHBondContact O-N 3.42Å; Y1009-G1012 PolarHBondContact O-N 3.43Å; Y1009-I1013 HydrophobicContact CD1-CD1 3.99Å; Y1009-I1013 HydrophobicContact CD2-CD1 3.82Å; Y1009-I1013 HydrophobicContact CE1-CD1 3.43Å; Y1009-I1013 VanDerWaalsContact CE1-CD1 3.43Å; Y1009-I1013 HydrophobicContact CE2-CD1 3.26Å; Y1009-I1013 HydrophobicContact CE2-CG1 4.43Å; Y1009-I1013 HydrophobicContact CG-CD1 4.15Å; Y1009-I1013 WeakPolarHBondContact O-CG1 3.32Å; Y1009-I1013 PolarHBondContact O-N 3.19Å; Y1009-I1013 WeakPolarHBondContact OH-CD1 3.47Å; Y1009-V1109 PolarHBondContact OH-O 2.95Å; Y1009-V1109 VanDerWaalsContact OH-O 3.11Å; Y1009-P1113 WeakPolarHBondContact OH-CG 3.44Å; Y1009-L1114 HydrophobicContact CD1-CD1 4.34Å; Y1009-L1114 HydrophobicContact CD1-CD2 4.2Å; Y1009-L1114 HydrophobicContact CD1-CG 4.3Å; Y1009-L1114 HydrophobicContact CE1-CD2 4.41Å; Y1009-L1114 HydrophobicContact CE1-CG 4.21Å
1010	Q	94.6	Very high	92.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-45.9	-178.4	-69.2	-172.9	-60.4	0	0	112	H924 I928 I1006 G1012 I1013 L1014 S1110 L1114	H924-Q1010 PolarHBondContact CE1-OE1 2.95Å; H924-Q1010 PolarHBondContact NE2-OE1 2.74Å; I928-Q1010 HydrophobicContact CD1-CB 4.31Å; I928-Q1010 HydrophobicContact CG1-CB 4.42Å; I1006-Q1010 HydrophobicContact CG2-CG 4.49Å; I1006-Q1010 WeakPolarHBondContact O-CG 3.34Å; I1006-Q1010 PolarHBondContact O-N 2.74Å; Q1010-G1012 VanDerWaalsContact C-N 3.3Å; Q1010-G1012 PolarHBondContact O-N 3.36Å; Q1010-I1013 PolarHBondContact O-N 3.39Å; Q1010-L1014 WeakPolarHBondContact O-CB 3.48Å; Q1010-L1014 WeakPolarHBondContact O-CG 3.32Å; Q1010-L1014 PolarHBondContact O-N 3.27Å; Q1010-S1110 WeakPolarHBondContact CB-OG 3.42Å; Q1010-S1110 WeakPolarHBondContact CG-OG 3.35Å; Q1010-S1110 PolarHBondContact NE2-O 3.03Å; Q1010-L1114 VanDerWaalsContact CD-CD1 3.49Å; Q1010-L1114 HydrophobicContact CG-CD1 3.71Å
1011	G	94.5	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-37	177	0	0	0	0	0	112.9	M932 S1007 M1015	M932-G1011 WeakPolarHBondContact CG-O 3.29Å; S1007-G1011 PolarHBondContact O-N 2.85Å; G1011-M1015 PolarHBondContact O-N 2.89Å
1012	G	94.1	Very high	91.5	Very high	20 Å²	20	40 Å²	40	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-48.6	174.3	0	0	0	0	0	112.4	I1008 Y1009 Q1010 M1015 Y1016	I1008-G1012 PolarHBondContact O-N 3.47Å; Y1009-G1012 PolarHBondContact O-N 3.43Å; Q1010-G1012 VanDerWaalsContact C-N 3.3Å; Q1010-G1012 PolarHBondContact O-N 3.36Å; G1012-M1015 PolarHBondContact O-N 3.42Å; G1012-Y1016 WeakPolarHBondContact O-CB 3.43Å; G1012-Y1016 PolarHBondContact O-N 2.98Å
1013	I	94.6	Very high	90.8	Very high	35 Å²	35	44.3 Å²	44.3	18%	0.179	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-43.8	178.9	-74	166.4	0	0	0	112	Y1009 Q1010 M1015 G1017 V1109	Y1009-I1013 HydrophobicContact CD1-CD1 3.99Å; Y1009-I1013 HydrophobicContact CD2-CD1 3.82Å; Y1009-I1013 HydrophobicContact CE1-CD1 3.43Å; Y1009-I1013 VanDerWaalsContact CE1-CD1 3.43Å; Y1009-I1013 HydrophobicContact CE2-CD1 3.26Å; Y1009-I1013 HydrophobicContact CE2-CG1 4.43Å; Y1009-I1013 HydrophobicContact CG-CD1 4.15Å; Y1009-I1013 WeakPolarHBondContact O-CG1 3.32Å; Y1009-I1013 PolarHBondContact O-N 3.19Å; Y1009-I1013 WeakPolarHBondContact OH-CD1 3.47Å; Q1010-I1013 PolarHBondContact O-N 3.39Å; I1013-M1015 VanDerWaalsContact C-N 3.26Å; I1013-M1015 PolarHBondContact O-N 3.14Å; I1013-G1017 VanDerWaalsContact O-CA 3.31Å; I1013-G1017 WeakPolarHBondContact O-CA 3.3Å; I1013-G1017 PolarHBondContact O-N 2.72Å; I1013-V1109 HydrophobicContact CD1-CG1 4.3Å; I1013-V1109 HydrophobicContact CG2-CB 4.46Å; I1013-V1109 HydrophobicContact CG2-CG1 4.1Å
1014	L	93.9	Very high	89.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-45.3	178.6	-75.3	170	0	0	0	110.8	I928 M932 Q1010 A1018 A1036 L1037 T1040 I1106	I928-L1014 HydrophobicContact CG2-CD1 3.82Å; M932-L1014 HydrophobicContact CE-CB 3.8Å; M932-L1014 HydrophobicContact CG-CB 4.36Å; M932-L1014 HydrophobicContact SD-CB 4.06Å; M932-L1014 HydrophobicContact SD-CD1 4Å; Q1010-L1014 WeakPolarHBondContact O-CB 3.48Å; Q1010-L1014 WeakPolarHBondContact O-CG 3.32Å; Q1010-L1014 PolarHBondContact O-N 3.27Å; L1014-A1018 VanDerWaalsContact O-CB 3.31Å; L1014-A1018 WeakPolarHBondContact O-CB 3.5Å; L1014-A1018 PolarHBondContact O-N 3.49Å; L1014-A1036 HydrophobicContact CD2-CB 3.69Å; L1014-L1037 HydrophobicContact CD1-CB 4.46Å; L1014-L1037 HydrophobicContact CD1-CD1 3.92Å; L1014-T1040 HydrophobicContact CD1-CG2 4.46Å; L1014-I1106 HydrophobicContact CD2-CG2 3.93Å
1015	M	92.8	Very high	89	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-79.2	-49.2	-177	-171.4	48.4	140.3	0	0	113.1	M932 V935 F936 L947 G1011 G1012 I1013 G1017 A1018 L1019	M932-M1015 HydrophobicContact CB-CB 4.33Å; M932-M1015 HydrophobicContact CG-CB 4.35Å; V935-M1015 HydrophobicContact CB-CB 4.19Å; V935-M1015 HydrophobicContact CB-CG 3.95Å; V935-M1015 HydrophobicContact CG1-CB 4.04Å; V935-M1015 HydrophobicContact CG1-CG 3.67Å; F936-M1015 HydrophobicContact CB-CE 3.33Å; F936-M1015 HydrophobicContact CD2-CE 3.29Å; F936-M1015 HydrophobicContact CE2-CE 4.35Å; F936-M1015 HydrophobicContact CG-CE 3.68Å; L947-M1015 HydrophobicContact CD1-CE 3.65Å; L947-M1015 HydrophobicContact CD2-CE 3.73Å; L947-M1015 HydrophobicContact CG-CE 4.33Å; G1011-M1015 PolarHBondContact O-N 2.89Å; G1012-M1015 PolarHBondContact O-N 3.42Å; I1013-M1015 VanDerWaalsContact C-N 3.26Å; I1013-M1015 PolarHBondContact O-N 3.14Å; M1015-G1017 VanDerWaalsContact C-N 3.32Å; M1015-G1017 PolarHBondContact O-N 2.91Å; M1015-A1018 PolarHBondContact O-N 3.05Å; M1015-L1019 WeakPolarHBondContact O-CG 3.44Å; M1015-L1019 PolarHBondContact O-N 3.48Å; M1015-L1019 VanDerWaalsContact O-N 3.07Å
1016	Y	91.3	Very high	88	Confident	157 Å²	157	48.3 Å²	48.3	62%	0.616	25%	0.247	S	C	*	.	H	α-helix	trans	-63.1	-40.4	178.7	-173.7	-100.3	0	0	0	111.7	G1012 L1019 V1020	G1012-Y1016 WeakPolarHBondContact O-CB 3.43Å; G1012-Y1016 PolarHBondContact O-N 2.98Å; Y1016-L1019 PolarHBondContact O-N 3.16Å; Y1016-V1020 HydrophobicContact CD1-CG2 4.06Å; Y1016-V1020 HydrophobicContact CD2-CG2 4.49Å; Y1016-V1020 HydrophobicContact CE1-CG2 3.64Å; Y1016-V1020 HydrophobicContact CE2-CG2 4.12Å; Y1016-V1020 HydrophobicContact CG-CG2 4.47Å; Y1016-V1020 WeakPolarHBondContact O-CG2 3.44Å; Y1016-V1020 PolarHBondContact O-N 3.07Å
1017	G	90.3	Very high	86.9	Confident	12 Å²	12	52.6 Å²	52.6	12%	0.124	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-41.5	174.8	0	0	0	0	0	112.5	I1013 M1015 L1019 V1020 L1021	I1013-G1017 VanDerWaalsContact O-CA 3.31Å; I1013-G1017 WeakPolarHBondContact O-CA 3.3Å; I1013-G1017 PolarHBondContact O-N 2.72Å; M1015-G1017 VanDerWaalsContact C-N 3.32Å; M1015-G1017 PolarHBondContact O-N 2.91Å; G1017-L1019 VanDerWaalsContact C-N 3.32Å; G1017-L1019 PolarHBondContact O-N 3.19Å; G1017-V1020 PolarHBondContact O-N 3.01Å; G1017-L1021 WeakPolarHBondContact O-CB 3.42Å; G1017-L1021 PolarHBondContact O-N 3.23Å
1018	A	88.7	Confident	86	Confident	3 Å²	3	54.9 Å²	54.9	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-38.7	174.4	0	0	0	0	0	112.2	L1014 M1015 F1022 I1032	L1014-A1018 VanDerWaalsContact O-CB 3.31Å; L1014-A1018 WeakPolarHBondContact O-CB 3.5Å; L1014-A1018 PolarHBondContact O-N 3.49Å; M1015-A1018 PolarHBondContact O-N 3.05Å; A1018-F1022 WeakPolarHBondContact O-CB 3.41Å; A1018-F1022 PolarHBondContact O-N 3.12Å; A1018-I1032 HydrophobicContact CB-CG2 4.2Å
1019	L	86.9	Confident	85.4	Confident	27 Å²	27	51.3 Å²	51.3	14%	0.141	27%	0.268	C	S	.	.	H	α-helix	trans	-70.1	-42	178.3	-66.4	173.7	0	0	0	112.9	V939 M1015 Y1016 G1017 E1023 F1026 V1029	V939-L1019 HydrophobicContact CB-CD1 4.5Å; V939-L1019 HydrophobicContact CG1-CD1 4.33Å; V939-L1019 HydrophobicContact CG2-CD1 3.86Å; M1015-L1019 WeakPolarHBondContact O-CG 3.44Å; M1015-L1019 PolarHBondContact O-N 3.48Å; M1015-L1019 VanDerWaalsContact O-N 3.07Å; Y1016-L1019 PolarHBondContact O-N 3.16Å; G1017-L1019 VanDerWaalsContact C-N 3.32Å; G1017-L1019 PolarHBondContact O-N 3.19Å; L1019-E1023 PolarHBondContact O-N 3.02Å; L1019-F1026 HydrophobicContact CD2-CD2 4.01Å; L1019-F1026 HydrophobicContact CD2-CE2 3.51Å; L1019-V1029 HydrophobicContact CD2-CG2 4.32Å
1020	V	88.2	Confident	84.8	Confident	80 Å²	80	49 Å²	49	49%	0.485	26%	0.262	S	S	.	.	H	α-helix	trans	-79.2	-43.6	-175.7	174.1	0	0	0	0	112.6	Y1016 G1017 F1022	Y1016-V1020 HydrophobicContact CD1-CG2 4.06Å; Y1016-V1020 HydrophobicContact CD2-CG2 4.49Å; Y1016-V1020 HydrophobicContact CE1-CG2 3.64Å; Y1016-V1020 HydrophobicContact CE2-CG2 4.12Å; Y1016-V1020 HydrophobicContact CG-CG2 4.47Å; Y1016-V1020 WeakPolarHBondContact O-CG2 3.44Å; Y1016-V1020 PolarHBondContact O-N 3.07Å; G1017-V1020 PolarHBondContact O-N 3.01Å; V1020-F1022 VanDerWaalsContact C-N 3.32Å; V1020-F1022 PolarHBondContact O-N 3.42Å
1021	L	85.3	Confident	84.2	Confident	59 Å²	59	49.2 Å²	49.2	31%	0.309	26%	0.264	S	S	.	.	H	α-helix	trans	-77.4	-19	-175.8	-77	158.7	0	0	0	113.4	G1017 W1101 K1102 I1106	G1017-L1021 WeakPolarHBondContact O-CB 3.42Å; G1017-L1021 PolarHBondContact O-N 3.23Å; L1021-W1101 HydrophobicContact CD2-CH2 4.33Å; L1021-K1102 HydrophobicContact CB-CD 4.41Å; L1021-K1102 HydrophobicContact CD2-CG 4.45Å; L1021-K1102 WeakPolarHBondContact O-CE 3.28Å; L1021-K1102 PolarHBondContact O-NZ 3.06Å; L1021-I1106 HydrophobicContact CD1-CD1 3.86Å; L1021-I1106 HydrophobicContact CD1-CG1 3.47Å; L1021-I1106 VanDerWaalsContact CD1-CG1 3.47Å
1022	F	81.8	Confident	83.7	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.013	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	36.9	-176	-65.5	-92.2	0	0	0	112.5	A1018 V1020 S1024 E1025 F1026 I1032 F1093 F1099 K1102 V1103 I1106	A1018-F1022 WeakPolarHBondContact O-CB 3.41Å; A1018-F1022 PolarHBondContact O-N 3.12Å; V1020-F1022 VanDerWaalsContact C-N 3.32Å; V1020-F1022 PolarHBondContact O-N 3.42Å; F1022-S1024 PolarHBondContact O-N 3.41Å; F1022-E1025 VanDerWaalsContact CD1-OE2 3.27Å; F1022-E1025 WeakPolarHBondContact CD1-OE2 3.14Å; F1022-E1025 CarbonylContact O-C 3.57Å; F1022-E1025 PolarHBondContact O-N 2.88Å; F1022-F1026 PolarHBondContact O-N 3.46Å; F1022-I1032 HydrophobicContact CB-CD1 3.72Å; F1022-I1032 HydrophobicContact CD1-CD1 3.53Å; F1022-I1032 HydrophobicContact CD1-CG1 4.28Å; F1022-I1032 HydrophobicContact CD2-CD1 4.06Å; F1022-I1032 HydrophobicContact CD2-CG2 3.6Å; F1022-I1032 HydrophobicContact CE1-CD1 4.01Å; F1022-I1032 HydrophobicContact CE1-CG1 4.28Å; F1022-I1032 HydrophobicContact CE2-CD1 4.48Å; F1022-I1032 HydrophobicContact CE2-CG2 3.47Å; F1022-I1032 VanDerWaalsContact CE2-CG2 3.47Å; F1022-I1032 HydrophobicContact CG-CD1 3.53Å; F1022-I1032 HydrophobicContact CG-CG1 4.38Å; F1022-I1032 HydrophobicContact CG-CG2 4.24Å; F1022-I1032 HydrophobicContact CZ-CD1 4.44Å; F1022-I1032 HydrophobicContact CZ-CG1 4.36Å; F1022-I1032 HydrophobicContact CZ-CG2 4.03Å; F1022-F1093 HydrophobicContact CE1-CZ 4.48Å; F1022-F1099 HydrophobicContact CE1-CD2 4.34Å; F1022-F1099 HydrophobicContact CZ-CD2 4.38Å; F1022-K1102 HydrophobicContact CD1-CD 4.02Å; F1022-K1102 HydrophobicContact CD2-CB 4.48Å; F1022-K1102 HydrophobicContact CD2-CD 4.25Å; F1022-K1102 HydrophobicContact CE1-CB 4.28Å; F1022-K1102 HydrophobicContact CE1-CD 3.59Å; F1022-K1102 HydrophobicContact CE2-CB 3.46Å; F1022-K1102 VanDerWaalsContact CE2-CB 3.46Å; F1022-K1102 HydrophobicContact CE2-CD 3.83Å; F1022-K1102 HydrophobicContact CE2-CG 4.29Å; F1022-K1102 HydrophobicContact CG-CD 4.36Å; F1022-K1102 HydrophobicContact CZ-CB 3.35Å; F1022-K1102 HydrophobicContact CZ-CD 3.5Å; F1022-K1102 HydrophobicContact CZ-CG 4.09Å; F1022-V1103 HydrophobicContact CE2-CG2 4.43Å; F1022-V1103 HydrophobicContact CZ-CG2 4.21Å; F1022-I1106 HydrophobicContact CE2-CD1 4.2Å
1023	E	77.3	Confident	83.5	Confident	163 Å²	163	48.3 Å²	48.3	76%	0.762	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-53.9	-38.4	179	-169.3	177.4	-172.8	0	0	112.6	L1019 E1025	L1019-E1023 PolarHBondContact O-N 3.02Å; E1023-E1025 VanDerWaalsContact C-N 3.32Å; E1023-E1025 PolarHBondContact O-N 3.46Å
1024	S	72.2	Confident	83.2	Confident	106 Å²	106	46.7 Å²	46.7	74%	0.741	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-75.4	-13.6	178.6	57.7	0	0	0	0	114.9	F1022	F1022-S1024 PolarHBondContact O-N 3.41Å
1025	E	72.4	Confident	83	Confident	58 Å²	58	47 Å²	47	27%	0.271	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-127	30.5	-170.4	-68.9	168.1	175.9	0	0	111.5	F1022 E1023 V1027 H1028 F1093	F1022-E1025 VanDerWaalsContact CD1-OE2 3.27Å; F1022-E1025 WeakPolarHBondContact CD1-OE2 3.14Å; F1022-E1025 CarbonylContact O-C 3.57Å; F1022-E1025 PolarHBondContact O-N 2.88Å; E1023-E1025 VanDerWaalsContact C-N 3.32Å; E1023-E1025 PolarHBondContact O-N 3.46Å; E1025-V1027 PolarHBondContact O-N 2.89Å; E1025-H1028 PolarHBondContact O-N 2.93Å; E1025-F1093 HydrophobicContact CB-CZ 4.38Å; E1025-F1093 HydrophobicContact CG-CE2 4.31Å; E1025-F1093 HydrophobicContact CG-CZ 4.45Å; E1025-F1093 WeakPolarHBondContact OE2-CE2 3.24Å; E1025-F1093 WeakPolarHBondContact OE2-CZ 3.47Å
1026	F	72.2	Confident	83	Confident	88 Å²	88	47 Å²	47	39%	0.386	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-54	-27.5	-175.6	-174.2	-104.6	0	0	0	114.6	F940 L1019 F1022 H1028 V1029	F940-F1026 AromaticContact CE1-CE1 3.88Å; F940-F1026 HydrophobicContact CE1-CE1 3.88Å; F940-F1026 AromaticContact CE1-CZ 3.71Å; F940-F1026 HydrophobicContact CE1-CZ 3.71Å; F940-F1026 HydrophobicContact CE2-CE1 4.48Å; F940-F1026 HydrophobicContact CE2-CE2 4.27Å; F940-F1026 AromaticContact CE2-CZ 3.61Å; F940-F1026 HydrophobicContact CE2-CZ 3.61Å; F940-F1026 AromaticContact CZ-CE1 3.5Å; F940-F1026 HydrophobicContact CZ-CE1 3.5Å; F940-F1026 VanDerWaalsContact CZ-CE1 3.5Å; F940-F1026 HydrophobicContact CZ-CE2 4.03Å; F940-F1026 AromaticContact CZ-CZ 3.02Å; F940-F1026 HydrophobicContact CZ-CZ 3.02Å; L1019-F1026 HydrophobicContact CD2-CD2 4.01Å; L1019-F1026 HydrophobicContact CD2-CE2 3.51Å; F1022-F1026 PolarHBondContact O-N 3.46Å; F1026-H1028 PolarHBondContact O-N 3.48Å; F1026-V1029 VanDerWaalsContact O-CB 3.25Å; F1026-V1029 WeakPolarHBondContact O-CB 3.17Å; F1026-V1029 VanDerWaalsContact O-CG1 3.27Å; F1026-V1029 WeakPolarHBondContact O-CG1 3.25Å; F1026-V1029 PolarHBondContact O-N 3.48Å; F1026-V1029 VanDerWaalsContact O-N 3.08Å
1027	V	69.9	Low	83.1	Confident	121 Å²	121	39.6 Å²	39.6	73%	0.733	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-59.3	-30.2	175.9	-177.4	0	0	0	0	111.7	E1025	E1025-V1027 PolarHBondContact O-N 2.89Å
1028	H	74.9	Confident	83.2	Confident	47 Å²	47	39 Å²	39	22%	0.218	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-95.8	13.2	179.1	-58.3	-64.8	0	0	0	113.7	E1025 F1026 V1030 A1031 I1032 F1093	E1025-H1028 PolarHBondContact O-N 2.93Å; F1026-H1028 PolarHBondContact O-N 3.48Å; H1028-V1030 PolarHBondContact O-N 3.42Å; H1028-V1030 VanDerWaalsContact O-N 3.1Å; H1028-A1031 PolarHBondContact O-N 3.06Å; H1028-I1032 HydrophobicContact CB-CD1 4.15Å; H1028-I1032 WeakPolarHBondContact O-CD1 3.3Å; H1028-I1032 WeakPolarHBondContact O-CG1 3.41Å; H1028-I1032 PolarHBondContact O-N 2.99Å; H1028-F1093 HydrophobicContact CB-CE1 3.93Å; H1028-F1093 HydrophobicContact CB-CZ 4.47Å
1029	V	81.7	Confident	83.4	Confident	13 Å²	13	41.4 Å²	41.4	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-53.8	-34.9	-177.9	68.7	0	0	0	0	112.7	L1019 F1026 S1033	L1019-V1029 HydrophobicContact CD2-CG2 4.32Å; F1026-V1029 VanDerWaalsContact O-CB 3.25Å; F1026-V1029 WeakPolarHBondContact O-CB 3.17Å; F1026-V1029 VanDerWaalsContact O-CG1 3.27Å; F1026-V1029 WeakPolarHBondContact O-CG1 3.25Å; F1026-V1029 PolarHBondContact O-N 3.48Å; F1026-V1029 VanDerWaalsContact O-N 3.08Å; V1029-S1033 WeakPolarHBondContact O-CB 3.44Å; V1029-S1033 PolarHBondContact O-N 2.93Å; V1029-S1033 PolarHBondContact O-OG 3.35Å
1030	V	83.1	Confident	83.7	Confident	37 Å²	37	40.1 Å²	40.1	22%	0.224	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-47	178	175.1	0	0	0	0	111.2	Y948 L952 H1028 S1033 F1034	Y948-V1030 HydrophobicContact CD1-CG1 4.08Å; Y948-V1030 HydrophobicContact CE1-CG1 4.39Å; L952-V1030 HydrophobicContact CD2-CG1 4.43Å; H1028-V1030 PolarHBondContact O-N 3.42Å; H1028-V1030 VanDerWaalsContact O-N 3.1Å; V1030-S1033 PolarHBondContact O-OG 3.5Å; V1030-F1034 WeakPolarHBondContact O-CB 3.22Å; V1030-F1034 PolarHBondContact O-N 2.64Å
1031	A	81.4	Confident	83.9	Confident	5 Å²	5	36.5 Å²	36.5	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-48.6	178.9	0	0	0	0	0	111	H1028 F1034 T1035 F1078	H1028-A1031 PolarHBondContact O-N 3.06Å; A1031-F1034 PolarHBondContact O-N 2.97Å; A1031-T1035 WeakPolarHBondContact O-CB 3.43Å; A1031-T1035 PolarHBondContact O-N 3.07Å; A1031-T1035 PolarHBondContact O-OG1 3.48Å; A1031-F1078 HydrophobicContact CB-CD1 3.96Å
1032	I	85.1	Confident	84.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-53.8	-179.1	-64.3	157.6	0	0	0	111.2	A1018 F1022 H1028 F1034 T1035 A1036 F1093 F1099 V1103	A1018-I1032 HydrophobicContact CB-CG2 4.2Å; F1022-I1032 HydrophobicContact CB-CD1 3.72Å; F1022-I1032 HydrophobicContact CD1-CD1 3.53Å; F1022-I1032 HydrophobicContact CD1-CG1 4.28Å; F1022-I1032 HydrophobicContact CD2-CD1 4.06Å; F1022-I1032 HydrophobicContact CD2-CG2 3.6Å; F1022-I1032 HydrophobicContact CE1-CD1 4.01Å; F1022-I1032 HydrophobicContact CE1-CG1 4.28Å; F1022-I1032 HydrophobicContact CE2-CD1 4.48Å; F1022-I1032 HydrophobicContact CE2-CG2 3.47Å; F1022-I1032 VanDerWaalsContact CE2-CG2 3.47Å; F1022-I1032 HydrophobicContact CG-CD1 3.53Å; F1022-I1032 HydrophobicContact CG-CG1 4.38Å; F1022-I1032 HydrophobicContact CG-CG2 4.24Å; F1022-I1032 HydrophobicContact CZ-CD1 4.44Å; F1022-I1032 HydrophobicContact CZ-CG1 4.36Å; F1022-I1032 HydrophobicContact CZ-CG2 4.03Å; H1028-I1032 HydrophobicContact CB-CD1 4.15Å; H1028-I1032 WeakPolarHBondContact O-CD1 3.3Å; H1028-I1032 WeakPolarHBondContact O-CG1 3.41Å; H1028-I1032 PolarHBondContact O-N 2.99Å; I1032-F1034 VanDerWaalsContact C-N 3.35Å; I1032-F1034 PolarHBondContact O-N 3.23Å; I1032-T1035 PolarHBondContact O-N 3.12Å; I1032-A1036 WeakPolarHBondContact O-CB 3.4Å; I1032-A1036 PolarHBondContact O-N 3.37Å; I1032-F1093 HydrophobicContact CD1-CZ 4.47Å; I1032-F1093 HydrophobicContact CG1-CE1 4.46Å; I1032-F1099 HydrophobicContact CB-CE2 4.44Å; I1032-F1099 HydrophobicContact CG1-CD2 4.19Å; I1032-F1099 HydrophobicContact CG1-CE2 3.74Å; I1032-V1103 HydrophobicContact CG2-CG2 4.26Å
1033	S	89	Confident	84.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.9	-34.1	-176.2	61.7	0	0	0	0	112.3	Y948 V1029 V1030 L1037	Y948-S1033 PolarHBondContact OH-O 3.29Å; Y948-S1033 PolarHBondContact OH-OG 2.91Å; V1029-S1033 WeakPolarHBondContact O-CB 3.44Å; V1029-S1033 PolarHBondContact O-N 2.93Å; V1029-S1033 PolarHBondContact O-OG 3.35Å; V1030-S1033 PolarHBondContact O-OG 3.5Å; S1033-L1037 VanDerWaalsContact O-CB 3.26Å; S1033-L1037 WeakPolarHBondContact O-CB 3.33Å; S1033-L1037 PolarHBondContact O-N 2.9Å
1034	F	89.6	Confident	85.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-72.8	-40.2	176.5	-165.8	-100.5	0	0	0	112.6	Y948 L952 Y956 Y960 V1030 A1031 I1032 L1037 V1038 Y1067 F1078	Y948-F1034 HydrophobicContact CD1-CB 4.44Å; Y948-F1034 AromaticContact CD1-CD2 3.93Å; Y948-F1034 HydrophobicContact CD1-CD2 3.93Å; Y948-F1034 HydrophobicContact CD2-CD2 4.37Å; Y948-F1034 HydrophobicContact CE1-CB 3.79Å; Y948-F1034 AromaticContact CE1-CD2 3.83Å; Y948-F1034 HydrophobicContact CE1-CD2 3.83Å; Y948-F1034 HydrophobicContact CE1-CG 4.29Å; Y948-F1034 HydrophobicContact CE2-CD2 4.27Å; Y948-F1034 HydrophobicContact CG-CD2 4.21Å; Y948-F1034 AromaticContact CZ-CD2 3.99Å; Y948-F1034 PolarHBondContact OH-N 2.89Å; L952-F1034 HydrophobicContact CB-CE1 4.48Å; L952-F1034 HydrophobicContact CB-CE2 4.03Å; L952-F1034 HydrophobicContact CB-CZ 3.96Å; L952-F1034 HydrophobicContact CD2-CB 4.31Å; L952-F1034 HydrophobicContact CD2-CD1 3.73Å; L952-F1034 HydrophobicContact CD2-CD2 3.96Å; L952-F1034 HydrophobicContact CD2-CE1 3.91Å; L952-F1034 HydrophobicContact CD2-CE2 4.14Å; L952-F1034 HydrophobicContact CD2-CG 3.74Å; L952-F1034 HydrophobicContact CD2-CZ 4.1Å; L952-F1034 HydrophobicContact CG-CE1 4.38Å; L952-F1034 HydrophobicContact CG-CZ 4.35Å; L952-F1034 WeakPolarHBondContact O-CZ 3.42Å; Y956-F1034 HydrophobicContact CD2-CE2 4.34Å; Y956-F1034 HydrophobicContact CD2-CZ 4.46Å; Y956-F1034 HydrophobicContact CG-CE2 4.49Å; Y960-F1034 HydrophobicContact CD2-CE1 4.02Å; Y960-F1034 AromaticContact CD2-CZ 3.93Å; Y960-F1034 HydrophobicContact CD2-CZ 3.93Å; Y960-F1034 AromaticContact CE2-CE1 3.96Å; Y960-F1034 HydrophobicContact CE2-CE1 3.96Å; Y960-F1034 AromaticContact CE2-CZ 3.98Å; Y960-F1034 HydrophobicContact CE2-CZ 3.98Å; V1030-F1034 WeakPolarHBondContact O-CB 3.22Å; V1030-F1034 PolarHBondContact O-N 2.64Å; A1031-F1034 PolarHBondContact O-N 2.97Å; I1032-F1034 VanDerWaalsContact C-N 3.35Å; I1032-F1034 PolarHBondContact O-N 3.23Å; F1034-L1037 HydrophobicContact CD2-CD2 4.46Å; F1034-L1037 WeakPolarHBondContact O-CB 3.25Å; F1034-L1037 PolarHBondContact O-N 2.85Å; F1034-V1038 HydrophobicContact CD1-CG2 4.25Å; F1034-V1038 HydrophobicContact CE1-CG2 4Å; F1034-V1038 HydrophobicContact CZ-CG2 4.35Å; F1034-V1038 WeakPolarHBondContact O-CG2 3.38Å; F1034-V1038 PolarHBondContact O-N 2.97Å; F1034-Y1067 AromaticContact CD1-CE2 3.85Å; F1034-Y1067 HydrophobicContact CD1-CE2 3.85Å; F1034-Y1067 HydrophobicContact CE1-CD2 4.39Å; F1034-Y1067 AromaticContact CE1-CE2 3.87Å; F1034-Y1067 HydrophobicContact CE1-CE2 3.87Å; F1034-F1078 HydrophobicContact CD1-CE1 4.04Å; F1034-F1078 HydrophobicContact CD1-CZ 4.33Å
1035	T	89.5	Confident	86.1	Confident	8 Å²	8	25.3 Å²	25.3	5%	0.049	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-47.4	172.6	-54	0	0	0	0	110.9	A1031 I1032 L1037 V1038 L1039 Y1067 F1099 V1103	A1031-T1035 WeakPolarHBondContact O-CB 3.43Å; A1031-T1035 PolarHBondContact O-N 3.07Å; A1031-T1035 PolarHBondContact O-OG1 3.48Å; I1032-T1035 PolarHBondContact O-N 3.12Å; T1035-L1037 VanDerWaalsContact C-N 3.31Å; T1035-L1037 PolarHBondContact O-N 3.43Å; T1035-V1038 PolarHBondContact O-N 3.25Å; T1035-L1039 HydrophobicContact CG2-CD1 3.98Å; T1035-L1039 HydrophobicContact CG2-CG 4.45Å; T1035-L1039 WeakPolarHBondContact O-CB 3.38Å; T1035-L1039 WeakPolarHBondContact O-CG 3.33Å; T1035-L1039 PolarHBondContact O-N 3.47Å; T1035-Y1067 WeakPolarHBondContact CA-OH 3.43Å; T1035-Y1067 VanDerWaalsContact CB-OH 3.29Å; T1035-Y1067 WeakPolarHBondContact CB-OH 3.49Å; T1035-Y1067 HydrophobicContact CG2-CE1 4.08Å; T1035-Y1067 PolarHBondContact OG1-OH 3.47Å; T1035-F1099 HydrophobicContact CG2-CE1 4.26Å; T1035-F1099 HydrophobicContact CG2-CZ 4.21Å; T1035-V1103 HydrophobicContact CG2-CG1 4.13Å
1036	A	91.5	Very high	87	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-39.1	177.4	0	0	0	0	0	111.9	L1014 I1032 T1040 V1103 I1106 T1107	L1014-A1036 HydrophobicContact CD2-CB 3.69Å; I1032-A1036 WeakPolarHBondContact O-CB 3.4Å; I1032-A1036 PolarHBondContact O-N 3.37Å; A1036-T1040 WeakPolarHBondContact O-CB 3.41Å; A1036-T1040 PolarHBondContact O-N 3.47Å; A1036-T1040 PolarHBondContact O-OG1 3.46Å; A1036-V1103 HydrophobicContact CB-CG1 4.2Å; A1036-I1106 HydrophobicContact CB-CG2 4.18Å; A1036-T1107 HydrophobicContact CB-CG2 4.28Å
1037	L	93.6	Very high	87.7	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-52.1	176.2	174.2	63.6	0	0	0	112	I928 I929 M932 Y948 Y956 L1014 S1033 F1034 T1035 T1040 E1041	I928-L1037 HydrophobicContact CB-CD1 4.37Å; I928-L1037 HydrophobicContact CG2-CD1 3.41Å; I928-L1037 VanDerWaalsContact CG2-CD1 3.41Å; I929-L1037 HydrophobicContact CD1-CD2 4.1Å; I929-L1037 HydrophobicContact CG1-CD2 3.75Å; M932-L1037 HydrophobicContact SD-CB 4.36Å; M932-L1037 HydrophobicContact SD-CD1 4.02Å; M932-L1037 HydrophobicContact SD-CD2 4.21Å; M932-L1037 HydrophobicContact SD-CG 4.43Å; Y948-L1037 HydrophobicContact CE2-CD2 4.05Å; Y956-L1037 HydrophobicContact CD2-CD2 4.25Å; Y956-L1037 HydrophobicContact CE2-CD1 4.41Å; Y956-L1037 HydrophobicContact CE2-CD2 3.74Å; Y956-L1037 HydrophobicContact CE2-CG 3.81Å; L1014-L1037 HydrophobicContact CD1-CB 4.46Å; L1014-L1037 HydrophobicContact CD1-CD1 3.92Å; S1033-L1037 VanDerWaalsContact O-CB 3.26Å; S1033-L1037 WeakPolarHBondContact O-CB 3.33Å; S1033-L1037 PolarHBondContact O-N 2.9Å; F1034-L1037 HydrophobicContact CD2-CD2 4.46Å; F1034-L1037 WeakPolarHBondContact O-CB 3.25Å; F1034-L1037 PolarHBondContact O-N 2.85Å; T1035-L1037 VanDerWaalsContact C-N 3.31Å; T1035-L1037 PolarHBondContact O-N 3.43Å; L1037-T1040 PolarHBondContact O-N 3.27Å; L1037-E1041 HydrophobicContact CD1-CG 4.39Å; L1037-E1041 WeakPolarHBondContact O-CG 3.38Å; L1037-E1041 PolarHBondContact O-N 2.93Å
1038	V	92.3	Very high	88.4	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.8	-47.3	-178.9	173.4	0	0	0	0	110.7	Y956 F1034 T1035 T1040 E1041 L1042 Y1067	Y956-V1038 HydrophobicContact CD2-CG2 4.35Å; F1034-V1038 HydrophobicContact CD1-CG2 4.25Å; F1034-V1038 HydrophobicContact CE1-CG2 4Å; F1034-V1038 HydrophobicContact CZ-CG2 4.35Å; F1034-V1038 WeakPolarHBondContact O-CG2 3.38Å; F1034-V1038 PolarHBondContact O-N 2.97Å; T1035-V1038 PolarHBondContact O-N 3.25Å; V1038-T1040 VanDerWaalsContact C-N 3.33Å; V1038-T1040 PolarHBondContact O-N 3.48Å; V1038-E1041 PolarHBondContact O-N 3.47Å; V1038-L1042 HydrophobicContact CG1-CD1 4.17Å; V1038-L1042 HydrophobicContact CG1-CG 4.42Å; V1038-L1042 WeakPolarHBondContact O-CG 3.45Å; V1038-L1042 PolarHBondContact O-N 3.43Å; V1038-Y1067 HydrophobicContact CG1-CD1 4.29Å; V1038-Y1067 HydrophobicContact CG1-CD2 4.33Å; V1038-Y1067 HydrophobicContact CG1-CG 4.05Å; V1038-Y1067 HydrophobicContact CG2-CD2 4.23Å; V1038-Y1067 HydrophobicContact CG2-CE2 4.25Å
1039	L	92.8	Very high	89	Confident	54 Å²	54	15.9 Å²	15.9	28%	0.283	9%	0.092	S	C	.	.	H	α-helix	trans	-63.6	-37.4	178.9	-68.3	177.8	0	0	0	112.8	T1035 L1043 L1064 V1103 T1107	T1035-L1039 HydrophobicContact CG2-CD1 3.98Å; T1035-L1039 HydrophobicContact CG2-CG 4.45Å; T1035-L1039 WeakPolarHBondContact O-CB 3.38Å; T1035-L1039 WeakPolarHBondContact O-CG 3.33Å; T1035-L1039 PolarHBondContact O-N 3.47Å; L1039-L1043 VanDerWaalsContact O-CB 3.29Å; L1039-L1043 WeakPolarHBondContact O-CB 3.27Å; L1039-L1043 PolarHBondContact O-N 3.46Å; L1039-L1064 HydrophobicContact CD2-CD1 3.89Å; L1039-V1103 HydrophobicContact CD1-CG1 4.06Å; L1039-T1107 HydrophobicContact CB-CG2 3.81Å
1040	T	93.2	Very high	89.1	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.4	-43.8	175.9	-64	0	0	0	0	111.3	L1014 A1036 L1037 V1038 L1043 M1044 S1110	L1014-T1040 HydrophobicContact CD1-CG2 4.46Å; A1036-T1040 WeakPolarHBondContact O-CB 3.41Å; A1036-T1040 PolarHBondContact O-N 3.47Å; A1036-T1040 PolarHBondContact O-OG1 3.46Å; L1037-T1040 PolarHBondContact O-N 3.27Å; V1038-T1040 VanDerWaalsContact C-N 3.33Å; V1038-T1040 PolarHBondContact O-N 3.48Å; T1040-L1043 PolarHBondContact O-N 3.15Å; T1040-M1044 WeakPolarHBondContact O-CB 3.44Å; T1040-M1044 PolarHBondContact O-N 3.49Å; T1040-S1110 WeakPolarHBondContact CG2-OG 3.48Å
1041	E	92.3	Very high	89.3	Confident	3 Å²	3	21.3 Å²	21.3	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-47.6	177.5	-73.3	-71.7	170	0	0	112	I928 Y956 T961 L1037 V1038 L1043 M1044 V1045	I928-E1041 WeakPolarHBondContact CD1-OE1 3.39Å; Y956-E1041 HydrophobicContact CE2-CG 4.42Å; Y956-E1041 PolarHBondContact OH-OE1 3.05Å; T961-E1041 HydrophobicContact CG2-CB 4.08Å; T961-E1041 HydrophobicContact CG2-CG 4.4Å; L1037-E1041 HydrophobicContact CD1-CG 4.39Å; L1037-E1041 WeakPolarHBondContact O-CG 3.38Å; L1037-E1041 PolarHBondContact O-N 2.93Å; V1038-E1041 PolarHBondContact O-N 3.47Å; E1041-L1043 PolarHBondContact O-N 3.48Å; E1041-M1044 PolarHBondContact O-N 3.16Å; E1041-V1045 WeakPolarHBondContact O-CG2 3.22Å; E1041-V1045 PolarHBondContact O-N 3.49Å
1042	L	92.2	Very high	89.7	Confident	14 Å²	14	27.8 Å²	27.8	7%	0.073	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-48.4	176.3	-65.3	-179.6	0	0	0	111.1	P964 V1038 M1044 V1045 A1046 E1060 L1064	P964-L1042 HydrophobicContact CB-CD2 4.25Å; P964-L1042 HydrophobicContact CG-CD2 3.57Å; V1038-L1042 HydrophobicContact CG1-CD1 4.17Å; V1038-L1042 HydrophobicContact CG1-CG 4.42Å; V1038-L1042 WeakPolarHBondContact O-CG 3.45Å; V1038-L1042 PolarHBondContact O-N 3.43Å; L1042-M1044 VanDerWaalsContact C-N 3.33Å; L1042-M1044 PolarHBondContact O-N 3.17Å; L1042-V1045 PolarHBondContact O-N 2.87Å; L1042-A1046 PolarHBondContact O-N 2.98Å; L1042-E1060 WeakPolarHBondContact CB-OE2 3.06Å; L1042-E1060 WeakPolarHBondContact CD2-OE2 3.46Å; L1042-L1064 HydrophobicContact CD1-CB 4.16Å; L1042-L1064 HydrophobicContact CD1-CD1 4.18Å
1043	L	91.9	Very high	89.9	Confident	66 Å²	66	31.2 Å²	31.2	35%	0.346	15%	0.153	S	C	.	.	H	α-helix	trans	-63.2	-39.4	177.7	-176.8	60.7	0	0	0	112	L1039 T1040 E1041 A1046 L1047 C1111	L1039-L1043 VanDerWaalsContact O-CB 3.29Å; L1039-L1043 WeakPolarHBondContact O-CB 3.27Å; L1039-L1043 PolarHBondContact O-N 3.46Å; T1040-L1043 PolarHBondContact O-N 3.15Å; E1041-L1043 PolarHBondContact O-N 3.48Å; L1043-A1046 PolarHBondContact O-N 2.63Å; L1043-L1047 HydrophobicContact CD1-CD1 4.31Å; L1043-L1047 HydrophobicContact CD1-CG 4.24Å; L1043-L1047 HydrophobicContact CG-CD1 4Å; L1043-L1047 HydrophobicContact CG-CG 4.36Å; L1043-L1047 WeakPolarHBondContact O-CB 3.31Å; L1043-L1047 VanDerWaalsContact O-CG 3.22Å; L1043-L1047 WeakPolarHBondContact O-CG 3.43Å; L1043-L1047 PolarHBondContact O-N 2.83Å; L1043-C1111 HydrophobicContact CD2-CB 3.9Å; L1043-C1111 HydrophobicContact CG-CB 4.42Å
1044	M	90.2	Very high	90.1	Very high	15 Å²	15	39.3 Å²	39.3	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-40.4	178.9	-174.4	59.5	176.1	0	0	111.7	F921 W1003 I1006 T1040 E1041 L1042 L1047 T1048	F921-M1044 HydrophobicContact CE1-CG 4.1Å; W1003-M1044 HydrophobicContact CH2-CE 3.9Å; W1003-M1044 HydrophobicContact CZ3-CE 3.76Å; I1006-M1044 HydrophobicContact CG2-CE 4.49Å; T1040-M1044 WeakPolarHBondContact O-CB 3.44Å; T1040-M1044 PolarHBondContact O-N 3.49Å; E1041-M1044 PolarHBondContact O-N 3.16Å; L1042-M1044 VanDerWaalsContact C-N 3.33Å; L1042-M1044 PolarHBondContact O-N 3.17Å; M1044-L1047 PolarHBondContact O-N 2.88Å; M1044-T1048 HydrophobicContact CE-CG2 4.15Å; M1044-T1048 VanDerWaalsContact O-CG2 3.28Å; M1044-T1048 WeakPolarHBondContact O-CG2 3.48Å; M1044-T1048 PolarHBondContact O-N 3.4Å; M1044-T1048 PolarHBondContact O-OG1 3.13Å; M1044-T1048 HydrophobicContact SD-CG2 4.36Å
1045	V	90	Very high	90.2	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-53.1	171.7	174.2	0	0	0	0	109.6	P964 V965 L968 E1041 L1042 L1047 T1048 V1049 E1060	P964-V1045 HydrophobicContact CB-CG1 4.09Å; V965-V1045 HydrophobicContact CG2-CG2 3.93Å; L968-V1045 HydrophobicContact CD2-CG1 4.36Å; E1041-V1045 WeakPolarHBondContact O-CG2 3.22Å; E1041-V1045 PolarHBondContact O-N 3.49Å; L1042-V1045 PolarHBondContact O-N 2.87Å; V1045-L1047 VanDerWaalsContact C-N 3.28Å; V1045-L1047 PolarHBondContact O-N 3.44Å; V1045-T1048 WeakPolarHBondContact CA-OG1 3.38Å; V1045-T1048 PolarHBondContact O-N 2.88Å; V1045-T1048 PolarHBondContact O-OG1 2.8Å; V1045-V1049 HydrophobicContact CG1-CG2 4.46Å; V1045-V1049 WeakPolarHBondContact O-CG2 3.33Å; V1045-V1049 PolarHBondContact O-N 3.34Å; V1045-V1049 VanDerWaalsContact O-N 3.14Å; V1045-E1060 WeakPolarHBondContact CB-OE1 3.1Å; V1045-E1060 WeakPolarHBondContact CG1-OE1 3.47Å
1046	A	89.9	Confident	90.3	Very high	28 Å²	28	42.2 Å²	42.2	23%	0.231	20%	0.198	C	C	.	.	H	α-helix	trans	-54.5	-38.5	178	0	0	0	0	0	113.9	L1042 L1043 T1048 W1052	L1042-A1046 PolarHBondContact O-N 2.98Å; L1043-A1046 PolarHBondContact O-N 2.63Å; A1046-T1048 VanDerWaalsContact C-N 3.26Å; A1046-T1048 PolarHBondContact O-N 2.66Å; A1046-W1052 HydrophobicContact CB-CH2 3.88Å; A1046-W1052 HydrophobicContact CB-CZ2 4.17Å
1047	L	87.4	Confident	90.4	Very high	52 Å²	52	44.9 Å²	44.9	27%	0.272	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-9.6	177.8	-67.8	174.5	0	0	0	114.1	L1043 M1044 V1045 C1111 Y1115 K1118	L1043-L1047 HydrophobicContact CD1-CD1 4.31Å; L1043-L1047 HydrophobicContact CD1-CG 4.24Å; L1043-L1047 HydrophobicContact CG-CD1 4Å; L1043-L1047 HydrophobicContact CG-CG 4.36Å; L1043-L1047 WeakPolarHBondContact O-CB 3.31Å; L1043-L1047 VanDerWaalsContact O-CG 3.22Å; L1043-L1047 WeakPolarHBondContact O-CG 3.43Å; L1043-L1047 PolarHBondContact O-N 2.83Å; M1044-L1047 PolarHBondContact O-N 2.88Å; V1045-L1047 VanDerWaalsContact C-N 3.28Å; V1045-L1047 PolarHBondContact O-N 3.44Å; L1047-C1111 HydrophobicContact CD1-CB 4.16Å; L1047-Y1115 HydrophobicContact CB-CD2 4.4Å; L1047-Y1115 HydrophobicContact CD1-CD2 4.47Å; L1047-Y1115 HydrophobicContact CD2-CD2 3.8Å; L1047-Y1115 HydrophobicContact CD2-CE2 4.02Å; L1047-Y1115 HydrophobicContact CD2-CG 4.47Å; L1047-Y1115 HydrophobicContact CG-CD2 4.46Å; L1047-K1118 PolarHBondContact O-NZ 3.5Å
1048	T	84.9	Confident	90.4	Very high	20 Å²	20	49.4 Å²	49.4	12%	0.123	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-25.6	-177.5	55.6	0	0	0	0	115.4	F921 M1044 V1045 A1046 R1050	F921-T1048 HydrophobicContact CE1-CG2 4.45Å; F921-T1048 HydrophobicContact CE2-CG2 4.27Å; F921-T1048 HydrophobicContact CZ-CG2 3.51Å; F921-T1048 WeakPolarHBondContact CZ-OG1 3.43Å; M1044-T1048 HydrophobicContact CE-CG2 4.15Å; M1044-T1048 VanDerWaalsContact O-CG2 3.28Å; M1044-T1048 WeakPolarHBondContact O-CG2 3.48Å; M1044-T1048 PolarHBondContact O-N 3.4Å; M1044-T1048 PolarHBondContact O-OG1 3.13Å; M1044-T1048 HydrophobicContact SD-CG2 4.36Å; V1045-T1048 WeakPolarHBondContact CA-OG1 3.38Å; V1045-T1048 PolarHBondContact O-N 2.88Å; V1045-T1048 PolarHBondContact O-OG1 2.8Å; A1046-T1048 VanDerWaalsContact C-N 3.26Å; A1046-T1048 PolarHBondContact O-N 2.66Å; T1048-R1050 PolarHBondContact O-N 2.93Å
1049	V	87.4	Confident	90.5	Very high	16 Å²	16	50.1 Å²	50.1	10%	0.097	24%	0.244	C	C	.	.			trans	-51	134.5	167.4	177.4	0	0	0	0	110.4	L968 V1045 T1051 W1052 M1056	L968-V1049 HydrophobicContact CD2-CG2 4.17Å; V1045-V1049 HydrophobicContact CG1-CG2 4.46Å; V1045-V1049 WeakPolarHBondContact O-CG2 3.33Å; V1045-V1049 PolarHBondContact O-N 3.34Å; V1045-V1049 VanDerWaalsContact O-N 3.14Å; V1049-T1051 WeakPolarHBondContact CG1-O 3.38Å; V1049-W1052 HydrophobicContact CB-CZ2 4.48Å; V1049-W1052 HydrophobicContact CG1-CD2 4.09Å; V1049-W1052 HydrophobicContact CG1-CE3 4.49Å; V1049-W1052 HydrophobicContact CG1-CG 4.26Å; V1049-M1056 HydrophobicContact CB-CE 4.09Å; V1049-M1056 HydrophobicContact CG1-CE 3.58Å; V1049-M1056 HydrophobicContact CG1-SD 4.14Å; V1049-M1056 HydrophobicContact CG2-CE 3.33Å
1050	R	84.4	Confident	90.5	Very high	104 Å²	104	48.7 Å²	48.7	39%	0.392	24%	0.236	S	C	.	.	S	Bend	trans	-97.7	-46.3	174.6	-63.9	-176.8	-176.7	88	-4.6	110.8	D971 T1048 Y1129	D971-R1050 PolarHBondContact OD1-N 3.22Å; D971-R1050 IonicContact OD2-NH1 3.84Å; D971-R1050 PolarHBondContact OD2-NH1 3.42Å; T1048-R1050 PolarHBondContact O-N 2.93Å; R1050-Y1129 PolarHBondContact NE-OH 2.76Å
1051	T	86.9	Confident	90.6	Very high	60 Å²	60	55.6 Å²	55.6	37%	0.368	27%	0.266	S	S	.	.	S	Bend	trans	-118.8	119.2	-179.2	54.6	0	0	0	0	109.5	D971 Q972 V1049 H1053	D971-T1051 PolarHBondContact OD1-N 3.04Å; D971-T1051 VanDerWaalsContact OD1-N 3.16Å; D971-T1051 PolarHBondContact OD1-OG1 2.89Å; Q972-T1051 HydrophobicContact CB-CG2 4.41Å; Q972-T1051 PolarHBondContact N-OG1 3.35Å; Q972-T1051 WeakPolarHBondContact O-CG2 3.1Å; Q972-T1051 PolarHBondContact O-OG1 3.21Å; V1049-T1051 WeakPolarHBondContact CG1-O 3.38Å; T1051-H1053 PolarHBondContact O-N 3.13Å
1052	W	89.5	Confident	90.7	Very high	140 Å²	140	60.6 Å²	60.6	53%	0.53	29%	0.288	S	S	.	.			trans	-78.1	120.7	179.2	-75	94.1	0	0	0	111.2	A1046 V1049 M1056 V1057	A1046-W1052 HydrophobicContact CB-CH2 3.88Å; A1046-W1052 HydrophobicContact CB-CZ2 4.17Å; V1049-W1052 HydrophobicContact CB-CZ2 4.48Å; V1049-W1052 HydrophobicContact CG1-CD2 4.09Å; V1049-W1052 HydrophobicContact CG1-CE3 4.49Å; V1049-W1052 HydrophobicContact CG1-CG 4.26Å; W1052-M1056 HydrophobicContact CE3-CB 4.46Å; W1052-V1057 HydrophobicContact CD2-CG2 4.49Å; W1052-V1057 HydrophobicContact CE3-CG2 3.5Å; W1052-V1057 HydrophobicContact CZ3-CG2 3.87Å
1053	H	89.9	Confident	90.7	Very high	74 Å²	74	59.9 Å²	59.9	34%	0.343	28%	0.284	S	S	.	.			trans	-104.6	146.5	166.5	-173.8	-86.2	0	0	0	109.6	L970 T1051 L1055 M1056 V1057	L970-H1053 HydrophobicContact CB-CB 4.49Å; T1051-H1053 PolarHBondContact O-N 3.13Å; H1053-L1055 VanDerWaalsContact C-N 3.26Å; H1053-L1055 WeakPolarHBondContact ND1-CB 3.2Å; H1053-L1055 PolarHBondContact ND1-N 2.64Å; H1053-L1055 PolarHBondContact O-N 3.38Å; H1053-M1056 HydrophobicContact CB-CG 4.04Å; H1053-M1056 HydrophobicContact CB-SD 3.94Å; H1053-M1056 VanDerWaalsContact O-CB 3.32Å; H1053-M1056 WeakPolarHBondContact O-CB 3.29Å; H1053-M1056 PolarHBondContact O-N 3.03Å; H1053-V1057 PolarHBondContact O-N 3.24Å
1054	W	91.9	Very high	90.7	Very high	169 Å²	169	59.3 Å²	59.3	64%	0.64	28%	0.281	S	S	*	.	H	α-helix	trans	-57.7	-37	-174.9	70.6	-92.1	0	0	0	113.3	M1056 V1057 L1058	W1054-M1056 VanDerWaalsContact C-N 3.25Å; W1054-M1056 PolarHBondContact O-N 3.47Å; W1054-V1057 PolarHBondContact O-N 3.11Å; W1054-L1058 HydrophobicContact CZ3-CD2 3.98Å; W1054-L1058 PolarHBondContact O-N 3.03Å
1055	L	91.8	Very high	90.7	Very high	69 Å²	69	60.3 Å²	60.3	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-60.7	-30.9	174	-71.7	170.1	0	0	0	113.4	L970 H1053 A1059	L970-L1055 HydrophobicContact CD1-CB 3.71Å; L970-L1055 HydrophobicContact CD1-CD1 3.87Å; L970-L1055 HydrophobicContact CD1-CG 4.44Å; H1053-L1055 VanDerWaalsContact C-N 3.26Å; H1053-L1055 WeakPolarHBondContact ND1-CB 3.2Å; H1053-L1055 PolarHBondContact ND1-N 2.64Å; H1053-L1055 PolarHBondContact O-N 3.38Å; L1055-A1059 VanDerWaalsContact O-CB 3.29Å; L1055-A1059 WeakPolarHBondContact O-CB 3.29Å; L1055-A1059 PolarHBondContact O-N 3.41Å
1056	M	92.8	Very high	90.7	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-71.8	-42.5	179.4	-56.2	174.6	76	0	0	110.4	L968 L970 V1049 W1052 H1053 W1054 L1058 A1059 E1060	L968-M1056 HydrophobicContact CD2-CE 4.45Å; L970-M1056 HydrophobicContact CB-CG 4.39Å; L970-M1056 HydrophobicContact CB-SD 4.29Å; L970-M1056 HydrophobicContact CD1-CG 4.27Å; V1049-M1056 HydrophobicContact CB-CE 4.09Å; V1049-M1056 HydrophobicContact CG1-CE 3.58Å; V1049-M1056 HydrophobicContact CG1-SD 4.14Å; V1049-M1056 HydrophobicContact CG2-CE 3.33Å; W1052-M1056 HydrophobicContact CE3-CB 4.46Å; H1053-M1056 HydrophobicContact CB-CG 4.04Å; H1053-M1056 HydrophobicContact CB-SD 3.94Å; H1053-M1056 VanDerWaalsContact O-CB 3.32Å; H1053-M1056 WeakPolarHBondContact O-CB 3.29Å; H1053-M1056 PolarHBondContact O-N 3.03Å; W1054-M1056 VanDerWaalsContact C-N 3.25Å; W1054-M1056 PolarHBondContact O-N 3.47Å; M1056-L1058 VanDerWaalsContact C-N 3.34Å; M1056-A1059 PolarHBondContact O-N 3.42Å; M1056-E1060 WeakPolarHBondContact O-CG 3.22Å; M1056-E1060 PolarHBondContact O-N 2.88Å
1057	V	93.1	Very high	90.6	Very high	55 Å²	55	60.6 Å²	60.6	33%	0.333	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-46	173.9	-178.5	0	0	0	0	110.3	W1052 H1053 W1054 A1059 E1060 F1061	W1052-V1057 HydrophobicContact CD2-CG2 4.49Å; W1052-V1057 HydrophobicContact CE3-CG2 3.5Å; W1052-V1057 HydrophobicContact CZ3-CG2 3.87Å; H1053-V1057 PolarHBondContact O-N 3.24Å; W1054-V1057 PolarHBondContact O-N 3.11Å; V1057-A1059 VanDerWaalsContact C-N 3.32Å; V1057-A1059 PolarHBondContact O-N 2.86Å; V1057-E1060 PolarHBondContact O-N 2.91Å; V1057-F1061 HydrophobicContact CG1-CD2 3.74Å; V1057-F1061 HydrophobicContact CG1-CE2 3.53Å; V1057-F1061 VanDerWaalsContact O-CD2 3.22Å; V1057-F1061 WeakPolarHBondContact O-CD2 3.11Å; V1057-F1061 PolarHBondContact O-N 2.97Å; V1057-F1061 VanDerWaalsContact O-N 3.16Å
1058	L	94.5	Very high	90.6	Very high	96 Å²	96	63 Å²	63	50%	0.503	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-41.3	176.2	-178.4	62.6	0	0	0	111.9	W1054 M1056 F1061 F1062	W1054-L1058 HydrophobicContact CZ3-CD2 3.98Å; W1054-L1058 PolarHBondContact O-N 3.03Å; M1056-L1058 VanDerWaalsContact C-N 3.34Å; L1058-F1061 PolarHBondContact O-N 3.24Å; L1058-F1062 WeakPolarHBondContact O-CB 3.48Å; L1058-F1062 PolarHBondContact O-N 3.23Å
1059	A	93.6	Very high	90.5	Very high	14 Å²	14	64.1 Å²	64.1	12%	0.116	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-40.6	179.1	0	0	0	0	0	112.8	F963 L1055 M1056 V1057 S1063	F963-A1059 HydrophobicContact CB-CB 4.01Å; L1055-A1059 VanDerWaalsContact O-CB 3.29Å; L1055-A1059 WeakPolarHBondContact O-CB 3.29Å; L1055-A1059 PolarHBondContact O-N 3.41Å; M1056-A1059 PolarHBondContact O-N 3.42Å; V1057-A1059 VanDerWaalsContact C-N 3.32Å; V1057-A1059 PolarHBondContact O-N 2.86Å; A1059-S1063 WeakPolarHBondContact O-CB 3.28Å; A1059-S1063 PolarHBondContact O-N 3.3Å; A1059-S1063 PolarHBondContact O-OG 2.89Å
1060	E	92.9	Very high	90.3	Very high	25 Å²	25	63.9 Å²	63.9	12%	0.117	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-55.7	173.9	-74.6	-75.2	176.2	0	0	111.2	P964 L1042 V1045 M1056 V1057 F1062 S1063 L1064	P964-E1060 HydrophobicContact CB-CG 4.4Å; L1042-E1060 WeakPolarHBondContact CB-OE2 3.06Å; L1042-E1060 WeakPolarHBondContact CD2-OE2 3.46Å; V1045-E1060 WeakPolarHBondContact CB-OE1 3.1Å; V1045-E1060 WeakPolarHBondContact CG1-OE1 3.47Å; M1056-E1060 WeakPolarHBondContact O-CG 3.22Å; M1056-E1060 PolarHBondContact O-N 2.88Å; V1057-E1060 PolarHBondContact O-N 2.91Å; E1060-F1062 PolarHBondContact O-N 3Å; E1060-S1063 PolarHBondContact O-N 3.05Å; E1060-L1064 PolarHBondContact O-N 3.48Å
1061	F	94.1	Very high	89.9	Confident	144 Å²	144	59.7 Å²	59.7	63%	0.632	30%	0.303	S	S	*	.	H	α-helix	trans	-64.8	-38.2	-179.3	-74.9	-64.4	0	0	0	113	V1057 L1058 S1063 L1064 G1065	V1057-F1061 HydrophobicContact CG1-CD2 3.74Å; V1057-F1061 HydrophobicContact CG1-CE2 3.53Å; V1057-F1061 VanDerWaalsContact O-CD2 3.22Å; V1057-F1061 WeakPolarHBondContact O-CD2 3.11Å; V1057-F1061 PolarHBondContact O-N 2.97Å; V1057-F1061 VanDerWaalsContact O-N 3.16Å; L1058-F1061 PolarHBondContact O-N 3.24Å; F1061-S1063 VanDerWaalsContact C-N 3.34Å; F1061-L1064 PolarHBondContact O-N 3.44Å; F1061-G1065 PolarHBondContact O-N 3.26Å
1062	F	94.3	Very high	89.1	Confident	108 Å²	108	59.1 Å²	59.1	47%	0.474	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-43	176.6	-177.9	-103.2	0	0	0	111.3	F963 L1058 E1060 G1065 C1066	F963-F1062 AromaticContact CD2-CD1 3.86Å; F963-F1062 HydrophobicContact CD2-CD1 3.86Å; F963-F1062 AromaticContact CD2-CE1 3.95Å; F963-F1062 HydrophobicContact CD2-CE1 3.95Å; F963-F1062 AromaticContact CE2-CD1 3.98Å; F963-F1062 HydrophobicContact CE2-CD1 3.98Å; F963-F1062 AromaticContact CE2-CE1 3.57Å; F963-F1062 HydrophobicContact CE2-CE1 3.57Å; F963-F1062 HydrophobicContact CG-CD1 4.29Å; F963-F1062 HydrophobicContact CZ-CD1 4.49Å; F963-F1062 AromaticContact CZ-CE1 3.91Å; F963-F1062 HydrophobicContact CZ-CE1 3.91Å; L1058-F1062 WeakPolarHBondContact O-CB 3.48Å; L1058-F1062 PolarHBondContact O-N 3.23Å; E1060-F1062 PolarHBondContact O-N 3Å; F1062-G1065 PolarHBondContact O-N 2.98Å; F1062-C1066 VanDerWaalsContact CE1-SG 3.57Å; F1062-C1066 PolarHBondContact O-N 3.37Å; F1062-C1066 PolarHBondContact O-SG 3.38Å; F1062-C1066 VanDerWaalsContact O-SG 3.37Å
1063	S	93.4	Very high	88.3	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-67.2	-41.1	179.2	-58.6	0	0	0	0	112.2	Y960 P964 A1059 E1060 F1061 G1065 C1066 Y1067	Y960-S1063 WeakPolarHBondContact O-CB 3.34Å; P964-S1063 WeakPolarHBondContact CD-OG 3.35Å; P964-S1063 VanDerWaalsContact CG-OG 3.25Å; P964-S1063 WeakPolarHBondContact CG-OG 3.48Å; A1059-S1063 WeakPolarHBondContact O-CB 3.28Å; A1059-S1063 PolarHBondContact O-N 3.3Å; A1059-S1063 PolarHBondContact O-OG 2.89Å; E1060-S1063 PolarHBondContact O-N 3.05Å; F1061-S1063 VanDerWaalsContact C-N 3.34Å; S1063-G1065 VanDerWaalsContact C-N 3.34Å; S1063-C1066 PolarHBondContact O-N 3.2Å; S1063-Y1067 WeakPolarHBondContact O-CB 3.48Å; S1063-Y1067 PolarHBondContact O-N 3.34Å
1064	L	91.4	Very high	87.5	Confident	54 Å²	54	59.5 Å²	59.5	28%	0.283	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-44.7	171.6	-176.4	63.5	0	0	0	111	L1039 L1042 E1060 F1061 Y1067 L1068	L1039-L1064 HydrophobicContact CD2-CD1 3.89Å; L1042-L1064 HydrophobicContact CD1-CB 4.16Å; L1042-L1064 HydrophobicContact CD1-CD1 4.18Å; E1060-L1064 PolarHBondContact O-N 3.48Å; F1061-L1064 PolarHBondContact O-N 3.44Å; L1064-Y1067 PolarHBondContact O-N 3.19Å; L1064-L1068 HydrophobicContact CG-CD1 4.24Å; L1064-L1068 WeakPolarHBondContact O-CG 3.48Å; L1064-L1068 PolarHBondContact O-N 3.49Å
1065	G	90.3	Very high	86.3	Confident	36 Å²	36	54.2 Å²	54.2	37%	0.371	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-45.1	176	0	0	0	0	0	113.1	F1061 F1062 S1063 Y1067 L1068 A1069	F1061-G1065 PolarHBondContact O-N 3.26Å; F1062-G1065 PolarHBondContact O-N 2.98Å; S1063-G1065 VanDerWaalsContact C-N 3.34Å; G1065-Y1067 VanDerWaalsContact C-N 3.3Å; G1065-Y1067 PolarHBondContact O-N 3.22Å; G1065-L1068 PolarHBondContact O-N 2.84Å; G1065-A1069 WeakPolarHBondContact O-CB 3.29Å; G1065-A1069 PolarHBondContact O-N 3.32Å
1066	C	90.1	Very high	84.9	Confident	33 Å²	33	56.4 Å²	56.4	22%	0.223	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-38.8	174.8	-72.3	0	0	0	0	112.2	I959 F1062 S1063 S1070	I959-C1066 HydrophobicContact CG2-CB 3.87Å; F1062-C1066 VanDerWaalsContact CE1-SG 3.57Å; F1062-C1066 PolarHBondContact O-N 3.37Å; F1062-C1066 PolarHBondContact O-SG 3.38Å; F1062-C1066 VanDerWaalsContact O-SG 3.37Å; S1063-C1066 PolarHBondContact O-N 3.2Å; C1066-S1070 WeakPolarHBondContact O-CB 3.26Å; C1066-S1070 PolarHBondContact O-N 2.6Å
1067	Y	88.7	Confident	83.5	Confident	3 Å²	3	60 Å²	60	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-48.6	175.8	175.1	-110.7	0	0	0	111.7	Y960 F1034 T1035 V1038 S1063 L1064 G1065 A1069 S1070 L1071 F1078	Y960-Y1067 HydrophobicContact CD1-CD2 4.4Å; Y960-Y1067 HydrophobicContact CD2-CD2 4.43Å; Y960-Y1067 HydrophobicContact CG-CD2 4.37Å; F1034-Y1067 AromaticContact CD1-CE2 3.85Å; F1034-Y1067 HydrophobicContact CD1-CE2 3.85Å; F1034-Y1067 HydrophobicContact CE1-CD2 4.39Å; F1034-Y1067 AromaticContact CE1-CE2 3.87Å; F1034-Y1067 HydrophobicContact CE1-CE2 3.87Å; T1035-Y1067 WeakPolarHBondContact CA-OH 3.43Å; T1035-Y1067 VanDerWaalsContact CB-OH 3.29Å; T1035-Y1067 WeakPolarHBondContact CB-OH 3.49Å; T1035-Y1067 HydrophobicContact CG2-CE1 4.08Å; T1035-Y1067 PolarHBondContact OG1-OH 3.47Å; V1038-Y1067 HydrophobicContact CG1-CD1 4.29Å; V1038-Y1067 HydrophobicContact CG1-CD2 4.33Å; V1038-Y1067 HydrophobicContact CG1-CG 4.05Å; V1038-Y1067 HydrophobicContact CG2-CD2 4.23Å; V1038-Y1067 HydrophobicContact CG2-CE2 4.25Å; S1063-Y1067 WeakPolarHBondContact O-CB 3.48Å; S1063-Y1067 PolarHBondContact O-N 3.34Å; L1064-Y1067 PolarHBondContact O-N 3.19Å; G1065-Y1067 VanDerWaalsContact C-N 3.3Å; G1065-Y1067 PolarHBondContact O-N 3.22Å; Y1067-A1069 VanDerWaalsContact C-N 3.31Å; Y1067-A1069 PolarHBondContact O-N 3.19Å; Y1067-S1070 WeakPolarHBondContact O-CB 3.45Å; Y1067-S1070 PolarHBondContact O-N 2.82Å; Y1067-S1070 PolarHBondContact O-OG 3.45Å; Y1067-L1071 HydrophobicContact CD1-CD1 4.44Å; Y1067-L1071 HydrophobicContact CE1-CD1 3.79Å; Y1067-L1071 HydrophobicContact CE1-CG 4.33Å; Y1067-L1071 HydrophobicContact CE2-CD2 4.36Å; Y1067-L1071 HydrophobicContact CE2-CG 4.36Å; Y1067-L1071 PolarHBondContact O-N 3.26Å; Y1067-L1071 VanDerWaalsContact O-N 3.13Å; Y1067-F1078 HydrophobicContact CE2-CZ 4.49Å
1068	L	85.6	Confident	81.9	Confident	101 Å²	101	57.7 Å²	57.7	53%	0.529	30%	0.303	S	S	.	.	H	α-helix	trans	-59.6	-40.7	176.4	-69	174.3	0	0	0	112.2	L1064 G1065 S1070 L1071	L1064-L1068 HydrophobicContact CG-CD1 4.24Å; L1064-L1068 WeakPolarHBondContact O-CG 3.48Å; L1064-L1068 PolarHBondContact O-N 3.49Å; G1065-L1068 PolarHBondContact O-N 2.84Å; L1068-S1070 VanDerWaalsContact C-N 3.32Å; L1068-S1070 PolarHBondContact O-N 3.21Å; L1068-L1071 HydrophobicContact CD2-CD1 4.38Å; L1068-L1071 WeakPolarHBondContact O-CB 3.48Å; L1068-L1071 PolarHBondContact O-N 3.41Å
1069	A	83.8	Confident	79.9	Confident	45 Å²	45	55.4 Å²	55.4	37%	0.372	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-41.6	173.5	0	0	0	0	0	111.5	G1065 Y1067 L1071 A1072 F1073	G1065-A1069 WeakPolarHBondContact O-CB 3.29Å; G1065-A1069 PolarHBondContact O-N 3.32Å; Y1067-A1069 VanDerWaalsContact C-N 3.31Å; Y1067-A1069 PolarHBondContact O-N 3.19Å; A1069-L1071 VanDerWaalsContact C-N 3.26Å; A1069-L1071 PolarHBondContact O-N 2.96Å; A1069-A1072 WeakPolarHBondContact O-CB 3.44Å; A1069-A1072 PolarHBondContact O-N 3.06Å; A1069-F1073 WeakPolarHBondContact O-CD2 3.4Å; A1069-F1073 PolarHBondContact O-N 3.12Å
1070	S	82.6	Confident	78	Confident	10 Å²	10	57 Å²	57	7%	0.07	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-29.9	179.3	77.5	0	0	0	0	113.9	Y960 C1066 Y1067 L1068 A1072 F1073 L1074	Y960-S1070 WeakPolarHBondContact OH-CB 3.02Å; Y960-S1070 PolarHBondContact OH-OG 2.92Å; Y960-S1070 VanDerWaalsContact OH-OG 3.13Å; C1066-S1070 WeakPolarHBondContact O-CB 3.26Å; C1066-S1070 PolarHBondContact O-N 2.6Å; Y1067-S1070 WeakPolarHBondContact O-CB 3.45Å; Y1067-S1070 PolarHBondContact O-N 2.82Å; Y1067-S1070 PolarHBondContact O-OG 3.45Å; L1068-S1070 VanDerWaalsContact C-N 3.32Å; L1068-S1070 PolarHBondContact O-N 3.21Å; S1070-A1072 PolarHBondContact O-N 3.45Å; S1070-F1073 PolarHBondContact O-N 3.41Å; S1070-L1074 WeakPolarHBondContact O-CB 3.38Å; S1070-L1074 PolarHBondContact O-N 2.9Å
1071	L	75.6	Confident	75.6	Confident	17 Å²	17	59 Å²	59	9%	0.089	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-23.8	172.4	-69.2	174.4	0	0	0	112.8	Y1067 L1068 A1069 N1075 F1078 I1094	Y1067-L1071 HydrophobicContact CD1-CD1 4.44Å; Y1067-L1071 HydrophobicContact CE1-CD1 3.79Å; Y1067-L1071 HydrophobicContact CE1-CG 4.33Å; Y1067-L1071 HydrophobicContact CE2-CD2 4.36Å; Y1067-L1071 HydrophobicContact CE2-CG 4.36Å; Y1067-L1071 PolarHBondContact O-N 3.26Å; Y1067-L1071 VanDerWaalsContact O-N 3.13Å; L1068-L1071 HydrophobicContact CD2-CD1 4.38Å; L1068-L1071 WeakPolarHBondContact O-CB 3.48Å; L1068-L1071 PolarHBondContact O-N 3.41Å; A1069-L1071 VanDerWaalsContact C-N 3.26Å; A1069-L1071 PolarHBondContact O-N 2.96Å; L1071-N1075 PolarHBondContact O-OD1 3.26Å; L1071-F1078 HydrophobicContact CD2-CD1 4.17Å; L1071-F1078 HydrophobicContact CD2-CD2 4.22Å; L1071-F1078 HydrophobicContact CD2-CE1 3.75Å; L1071-F1078 HydrophobicContact CD2-CE2 3.82Å; L1071-F1078 HydrophobicContact CD2-CG 4.39Å; L1071-F1078 HydrophobicContact CD2-CZ 3.58Å; L1071-I1094 HydrophobicContact CD2-CD1 4.14Å
1072	A	71.4	Confident	73.2	Confident	48 Å²	48	62 Å²	62	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-87.8	-31.3	176.6	0	0	0	0	0	113.2	A1069 S1070 N1075	A1069-A1072 WeakPolarHBondContact O-CB 3.44Å; A1069-A1072 PolarHBondContact O-N 3.06Å; S1070-A1072 PolarHBondContact O-N 3.45Å; A1072-N1075 PolarHBondContact O-ND2 2.88Å; A1072-N1075 PolarHBondContact O-OD1 3.21Å
1073	F	73.4	Confident	70.6	Confident	179 Å²	179	62.6 Å²	62.6	79%	0.785	36%	0.355	S	S	*	.	H	α-helix	trans	-99.8	-24.8	-173.3	-69.4	-71	0	0	0	114.8	A1069 S1070	A1069-F1073 WeakPolarHBondContact O-CD2 3.4Å; A1069-F1073 PolarHBondContact O-N 3.12Å; S1070-F1073 PolarHBondContact O-N 3.41Å
1074	L	71.8	Confident	67.9	Low	42 Å²	42	67.7 Å²	67.7	22%	0.22	39%	0.391	C	S	.	.			trans	-105.9	38	-175.7	-65.6	175.1	0	0	0	113.4	F951 S1070 E1076 Y1077 F1078	F951-L1074 HydrophobicContact CB-CD1 4.16Å; F951-L1074 HydrophobicContact CB-CD2 4.47Å; S1070-L1074 WeakPolarHBondContact O-CB 3.38Å; S1070-L1074 PolarHBondContact O-N 2.9Å; L1074-E1076 VanDerWaalsContact C-N 3.28Å; L1074-E1076 PolarHBondContact O-N 3.39Å; L1074-Y1077 HydrophobicContact CD2-CD2 4.41Å; L1074-Y1077 PolarHBondContact O-N 2.62Å; L1074-F1078 HydrophobicContact CB-CD2 4.47Å; L1074-F1078 HydrophobicContact CB-CE2 4.26Å; L1074-F1078 WeakPolarHBondContact O-CD2 3.49Å
1075	N	66.2	Low	65.1	Low	59 Å²	59	76 Å²	76	32%	0.316	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-55.7	-38.7	-172.8	-59.7	-15.2	0	0	0	113.4	L1071 A1072 Y1077 F1078 I1080	L1071-N1075 PolarHBondContact O-OD1 3.26Å; A1072-N1075 PolarHBondContact O-ND2 2.88Å; A1072-N1075 PolarHBondContact O-OD1 3.21Å; N1075-Y1077 PolarHBondContact O-N 3.03Å; N1075-F1078 PolarHBondContact O-N 3.25Å; N1075-I1080 HydrophobicContact CB-CB 4.41Å; N1075-I1080 HydrophobicContact CB-CD1 4.06Å; N1075-I1080 WeakPolarHBondContact O-CB 3.17Å; N1075-I1080 PolarHBondContact O-N 3.21Å
1076	E	64	Low	62.6	Low	115 Å²	115	77.4 Å²	77.4	54%	0.537	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-61	-28	179	-68.4	-171.5	162.7	0	0	113.4	L1074 R1082	L1074-E1076 VanDerWaalsContact C-N 3.28Å; L1074-E1076 PolarHBondContact O-N 3.39Å; E1076-R1082 IonicContact OE1-CZ 3.2Å; E1076-R1082 IonicContact OE1-NE 2.83Å; E1076-R1082 PolarHBondContact OE1-NE 3.26Å; E1076-R1082 IonicContact OE1-NH2 2.76Å; E1076-R1082 PolarHBondContact OE1-NH2 3.24Å; E1076-R1082 IonicContact OE2-NH2 3.96Å
1077	Y	63.4	Low	60.2	Low	75 Å²	75	79.5 Å²	79.5	29%	0.294	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-89.1	-19	-176.2	-79.2	-90.5	0	0	0	114	F951 L952 L1074 N1075 G1079	F951-Y1077 HydrophobicContact CD2-CD2 4.43Å; F951-Y1077 HydrophobicContact CD2-CE1 4.25Å; F951-Y1077 AromaticContact CD2-CE2 3.66Å; F951-Y1077 HydrophobicContact CD2-CE2 3.66Å; F951-Y1077 AromaticContact CD2-CZ 3.55Å; F951-Y1077 WeakPolarHBondContact CD2-OH 3.49Å; F951-Y1077 HydrophobicContact CE2-CE2 4.32Å; L952-Y1077 HydrophobicContact CD1-CD1 4.26Å; L952-Y1077 HydrophobicContact CD1-CG 4.29Å; L1074-Y1077 HydrophobicContact CD2-CD2 4.41Å; L1074-Y1077 PolarHBondContact O-N 2.62Å; N1075-Y1077 PolarHBondContact O-N 3.03Å; Y1077-G1079 VanDerWaalsContact C-N 3.26Å; Y1077-G1079 PolarHBondContact O-N 2.98Å
1078	F	58.8	Low	57.9	Low	7 Å²	7	88.4 Å²	88.4	3%	0.031	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-87.1	8	175.9	-74.4	-79.9	0	0	0	113.2	L952 A1031 F1034 Y1067 L1071 L1074 N1075	L952-F1078 HydrophobicContact CD2-CD1 4.12Å; L952-F1078 HydrophobicContact CD2-CE1 3.57Å; L952-F1078 HydrophobicContact CD2-CZ 3.86Å; L952-F1078 HydrophobicContact CG-CE1 4.42Å; L952-F1078 HydrophobicContact CG-CZ 4.25Å; A1031-F1078 HydrophobicContact CB-CD1 3.96Å; F1034-F1078 HydrophobicContact CD1-CE1 4.04Å; F1034-F1078 HydrophobicContact CD1-CZ 4.33Å; Y1067-F1078 HydrophobicContact CE2-CZ 4.49Å; L1071-F1078 HydrophobicContact CD2-CD1 4.17Å; L1071-F1078 HydrophobicContact CD2-CD2 4.22Å; L1071-F1078 HydrophobicContact CD2-CE1 3.75Å; L1071-F1078 HydrophobicContact CD2-CE2 3.82Å; L1071-F1078 HydrophobicContact CD2-CG 4.39Å; L1071-F1078 HydrophobicContact CD2-CZ 3.58Å; L1074-F1078 HydrophobicContact CB-CD2 4.47Å; L1074-F1078 HydrophobicContact CB-CE2 4.26Å; L1074-F1078 WeakPolarHBondContact O-CD2 3.49Å; N1075-F1078 PolarHBondContact O-N 3.25Å
1079	G	53.3	Low	55.8	Low	48 Å²	48	87.8 Å²	87.8	50%	0.495	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	16.7	178.7	0	0	0	0	0	114.7	Y1077 G1081	Y1077-G1079 VanDerWaalsContact C-N 3.26Å; Y1077-G1079 PolarHBondContact O-N 2.98Å; G1079-G1081 PolarHBondContact O-N 3.14Å
1080	I	52.7	Low	54.2	Low	49 Å²	49	89.5 Å²	89.5	25%	0.251	50%	0.498	S	S	.	.			trans	-90.5	93.8	179	-52.6	166.8	0	0	0	107.9	N1075 D1090	N1075-I1080 HydrophobicContact CB-CB 4.41Å; N1075-I1080 HydrophobicContact CB-CD1 4.06Å; N1075-I1080 WeakPolarHBondContact O-CB 3.17Å; N1075-I1080 PolarHBondContact O-N 3.21Å; I1080-D1090 HydrophobicContact CD1-CB 4.11Å; I1080-D1090 HydrophobicContact CG1-CB 4.36Å; I1080-D1090 HydrophobicContact CG2-CB 4.37Å
1081	G	42.3	Very low	52.9	Low	65 Å²	65	92.6 Å²	92.6	67%	0.67	51%	0.514	S	S	*	.			trans	-67.9	143.5	-179.1	0	0	0	0	0	113.4	G1079 V1083	G1079-G1081 PolarHBondContact O-N 3.14Å; G1081-V1083 PolarHBondContact O-N 3.47Å
1082	R	45.1	Very low	52	Low	208 Å²	208	95.6 Å²	95.6	79%	0.785	54%	0.536	S	S	*	.			trans	-56.6	111.3	179.5	-70.6	-179.1	174.4	170.4	-1.8	113	E1076	E1076-R1082 IonicContact OE1-CZ 3.2Å; E1076-R1082 IonicContact OE1-NE 2.83Å; E1076-R1082 PolarHBondContact OE1-NE 3.26Å; E1076-R1082 IonicContact OE1-NH2 2.76Å; E1076-R1082 PolarHBondContact OE1-NH2 3.24Å; E1076-R1082 IonicContact OE2-NH2 3.96Å
1083	V	37.8	Very low	51.7	Low	120 Å²	120	94.8 Å²	94.8	73%	0.727	52%	0.524	S	S	*	.			trans	-133.7	99.6	154.9	-176	0	0	0	0	109.1	G1081	G1081-V1083 PolarHBondContact O-N 3.47Å
1084	S	36.7	Very low	51.4	Low	108 Å²	108	87.6 Å²	87.6	76%	0.755	49%	0.493	S	S	*	.			trans	56.1	144.1	164	-146.9	0	0	0	0	118.8	G1086 A1087	S1084-G1086 PolarHBondContact O-N 3.37Å; S1084-A1087 PolarHBondContact O-N 2.98Å
1085	F	34.3	Very low	51.2	Low	228 Å²	228	89.6 Å²	89.6	100%	1	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	25.6	-175.4	-154.5	-101.3	0	0	0	114.3
1086	G	38	Very low	51.8	Low	65 Å²	65	89.4 Å²	89.4	67%	0.67	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.8	3.4	-176.6	0	0	0	0	0	115.7	S1084 F1088	S1084-G1086 PolarHBondContact O-N 3.37Å; G1086-F1088 PolarHBondContact O-N 3.08Å
1087	A	38.8	Very low	52.5	Low	78 Å²	78	93.2 Å²	93.2	65%	0.645	52%	0.517	S	S	*	.			trans	-85.3	96.1	170.9	0	0	0	0	0	109.8	S1084 L1089	S1084-A1087 PolarHBondContact O-N 2.98Å; A1087-L1089 PolarHBondContact O-N 3.1Å; A1087-L1089 VanDerWaalsContact O-N 3.1Å
1088	F	39.4	Very low	53.3	Low	190 Å²	190	92.1 Å²	92.1	83%	0.833	52%	0.52	S	S	*	.			trans	-56.4	111.9	170.3	-102.8	-101.3	0	0	0	110.1	G1086	G1086-F1088 PolarHBondContact O-N 3.08Å
1089	L	42.8	Very low	54.6	Low	88 Å²	88	92 Å²	92	46%	0.461	52%	0.519	S	S	.	.			trans	51.7	103.2	146.4	-65.1	169.2	0	0	0	118.3	A1087 L1091 S1092	A1087-L1089 PolarHBondContact O-N 3.1Å; A1087-L1089 VanDerWaalsContact O-N 3.1Å; L1089-L1091 HydrophobicContact CB-CB 3.72Å; L1089-L1091 HydrophobicContact CD1-CB 4.42Å; L1089-L1091 HydrophobicContact CD1-CD2 4.29Å; L1089-L1091 HydrophobicContact CD2-CB 4.12Å; L1089-L1091 HydrophobicContact CG-CB 4.3Å; L1089-L1091 PolarHBondContact O-N 3.41Å; L1089-S1092 PolarHBondContact O-N 3.34Å
1090	D	50.6	Low	56	Low	81 Å²	81	93.6 Å²	93.6	43%	0.433	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	15.6	152	-107.9	-14.2	0	0	0	113	I1080 S1092 F1093	I1080-D1090 HydrophobicContact CD1-CB 4.11Å; I1080-D1090 HydrophobicContact CG1-CB 4.36Å; I1080-D1090 HydrophobicContact CG2-CB 4.37Å; D1090-S1092 PolarHBondContact O-N 3.48Å; D1090-F1093 PolarHBondContact O-N 3.48Å
1091	L	54.5	Low	57.7	Low	75 Å²	75	97 Å²	97	39%	0.393	53%	0.526	S	S	.	.	H	α-helix	trans	-56.2	-27.4	159.7	-157.7	76.3	0	0	0	110.5	L1089 F1093 I1094 T1095	L1089-L1091 HydrophobicContact CB-CB 3.72Å; L1089-L1091 HydrophobicContact CD1-CB 4.42Å; L1089-L1091 HydrophobicContact CD1-CD2 4.29Å; L1089-L1091 HydrophobicContact CD2-CB 4.12Å; L1089-L1091 HydrophobicContact CG-CB 4.3Å; L1089-L1091 PolarHBondContact O-N 3.41Å; L1091-F1093 VanDerWaalsContact C-N 3.31Å; L1091-F1093 PolarHBondContact O-N 3.06Å; L1091-I1094 PolarHBondContact O-N 3.02Å; L1091-T1095 HydrophobicContact CD2-CG2 4.36Å; L1091-T1095 HydrophobicContact CG-CG2 3.86Å; L1091-T1095 VanDerWaalsContact O-CB 3.26Å; L1091-T1095 WeakPolarHBondContact O-CB 3.42Å; L1091-T1095 VanDerWaalsContact O-CG2 3.29Å; L1091-T1095 WeakPolarHBondContact O-CG2 3.35Å; L1091-T1095 PolarHBondContact O-N 3.31Å; L1091-T1095 PolarHBondContact O-OG1 3.44Å
1092	S	57.3	Low	60	Low	79 Å²	79	95.5 Å²	95.5	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-46.1	-51	170.2	168.5	0	0	0	0	112.3	L1089 D1090 T1095 T1096	L1089-S1092 PolarHBondContact O-N 3.34Å; D1090-S1092 PolarHBondContact O-N 3.48Å; S1092-T1095 PolarHBondContact O-OG1 3.35Å; S1092-T1096 PolarHBondContact O-N 3.36Å; S1092-T1096 PolarHBondContact O-OG1 3.39Å
1093	F	64.3	Low	62.1	Low	32 Å²	32	85.8 Å²	85.8	14%	0.14	46%	0.464	C	S	.	.	H	α-helix	trans	-67.4	-48.7	-177.3	179.5	-111.3	0	0	0	113.1	F1022 E1025 H1028 I1032 D1090 L1091 T1095 T1096 F1099	F1022-F1093 HydrophobicContact CE1-CZ 4.48Å; E1025-F1093 HydrophobicContact CB-CZ 4.38Å; E1025-F1093 HydrophobicContact CG-CE2 4.31Å; E1025-F1093 HydrophobicContact CG-CZ 4.45Å; E1025-F1093 WeakPolarHBondContact OE2-CE2 3.24Å; E1025-F1093 WeakPolarHBondContact OE2-CZ 3.47Å; H1028-F1093 HydrophobicContact CB-CE1 3.93Å; H1028-F1093 HydrophobicContact CB-CZ 4.47Å; I1032-F1093 HydrophobicContact CD1-CZ 4.47Å; I1032-F1093 HydrophobicContact CG1-CE1 4.46Å; D1090-F1093 PolarHBondContact O-N 3.48Å; L1091-F1093 VanDerWaalsContact C-N 3.31Å; L1091-F1093 PolarHBondContact O-N 3.06Å; F1093-T1095 VanDerWaalsContact C-N 3.29Å; F1093-T1095 PolarHBondContact O-N 3.32Å; F1093-T1096 VanDerWaalsContact CA-OG1 3.28Å; F1093-T1096 WeakPolarHBondContact CA-OG1 3.06Å; F1093-T1096 WeakPolarHBondContact O-CB 3.41Å; F1093-T1096 PolarHBondContact O-N 2.92Å; F1093-T1096 VanDerWaalsContact O-N 3.11Å; F1093-T1096 PolarHBondContact O-OG1 3Å; F1093-F1099 HydrophobicContact CD1-CD2 4.26Å; F1093-F1099 AromaticContact CE1-CD2 3.74Å; F1093-F1099 HydrophobicContact CE1-CD2 3.74Å; F1093-F1099 HydrophobicContact CE1-CE2 4.15Å; F1093-F1099 HydrophobicContact CZ-CD2 4.11Å; F1093-F1099 VanDerWaalsContact O-CB 3.28Å; F1093-F1099 WeakPolarHBondContact O-CB 3.42Å
1094	I	68	Low	64.5	Low	28 Å²	28	83.2 Å²	83.2	14%	0.144	45%	0.452	C	S	.	.	H	α-helix	trans	-67.6	-31.6	179.9	-63.8	176.1	0	0	0	111.4	L1071 L1091 T1096 F1099	L1071-I1094 HydrophobicContact CD2-CD1 4.14Å; L1091-I1094 PolarHBondContact O-N 3.02Å; I1094-T1096 VanDerWaalsContact C-N 3.32Å; I1094-F1099 HydrophobicContact CB-CD1 4.47Å; I1094-F1099 HydrophobicContact CB-CE1 4.32Å; I1094-F1099 HydrophobicContact CG1-CE2 4.47Å; I1094-F1099 HydrophobicContact CG1-CZ 4.3Å; I1094-F1099 HydrophobicContact CG2-CD1 4.16Å; I1094-F1099 HydrophobicContact CG2-CE1 3.73Å; I1094-F1099 HydrophobicContact CG2-CZ 4.19Å; I1094-F1099 WeakPolarHBondContact O-CD1 3.19Å
1095	T	66.3	Low	67.2	Low	83 Å²	83	79.5 Å²	79.5	51%	0.509	43%	0.427	S	S	.	.	H	α-helix	trans	-85.7	-4.5	175.2	58.8	0	0	0	0	113	L1091 S1092 F1093	L1091-T1095 HydrophobicContact CD2-CG2 4.36Å; L1091-T1095 HydrophobicContact CG-CG2 3.86Å; L1091-T1095 VanDerWaalsContact O-CB 3.26Å; L1091-T1095 WeakPolarHBondContact O-CB 3.42Å; L1091-T1095 VanDerWaalsContact O-CG2 3.29Å; L1091-T1095 WeakPolarHBondContact O-CG2 3.35Å; L1091-T1095 PolarHBondContact O-N 3.31Å; L1091-T1095 PolarHBondContact O-OG1 3.44Å; S1092-T1095 PolarHBondContact O-OG1 3.35Å; F1093-T1095 VanDerWaalsContact C-N 3.29Å; F1093-T1095 PolarHBondContact O-N 3.32Å
1096	T	78.6	Confident	69.9	Low	55 Å²	55	68.9 Å²	68.9	34%	0.337	38%	0.381	S	S	.	.	S	Bend	trans	-68.3	139.4	178.4	-35.8	0	0	0	0	109.4	S1092 F1093 I1094 P1098 F1099 L1100	S1092-T1096 PolarHBondContact O-N 3.36Å; S1092-T1096 PolarHBondContact O-OG1 3.39Å; F1093-T1096 VanDerWaalsContact CA-OG1 3.28Å; F1093-T1096 WeakPolarHBondContact CA-OG1 3.06Å; F1093-T1096 WeakPolarHBondContact O-CB 3.41Å; F1093-T1096 PolarHBondContact O-N 2.92Å; F1093-T1096 VanDerWaalsContact O-N 3.11Å; F1093-T1096 PolarHBondContact O-OG1 3Å; I1094-T1096 VanDerWaalsContact C-N 3.32Å; T1096-P1098 VanDerWaalsContact C-N 3.32Å; T1096-P1098 HydrophobicContact CG2-CG 4.11Å; T1096-F1099 WeakPolarHBondContact O-CB 3.36Å; T1096-F1099 PolarHBondContact O-N 2.61Å; T1096-L1100 PolarHBondContact O-N 3.35Å
1097	W	79	Confident	72.5	Confident	195 Å²	195	66.5 Å²	66.5	74%	0.739	35%	0.353	S	S	*	.	H	α-helix	trans	-51.6	-41.2	177.1	-174.7	-109.7	0	0	0	114.5	F1099 L1100 W1101	W1097-F1099 PolarHBondContact O-N 3.42Å; W1097-L1100 PolarHBondContact O-N 3.22Å; W1097-W1101 VanDerWaalsContact O-CD1 3.28Å; W1097-W1101 PolarHBondContact O-N 3.28Å
1098	P	81.7	Confident	75	Confident	53 Å²	53	67 Å²	67	34%	0.344	35%	0.345	S	S	.	.	H	α-helix	trans	-57.4	-41.1	174	-25.9	37.8	0	0	0	114	T1096 W1101 K1102	T1096-P1098 VanDerWaalsContact C-N 3.32Å; T1096-P1098 HydrophobicContact CG2-CG 4.11Å; P1098-W1101 VanDerWaalsContact CA-CD1 3.48Å; P1098-K1102 WeakPolarHBondContact O-CB 2.93Å; P1098-K1102 WeakPolarHBondContact O-CD 3.35Å; P1098-K1102 WeakPolarHBondContact O-CG 3.47Å; P1098-K1102 PolarHBondContact O-N 3Å
1099	F	84.4	Confident	77.5	Confident	5 Å²	5	61.7 Å²	61.7	2%	0.022	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-50.6	177.5	179.1	-87.7	0	0	0	110.5	F1022 I1032 T1035 F1093 I1094 T1096 W1097 W1101 K1102 V1103	F1022-F1099 HydrophobicContact CE1-CD2 4.34Å; F1022-F1099 HydrophobicContact CZ-CD2 4.38Å; I1032-F1099 HydrophobicContact CB-CE2 4.44Å; I1032-F1099 HydrophobicContact CG1-CD2 4.19Å; I1032-F1099 HydrophobicContact CG1-CE2 3.74Å; T1035-F1099 HydrophobicContact CG2-CE1 4.26Å; T1035-F1099 HydrophobicContact CG2-CZ 4.21Å; F1093-F1099 HydrophobicContact CD1-CD2 4.26Å; F1093-F1099 AromaticContact CE1-CD2 3.74Å; F1093-F1099 HydrophobicContact CE1-CD2 3.74Å; F1093-F1099 HydrophobicContact CE1-CE2 4.15Å; F1093-F1099 HydrophobicContact CZ-CD2 4.11Å; F1093-F1099 VanDerWaalsContact O-CB 3.28Å; F1093-F1099 WeakPolarHBondContact O-CB 3.42Å; I1094-F1099 HydrophobicContact CB-CD1 4.47Å; I1094-F1099 HydrophobicContact CB-CE1 4.32Å; I1094-F1099 HydrophobicContact CG1-CE2 4.47Å; I1094-F1099 HydrophobicContact CG1-CZ 4.3Å; I1094-F1099 HydrophobicContact CG2-CD1 4.16Å; I1094-F1099 HydrophobicContact CG2-CE1 3.73Å; I1094-F1099 HydrophobicContact CG2-CZ 4.19Å; I1094-F1099 WeakPolarHBondContact O-CD1 3.19Å; T1096-F1099 WeakPolarHBondContact O-CB 3.36Å; T1096-F1099 PolarHBondContact O-N 2.61Å; W1097-F1099 PolarHBondContact O-N 3.42Å; F1099-W1101 PolarHBondContact O-N 3.35Å; F1099-K1102 PolarHBondContact O-N 2.93Å; F1099-V1103 HydrophobicContact CD1-CG2 4.18Å; F1099-V1103 HydrophobicContact CD2-CG2 4.27Å; F1099-V1103 HydrophobicContact CE1-CG2 3.91Å; F1099-V1103 HydrophobicContact CE2-CG2 4.02Å; F1099-V1103 HydrophobicContact CG-CG2 4.35Å; F1099-V1103 HydrophobicContact CZ-CG2 3.84Å; F1099-V1103 WeakPolarHBondContact O-CB 3.48Å; F1099-V1103 VanDerWaalsContact O-CG2 3.29Å; F1099-V1103 WeakPolarHBondContact O-CG2 3.48Å; F1099-V1103 PolarHBondContact O-N 3.32Å
1100	L	84.3	Confident	79.9	Confident	80 Å²	80	57.5 Å²	57.5	42%	0.419	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-48.5	-176.7	-70.7	172.5	0	0	0	112.7	T1096 W1097 S1104	T1096-L1100 PolarHBondContact O-N 3.35Å; W1097-L1100 PolarHBondContact O-N 3.22Å; L1100-S1104 WeakPolarHBondContact O-CB 3.1Å; L1100-S1104 PolarHBondContact O-N 3.22Å; L1100-S1104 PolarHBondContact O-OG 3.3Å
1101	W	87.9	Confident	81.8	Confident	121 Å²	121	53.7 Å²	53.7	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-71.5	-39	-178.1	89.4	-102.4	0	0	0	112	L1021 W1097 P1098 F1099 S1104 A1105	L1021-W1101 HydrophobicContact CD2-CH2 4.33Å; W1097-W1101 VanDerWaalsContact O-CD1 3.28Å; W1097-W1101 PolarHBondContact O-N 3.28Å; P1098-W1101 VanDerWaalsContact CA-CD1 3.48Å; F1099-W1101 PolarHBondContact O-N 3.35Å; W1101-S1104 PolarHBondContact O-N 2.6Å; W1101-A1105 HydrophobicContact CE3-CB 4.19Å; W1101-A1105 HydrophobicContact CZ3-CB 4.16Å; W1101-A1105 WeakPolarHBondContact O-CB 3.27Å; W1101-A1105 PolarHBondContact O-N 3.44Å
1102	K	89.7	Confident	83.4	Confident	34 Å²	34	53.9 Å²	53.9	15%	0.148	29%	0.286	C	S	.	.	H	α-helix	trans	-66.9	-45.5	178.9	-71.6	175.6	-179.6	-171.9	0	111.3	L1021 F1022 P1098 F1099 S1104 A1105 I1106	L1021-K1102 HydrophobicContact CB-CD 4.41Å; L1021-K1102 HydrophobicContact CD2-CG 4.45Å; L1021-K1102 WeakPolarHBondContact O-CE 3.28Å; L1021-K1102 PolarHBondContact O-NZ 3.06Å; F1022-K1102 HydrophobicContact CD1-CD 4.02Å; F1022-K1102 HydrophobicContact CD2-CB 4.48Å; F1022-K1102 HydrophobicContact CD2-CD 4.25Å; F1022-K1102 HydrophobicContact CE1-CB 4.28Å; F1022-K1102 HydrophobicContact CE1-CD 3.59Å; F1022-K1102 HydrophobicContact CE2-CB 3.46Å; F1022-K1102 VanDerWaalsContact CE2-CB 3.46Å; F1022-K1102 HydrophobicContact CE2-CD 3.83Å; F1022-K1102 HydrophobicContact CE2-CG 4.29Å; F1022-K1102 HydrophobicContact CG-CD 4.36Å; F1022-K1102 HydrophobicContact CZ-CB 3.35Å; F1022-K1102 HydrophobicContact CZ-CD 3.5Å; F1022-K1102 HydrophobicContact CZ-CG 4.09Å; P1098-K1102 WeakPolarHBondContact O-CB 2.93Å; P1098-K1102 WeakPolarHBondContact O-CD 3.35Å; P1098-K1102 WeakPolarHBondContact O-CG 3.47Å; P1098-K1102 PolarHBondContact O-N 3Å; F1099-K1102 PolarHBondContact O-N 2.93Å; K1102-S1104 VanDerWaalsContact C-N 3.33Å; K1102-S1104 PolarHBondContact O-N 3.21Å; K1102-A1105 WeakPolarHBondContact O-CB 3.25Å; K1102-A1105 PolarHBondContact O-N 2.79Å; K1102-I1106 WeakPolarHBondContact O-CG1 3.1Å; K1102-I1106 PolarHBondContact O-N 3.4Å
1103	V	88.9	Confident	84.9	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-42.3	174.8	171.4	0	0	0	0	110.5	F1022 I1032 T1035 A1036 L1039 F1099 A1105 I1106 T1107	F1022-V1103 HydrophobicContact CE2-CG2 4.43Å; F1022-V1103 HydrophobicContact CZ-CG2 4.21Å; I1032-V1103 HydrophobicContact CG2-CG2 4.26Å; T1035-V1103 HydrophobicContact CG2-CG1 4.13Å; A1036-V1103 HydrophobicContact CB-CG1 4.2Å; L1039-V1103 HydrophobicContact CD1-CG1 4.06Å; F1099-V1103 HydrophobicContact CD1-CG2 4.18Å; F1099-V1103 HydrophobicContact CD2-CG2 4.27Å; F1099-V1103 HydrophobicContact CE1-CG2 3.91Å; F1099-V1103 HydrophobicContact CE2-CG2 4.02Å; F1099-V1103 HydrophobicContact CG-CG2 4.35Å; F1099-V1103 HydrophobicContact CZ-CG2 3.84Å; F1099-V1103 WeakPolarHBondContact O-CB 3.48Å; F1099-V1103 VanDerWaalsContact O-CG2 3.29Å; F1099-V1103 WeakPolarHBondContact O-CG2 3.48Å; F1099-V1103 PolarHBondContact O-N 3.32Å; V1103-A1105 VanDerWaalsContact C-N 3.31Å; V1103-A1105 PolarHBondContact O-N 2.84Å; V1103-I1106 PolarHBondContact O-N 3.17Å; V1103-T1107 HydrophobicContact CG1-CG2 4.38Å; V1103-T1107 WeakPolarHBondContact O-CG2 3.27Å; V1103-T1107 PolarHBondContact O-N 2.83Å; V1103-T1107 PolarHBondContact O-OG1 3.22Å
1104	S	89.4	Confident	86.1	Confident	66 Å²	66	51.9 Å²	51.9	46%	0.462	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-35.7	175.2	-60.7	0	0	0	0	112.8	L1100 W1101 K1102 T1107 L1108	L1100-S1104 WeakPolarHBondContact O-CB 3.1Å; L1100-S1104 PolarHBondContact O-N 3.22Å; L1100-S1104 PolarHBondContact O-OG 3.3Å; W1101-S1104 PolarHBondContact O-N 2.6Å; K1102-S1104 VanDerWaalsContact C-N 3.33Å; K1102-S1104 PolarHBondContact O-N 3.21Å; S1104-T1107 WeakPolarHBondContact CA-OG1 3.12Å; S1104-T1107 PolarHBondContact O-OG1 3.07Å; S1104-L1108 WeakPolarHBondContact O-CB 3.09Å; S1104-L1108 PolarHBondContact O-N 2.83Å
1105	A	92.1	Very high	87	Confident	29 Å²	29	55.7 Å²	55.7	24%	0.24	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-44.1	175	0	0	0	0	0	111.2	W1101 K1102 V1103 L1108 V1109	W1101-A1105 HydrophobicContact CE3-CB 4.19Å; W1101-A1105 HydrophobicContact CZ3-CB 4.16Å; W1101-A1105 WeakPolarHBondContact O-CB 3.27Å; W1101-A1105 PolarHBondContact O-N 3.44Å; K1102-A1105 WeakPolarHBondContact O-CB 3.25Å; K1102-A1105 PolarHBondContact O-N 2.79Å; V1103-A1105 VanDerWaalsContact C-N 3.31Å; V1103-A1105 PolarHBondContact O-N 2.84Å; A1105-L1108 PolarHBondContact O-N 3.03Å; A1105-V1109 VanDerWaalsContact O-CG2 3.28Å; A1105-V1109 WeakPolarHBondContact O-CG2 3.5Å; A1105-V1109 PolarHBondContact O-N 3.09Å
1106	I	92.3	Very high	88	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-47.5	176.7	-64.4	166.5	0	0	0	110.6	L1014 L1021 F1022 A1036 K1102 V1103 L1108 V1109 S1110	L1014-I1106 HydrophobicContact CD2-CG2 3.93Å; L1021-I1106 HydrophobicContact CD1-CD1 3.86Å; L1021-I1106 HydrophobicContact CD1-CG1 3.47Å; L1021-I1106 VanDerWaalsContact CD1-CG1 3.47Å; F1022-I1106 HydrophobicContact CE2-CD1 4.2Å; A1036-I1106 HydrophobicContact CB-CG2 4.18Å; K1102-I1106 WeakPolarHBondContact O-CG1 3.1Å; K1102-I1106 PolarHBondContact O-N 3.4Å; V1103-I1106 PolarHBondContact O-N 3.17Å; I1106-L1108 PolarHBondContact O-N 3.48Å; I1106-V1109 PolarHBondContact O-N 3.29Å; I1106-S1110 WeakPolarHBondContact O-CB 3.43Å; I1106-S1110 PolarHBondContact O-N 3.21Å
1107	T	91.8	Very high	88.4	Confident	15 Å²	15	58 Å²	58	9%	0.092	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-40.4	179.8	57.9	0	0	0	0	111.6	A1036 L1039 V1103 S1104 S1110 C1111	A1036-T1107 HydrophobicContact CB-CG2 4.28Å; L1039-T1107 HydrophobicContact CB-CG2 3.81Å; V1103-T1107 HydrophobicContact CG1-CG2 4.38Å; V1103-T1107 WeakPolarHBondContact O-CG2 3.27Å; V1103-T1107 PolarHBondContact O-N 2.83Å; V1103-T1107 PolarHBondContact O-OG1 3.22Å; S1104-T1107 WeakPolarHBondContact CA-OG1 3.12Å; S1104-T1107 PolarHBondContact O-OG1 3.07Å; T1107-S1110 WeakPolarHBondContact O-CB 3.43Å; T1107-S1110 PolarHBondContact O-N 2.96Å; T1107-C1111 PolarHBondContact O-N 3.06Å; T1107-C1111 VanDerWaalsContact O-N 3.09Å
1108	L	91.1	Very high	88.7	Confident	90 Å²	90	51.6 Å²	51.6	47%	0.471	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-46.4	177.7	-174.2	67.4	0	0	0	111.8	S1104 A1105 I1106 S1110 C1111 L1112	S1104-L1108 WeakPolarHBondContact O-CB 3.09Å; S1104-L1108 PolarHBondContact O-N 2.83Å; A1105-L1108 PolarHBondContact O-N 3.03Å; I1106-L1108 PolarHBondContact O-N 3.48Å; L1108-S1110 VanDerWaalsContact C-N 3.27Å; L1108-S1110 PolarHBondContact O-N 2.93Å; L1108-C1111 PolarHBondContact O-N 3.21Å; L1108-L1112 HydrophobicContact CD1-CB 4.12Å; L1108-L1112 HydrophobicContact CD1-CD1 4.46Å; L1108-L1112 HydrophobicContact CD1-CD2 4.39Å; L1108-L1112 HydrophobicContact CG-CB 4.33Å; L1108-L1112 HydrophobicContact CG-CD2 4.36Å; L1108-L1112 WeakPolarHBondContact O-CB 3.36Å; L1108-L1112 PolarHBondContact O-N 3.34Å
1109	V	93.3	Very high	88.9	Confident	78 Å²	78	55 Å²	55	47%	0.473	28%	0.276	S	S	.	.	H	α-helix	trans	-66.1	-31.8	178.7	174.7	0	0	0	0	111.7	Y1009 I1013 A1105 I1106 P1113	Y1009-V1109 PolarHBondContact OH-O 2.95Å; Y1009-V1109 VanDerWaalsContact OH-O 3.11Å; I1013-V1109 HydrophobicContact CD1-CG1 4.3Å; I1013-V1109 HydrophobicContact CG2-CB 4.46Å; I1013-V1109 HydrophobicContact CG2-CG1 4.1Å; A1105-V1109 VanDerWaalsContact O-CG2 3.28Å; A1105-V1109 WeakPolarHBondContact O-CG2 3.5Å; A1105-V1109 PolarHBondContact O-N 3.09Å; I1106-V1109 PolarHBondContact O-N 3.29Å; V1109-P1113 WeakPolarHBondContact O-CD 3.28Å
1110	S	92.6	Very high	89	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-41	174.4	-174.9	0	0	0	0	112.7	Q1010 T1040 I1106 T1107 L1108	Q1010-S1110 WeakPolarHBondContact CB-OG 3.42Å; Q1010-S1110 WeakPolarHBondContact CG-OG 3.35Å; Q1010-S1110 PolarHBondContact NE2-O 3.03Å; T1040-S1110 WeakPolarHBondContact CG2-OG 3.48Å; I1106-S1110 WeakPolarHBondContact O-CB 3.43Å; I1106-S1110 PolarHBondContact O-N 3.21Å; T1107-S1110 WeakPolarHBondContact O-CB 3.43Å; T1107-S1110 PolarHBondContact O-N 2.96Å; L1108-S1110 VanDerWaalsContact C-N 3.27Å; L1108-S1110 PolarHBondContact O-N 2.93Å
1111	C	90.3	Very high	89	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	30%	0.301	C	S	.	.	H	α-helix	trans	-98.2	-37.3	-173.1	-72.3	0	0	0	0	115.2	L1043 L1047 T1107 L1108 L1114 Y1115	L1043-C1111 HydrophobicContact CD2-CB 3.9Å; L1043-C1111 HydrophobicContact CG-CB 4.42Å; L1047-C1111 HydrophobicContact CD1-CB 4.16Å; T1107-C1111 PolarHBondContact O-N 3.06Å; T1107-C1111 VanDerWaalsContact O-N 3.09Å; L1108-C1111 PolarHBondContact O-N 3.21Å; C1111-L1114 PolarHBondContact O-N 3.36Å; C1111-Y1115 PolarHBondContact O-N 3.14Å; C1111-Y1115 VanDerWaalsContact O-N 3.13Å
1112	L	89	Confident	88.7	Confident	78 Å²	78	60.5 Å²	60.5	41%	0.408	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-46	-168.7	-176.9	72.3	0	0	0	113.4	L1108 L1114 Y1115 I1116	L1108-L1112 HydrophobicContact CD1-CB 4.12Å; L1108-L1112 HydrophobicContact CD1-CD1 4.46Å; L1108-L1112 HydrophobicContact CD1-CD2 4.39Å; L1108-L1112 HydrophobicContact CG-CB 4.33Å; L1108-L1112 HydrophobicContact CG-CD2 4.36Å; L1108-L1112 WeakPolarHBondContact O-CB 3.36Å; L1108-L1112 PolarHBondContact O-N 3.34Å; L1112-L1114 VanDerWaalsContact C-N 3.28Å; L1112-L1114 PolarHBondContact O-N 3.15Å; L1112-Y1115 WeakPolarHBondContact O-CB 3.45Å; L1112-Y1115 PolarHBondContact O-N 3.31Å; L1112-Y1115 VanDerWaalsContact O-N 3.17Å; L1112-I1116 HydrophobicContact CD1-CD1 4.48Å; L1112-I1116 HydrophobicContact CG-CD1 4.04Å; L1112-I1116 WeakPolarHBondContact O-CG1 3.48Å; L1112-I1116 PolarHBondContact O-N 3.17Å
1113	P	88.8	Confident	88.4	Confident	42 Å²	42	65.6 Å²	65.6	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-36.1	-180	-27.7	41.5	0	0	0	112.6	Y1009 V1109 I1116 I1117	Y1009-P1113 WeakPolarHBondContact OH-CG 3.44Å; V1109-P1113 WeakPolarHBondContact O-CD 3.28Å; P1113-I1116 PolarHBondContact O-N 3.24Å; P1113-I1117 VanDerWaalsContact O-CG1 3.26Å; P1113-I1117 WeakPolarHBondContact O-CG1 3.2Å; P1113-I1117 PolarHBondContact O-N 3.16Å
1114	L	88.3	Confident	88.3	Confident	28 Å²	28	73.4 Å²	73.4	15%	0.147	36%	0.356	C	S	.	.	H	α-helix	trans	-66.2	-40.2	176.7	-60.4	175.4	0	0	0	111.7	I1006 Y1009 Q1010 C1111 L1112 I1117 K1118	I1006-L1114 HydrophobicContact CG1-CD2 4.04Å; I1006-L1114 HydrophobicContact CG2-CD1 3.62Å; I1006-L1114 HydrophobicContact CG2-CD2 4.3Å; Y1009-L1114 HydrophobicContact CD1-CD1 4.34Å; Y1009-L1114 HydrophobicContact CD1-CD2 4.2Å; Y1009-L1114 HydrophobicContact CD1-CG 4.3Å; Y1009-L1114 HydrophobicContact CE1-CD2 4.41Å; Y1009-L1114 HydrophobicContact CE1-CG 4.21Å; Q1010-L1114 VanDerWaalsContact CD-CD1 3.49Å; Q1010-L1114 HydrophobicContact CG-CD1 3.71Å; C1111-L1114 PolarHBondContact O-N 3.36Å; L1112-L1114 VanDerWaalsContact C-N 3.28Å; L1112-L1114 PolarHBondContact O-N 3.15Å; L1114-I1117 PolarHBondContact O-N 3.18Å; L1114-K1118 VanDerWaalsContact O-CB 3.3Å; L1114-K1118 WeakPolarHBondContact O-CB 3.39Å; L1114-K1118 PolarHBondContact O-N 3.23Å
1115	Y	87.5	Confident	87.8	Confident	107 Å²	107	74.1 Å²	74.1	42%	0.42	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-45.1	174.9	-179.5	-99.5	0	0	0	111.8	L1047 C1111 L1112 I1117 K1118 Y1119	L1047-Y1115 HydrophobicContact CB-CD2 4.4Å; L1047-Y1115 HydrophobicContact CD1-CD2 4.47Å; L1047-Y1115 HydrophobicContact CD2-CD2 3.8Å; L1047-Y1115 HydrophobicContact CD2-CE2 4.02Å; L1047-Y1115 HydrophobicContact CD2-CG 4.47Å; L1047-Y1115 HydrophobicContact CG-CD2 4.46Å; C1111-Y1115 PolarHBondContact O-N 3.14Å; C1111-Y1115 VanDerWaalsContact O-N 3.13Å; L1112-Y1115 WeakPolarHBondContact O-CB 3.45Å; L1112-Y1115 PolarHBondContact O-N 3.31Å; L1112-Y1115 VanDerWaalsContact O-N 3.17Å; Y1115-I1117 PolarHBondContact O-N 3.43Å; Y1115-K1118 WeakPolarHBondContact O-CB 3.17Å; Y1115-K1118 PolarHBondContact O-N 2.9Å; Y1115-Y1119 WeakPolarHBondContact O-CB 3.31Å; Y1115-Y1119 PolarHBondContact O-N 3.32Å
1116	I	88.3	Confident	87.1	Confident	81 Å²	81	75.1 Å²	75.1	42%	0.415	37%	0.365	S	S	.	.	H	α-helix	trans	-59.7	-48.7	177	-66.3	167.8	0	0	0	110.3	L1112 P1113 K1118 Y1119 L1120	L1112-I1116 HydrophobicContact CD1-CD1 4.48Å; L1112-I1116 HydrophobicContact CG-CD1 4.04Å; L1112-I1116 WeakPolarHBondContact O-CG1 3.48Å; L1112-I1116 PolarHBondContact O-N 3.17Å; P1113-I1116 PolarHBondContact O-N 3.24Å; I1116-K1118 VanDerWaalsContact C-N 3.31Å; I1116-K1118 PolarHBondContact O-N 3.37Å; I1116-Y1119 PolarHBondContact O-N 3.2Å; I1116-L1120 HydrophobicContact CG2-CD1 3.87Å; I1116-L1120 HydrophobicContact CG2-CG 4.24Å; I1116-L1120 WeakPolarHBondContact O-CB 3.21Å; I1116-L1120 VanDerWaalsContact O-CG 3.29Å; I1116-L1120 WeakPolarHBondContact O-CG 3.2Å; I1116-L1120 PolarHBondContact O-N 3.01Å
1117	I	86.8	Confident	86.1	Confident	107 Å²	107	77 Å²	77	55%	0.549	38%	0.377	S	S	.	.	H	α-helix	trans	-58.6	-44.1	177.5	-68.9	165.6	0	0	0	110.9	P1113 L1114 Y1115 L1120 K1121	P1113-I1117 VanDerWaalsContact O-CG1 3.26Å; P1113-I1117 WeakPolarHBondContact O-CG1 3.2Å; P1113-I1117 PolarHBondContact O-N 3.16Å; L1114-I1117 PolarHBondContact O-N 3.18Å; Y1115-I1117 PolarHBondContact O-N 3.43Å; I1117-L1120 PolarHBondContact O-N 3.01Å; I1117-K1121 VanDerWaalsContact O-CB 3.29Å; I1117-K1121 WeakPolarHBondContact O-CB 3.45Å; I1117-K1121 PolarHBondContact O-N 3.22Å
1118	K	84.9	Confident	85.1	Confident	60 Å²	60	79.4 Å²	79.4	26%	0.261	40%	0.395	S	S	.	.	H	α-helix	trans	-63.4	-42.5	177.9	-177.3	-178.1	176.7	-174.2	0	111.8	L1047 L1114 Y1115 I1116 R1122	L1047-K1118 PolarHBondContact O-NZ 3.5Å; L1114-K1118 VanDerWaalsContact O-CB 3.3Å; L1114-K1118 WeakPolarHBondContact O-CB 3.39Å; L1114-K1118 PolarHBondContact O-N 3.23Å; Y1115-K1118 WeakPolarHBondContact O-CB 3.17Å; Y1115-K1118 PolarHBondContact O-N 2.9Å; I1116-K1118 VanDerWaalsContact C-N 3.31Å; I1116-K1118 PolarHBondContact O-N 3.37Å; K1118-R1122 WeakPolarHBondContact O-CG 3.39Å; K1118-R1122 PolarHBondContact O-N 3.1Å
1119	Y	85.4	Confident	84.1	Confident	125 Å²	125	77.2 Å²	77.2	49%	0.49	38%	0.381	S	S	.	.	H	α-helix	trans	-63.9	-49.6	177.1	176.6	-96.2	0	0	0	111.4	Y1115 I1116 K1121 R1122 K1123	Y1115-Y1119 WeakPolarHBondContact O-CB 3.31Å; Y1115-Y1119 PolarHBondContact O-N 3.32Å; I1116-Y1119 PolarHBondContact O-N 3.2Å; Y1119-K1121 VanDerWaalsContact C-N 3.32Å; Y1119-K1121 PolarHBondContact O-N 3.31Å; Y1119-R1122 PolarHBondContact O-N 3.38Å; Y1119-R1122 VanDerWaalsContact O-N 3.16Å; Y1119-K1123 HydrophobicContact CE1-CD 4.34Å; Y1119-K1123 PolarHBondContact O-N 3.47Å
1120	L	87	Confident	82.8	Confident	72 Å²	72	75.3 Å²	75.3	38%	0.377	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-44.3	176.6	-67.5	174.9	0	0	0	111.2	I1116 I1117 R1122 K1123 F1124	I1116-L1120 HydrophobicContact CG2-CD1 3.87Å; I1116-L1120 HydrophobicContact CG2-CG 4.24Å; I1116-L1120 WeakPolarHBondContact O-CB 3.21Å; I1116-L1120 VanDerWaalsContact O-CG 3.29Å; I1116-L1120 WeakPolarHBondContact O-CG 3.2Å; I1116-L1120 PolarHBondContact O-N 3.01Å; I1117-L1120 PolarHBondContact O-N 3.01Å; L1120-R1122 VanDerWaalsContact C-N 3.35Å; L1120-R1122 PolarHBondContact O-N 3.18Å; L1120-K1123 PolarHBondContact O-N 2.97Å; L1120-K1123 VanDerWaalsContact O-N 3.14Å; L1120-F1124 HydrophobicContact CB-CD2 4.24Å; L1120-F1124 HydrophobicContact CB-CE2 4.29Å; L1120-F1124 HydrophobicContact CD2-CE2 4.02Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.22Å; L1120-F1124 PolarHBondContact O-N 3.18Å
1121	K	83.7	Confident	81.8	Confident	135 Å²	135	81.8 Å²	81.8	59%	0.587	40%	0.399	S	S	*	.	H	α-helix	trans	-61.3	-41.5	176.9	-174.3	176.4	-179.6	177.9	0	112.4	I1117 Y1119 K1123 S1125	I1117-K1121 VanDerWaalsContact O-CB 3.29Å; I1117-K1121 WeakPolarHBondContact O-CB 3.45Å; I1117-K1121 PolarHBondContact O-N 3.22Å; Y1119-K1121 VanDerWaalsContact C-N 3.32Å; Y1119-K1121 PolarHBondContact O-N 3.31Å; K1121-K1123 VanDerWaalsContact C-N 3.31Å; K1121-S1125 CarbonylContact O-C 3.53Å; K1121-S1125 WeakPolarHBondContact O-CA 3.48Å; K1121-S1125 PolarHBondContact O-N 3.35Å
1122	R	81.5	Confident	80.7	Confident	113 Å²	113	84.4 Å²	84.4	43%	0.426	41%	0.413	S	S	.	.	H	α-helix	trans	-64.3	-36.4	175.2	-78.6	-179	176.2	-178.3	-1.3	111.9	K1118 Y1119 L1120 P1126	K1118-R1122 WeakPolarHBondContact O-CG 3.39Å; K1118-R1122 PolarHBondContact O-N 3.1Å; Y1119-R1122 PolarHBondContact O-N 3.38Å; Y1119-R1122 VanDerWaalsContact O-N 3.16Å; L1120-R1122 VanDerWaalsContact C-N 3.35Å; L1120-R1122 PolarHBondContact O-N 3.18Å; R1122-P1126 WeakPolarHBondContact O-CA 3.35Å
1123	K	83.9	Confident	79	Confident	142 Å²	142	85.4 Å²	85.4	62%	0.617	43%	0.426	S	S	*	.	H	α-helix	trans	-72.7	-44	179.2	-168.8	171.3	-177.9	175.5	0	112.8	Y1119 L1120 K1121	Y1119-K1123 HydrophobicContact CE1-CD 4.34Å; Y1119-K1123 PolarHBondContact O-N 3.47Å; L1120-K1123 PolarHBondContact O-N 2.97Å; L1120-K1123 VanDerWaalsContact O-N 3.14Å; K1121-K1123 VanDerWaalsContact C-N 3.31Å
1124	F	86.5	Confident	77	Confident	167 Å²	167	90.6 Å²	90.6	73%	0.732	46%	0.464	S	S	*	.	H	α-helix	trans	-86	-27	-177.1	-68.5	-62.8	0	0	0	114.4	L1120	L1120-F1124 HydrophobicContact CB-CD2 4.24Å; L1120-F1124 HydrophobicContact CB-CE2 4.29Å; L1120-F1124 HydrophobicContact CD2-CE2 4.02Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.22Å; L1120-F1124 PolarHBondContact O-N 3.18Å
1125	S	79.4	Confident	76.4	Confident	81 Å²	81	93.8 Å²	93.8	57%	0.566	48%	0.48	S	S	*	.	S	Bend	trans	-139.8	70.1	-179.7	173.7	0	0	0	0	110.3	K1121	K1121-S1125 CarbonylContact O-C 3.53Å; K1121-S1125 WeakPolarHBondContact O-CA 3.48Å; K1121-S1125 PolarHBondContact O-N 3.35Å
1126	P	76.8	Confident	75.8	Confident	51 Å²	51	93.1 Å²	93.1	33%	0.331	48%	0.483	S	S	.	.			trans	-61.8	133.4	-178.8	24.1	-32.7	0	0	0	110.9	R1122 S1130 K1131	R1122-P1126 WeakPolarHBondContact O-CA 3.35Å; P1126-S1130 WeakPolarHBondContact CB-OG 3.36Å; P1126-K1131 HydrophobicContact CB-CG 4.48Å; P1126-K1131 HydrophobicContact CG-CG 4.42Å
1127	P	70.7	Confident	75.1	Confident	43 Å²	43	93.7 Å²	93.7	28%	0.279	49%	0.486	S	S	.	.			trans	-62.6	153.6	175.5	25.8	-33.8	0	0	0	111.8	Y1129 S1130	P1127-Y1129 HydrophobicContact CB-CD1 3.76Å; P1127-Y1129 HydrophobicContact CB-CE1 3.39Å; P1127-Y1129 HydrophobicContact CG-CD1 4.11Å; P1127-Y1129 HydrophobicContact CG-CE1 3.49Å; P1127-Y1129 VanDerWaalsContact CG-CE1 3.49Å; P1127-Y1129 HydrophobicContact CG-CE2 4.09Å; P1127-Y1129 VanDerWaalsContact CG-CZ 3.46Å; P1127-Y1129 PolarHBondContact O-N 2.95Å; P1127-Y1129 VanDerWaalsContact O-N 3.07Å; P1127-S1130 WeakPolarHBondContact CD-OG 3.27Å; P1127-S1130 WeakPolarHBondContact CG-OG 3.49Å; P1127-S1130 PolarHBondContact O-N 3.12Å; P1127-S1130 PolarHBondContact O-OG 3.5Å
1128	S	70.6	Confident	74.4	Confident	67 Å²	67	92.9 Å²	92.9	47%	0.469	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-51.4	-39.5	-174.6	-44.1	0	0	0	0	113.3	S1130 K1131	S1128-S1130 PolarHBondContact O-N 3.35Å; S1128-K1131 PolarHBondContact O-N 3.2Å
1129	Y	70.5	Confident	73.8	Confident	44 Å²	44	95 Å²	95	17%	0.173	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-70	-29.6	179.7	68.2	-96.7	0	0	0	113.9	V974 R1050 P1127 K1131 L1132	V974-Y1129 HydrophobicContact CG2-CD2 4.13Å; V974-Y1129 HydrophobicContact CG2-CG 4.18Å; R1050-Y1129 PolarHBondContact NE-OH 2.76Å; P1127-Y1129 HydrophobicContact CB-CD1 3.76Å; P1127-Y1129 HydrophobicContact CB-CE1 3.39Å; P1127-Y1129 HydrophobicContact CG-CD1 4.11Å; P1127-Y1129 HydrophobicContact CG-CE1 3.49Å; P1127-Y1129 VanDerWaalsContact CG-CE1 3.49Å; P1127-Y1129 HydrophobicContact CG-CE2 4.09Å; P1127-Y1129 VanDerWaalsContact CG-CZ 3.46Å; P1127-Y1129 PolarHBondContact O-N 2.95Å; P1127-Y1129 VanDerWaalsContact O-N 3.07Å; Y1129-K1131 PolarHBondContact O-N 3.31Å; Y1129-L1132 PolarHBondContact O-N 3.37Å
1130	S	66.9	Low	73	Confident	37 Å²	37	93 Å²	93	26%	0.259	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-77.7	-15.1	179.5	67.1	0	0	0	0	112.6	P1126 P1127 S1128 L1132 S1133	P1126-S1130 WeakPolarHBondContact CB-OG 3.36Å; P1127-S1130 WeakPolarHBondContact CD-OG 3.27Å; P1127-S1130 WeakPolarHBondContact CG-OG 3.49Å; P1127-S1130 PolarHBondContact O-N 3.12Å; P1127-S1130 PolarHBondContact O-OG 3.5Å; S1128-S1130 PolarHBondContact O-N 3.35Å; S1130-L1132 VanDerWaalsContact C-N 3.26Å; S1130-S1133 PolarHBondContact O-OG 2.83Å
1131	K	71	Confident	72	Confident	136 Å²	136	94.5 Å²	94.5	59%	0.591	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-75.6	-18	170.9	-60	-177.2	178.6	-175.6	0	112.5	P1126 S1128 Y1129 S1134	P1126-K1131 HydrophobicContact CB-CG 4.48Å; P1126-K1131 HydrophobicContact CG-CG 4.42Å; S1128-K1131 PolarHBondContact O-N 3.2Å; Y1129-K1131 PolarHBondContact O-N 3.31Å; K1131-S1134 PolarHBondContact O-OG 2.74Å
1132	L	66.4	Low	71.1	Confident	56 Å²	56	91.4 Å²	91.4	29%	0.293	50%	0.499	S	S	.	.	S	Bend	trans	-95.7	-12.8	-178.8	-59.9	170.1	0	0	0	112.6	Y982 L985 Y1129 S1130	Y982-L1132 HydrophobicContact CD1-CD1 4.36Å; Y982-L1132 HydrophobicContact CD1-CD2 4.04Å; Y982-L1132 HydrophobicContact CD2-CB 4.33Å; Y982-L1132 HydrophobicContact CD2-CD1 3.93Å; Y982-L1132 HydrophobicContact CD2-CD2 4.23Å; Y982-L1132 HydrophobicContact CD2-CG 4.4Å; Y982-L1132 HydrophobicContact CE1-CD2 3.9Å; Y982-L1132 HydrophobicContact CE2-CB 4.26Å; Y982-L1132 HydrophobicContact CE2-CD2 4.08Å; Y982-L1132 HydrophobicContact CG-CD1 3.82Å; Y982-L1132 HydrophobicContact CG-CD2 4.2Å; L985-L1132 HydrophobicContact CD1-CD1 3.93Å; L985-L1132 HydrophobicContact CD2-CD1 3.84Å; L985-L1132 HydrophobicContact CG-CD1 4.02Å; Y1129-L1132 PolarHBondContact O-N 3.37Å; S1130-L1132 VanDerWaalsContact C-N 3.26Å
1133	S	54.4	Low	70.2	Confident	100 Å²	100	89.6 Å²	89.6	70%	0.699	51%	0.506	S	S	*	.			trans	-95.9	-2.1	179.9	65.6	0	0	0	0	113.9	S1130	S1130-S1133 PolarHBondContact O-OG 2.83Å
1134	S	45.7	Very low	69	Low	151 Å²	151	84.8 Å²	84.8	100%	1.056	50%	0.495	S	S	*	.			trans	-93.9	0	167.7	67	0	0	0	0	109	K1131	K1131-S1134 PolarHBondContact O-OG 2.74Å

Retrieved 1,134 of 1,134 residues in 1154.4 ms (Link to these results)

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