A0A093I0D5_STRCA Loading...

Serine/threonine-protein kinase

AlphaFold DB , UniProt , Accession A0A093I0D5, Species STRCA (Struthio camelus australis), Gene n/a, Length 890 aa.

						>A0A093I0D5_STRCA|A0A093I0D5
MSANDSSPPSLQKFSPPTCHAAAPQTPTLSSSPQSGLSSRLSNGSFSTQSLTNSRGSMHGVSFLLQIGLTRETVTIEAQDLSLSAVKDLVCSIVYQKFPECGFFGMYDKILLFRHDLNSDNILQRITSAEEIHEGDLVEVVLSALATVEDFQIRPHALYVHSYKAPTFCDYCGEMLWGLVRQGLKCEGCGLNYHKRCAFKIPNNCSGVRKRRLSNVSLPGAGLSVPRPVQAECTASASEERCCPEPSKRIPSWSGRPIWMEKMVLCRVKVPHTFAVHSYTRPTICQYCKRLLKGLFRQGMQCKDCRFNCHKRCASKVPKDCLGEVVFNGEPASPGQDLDMPMEVDSSEMNSDGSRGLDDVEEPSPPEDKIFFMDPSDLDADKDEEAVKTISPSTSNNIPLMRVVQSIKHTKRKSSTMVKEGWMVHYTSRDNLRKRHYWRLDSKCLTLFQNESGTKYYKEIPLSEILQVTQPRDFSNMVQGSNPYCFEIITDTMVYFVGENNGSSHHSPVLAATGVGLDVAQGWEKAIRQALMPVTPQASVCTAAGQGKDHKELSLSISVSNSQVQENVDISSVYQIFADEVLGSGQFGIVYGGKHRKTGRDVAIKVIDKMRFPTKQESQLRNEVAILQNLHHPGIVNLECMFETPERVFVVMEKLHGDMLEMILSSEKSRLPERITKFMVTQILVALRNLHFKNIVHCDLKPENVLLASAEPFPQVKLCDFGFARIIGEKSFRRSVVGTPAYLAPEVLRSKGYNRSLDMWSVGVIVYVSLSGTFPFNEDEDINDQIQNAAFMYPPNPWKEISSEAIDLINNLLQVKMRKRFSVDKSLSHPWLQDYQTWLDLREFETRIGERYITHESDDARWKEHAYEHNLEYPQHFIMAPNPDDMEEDP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	35.1	Very low	238 Å²	238	133.8 Å²	133.8	100%	1.172	82%	0.823	S	S	*	*				0	146.4	0	-70.3	173.4	162.6	0	0	108.1
2	S	33.2	Very low	34.4	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	81%	0.81	S	S	*	*			cis	-173.8	133.8	-19.6	-82.5	0	0	0	0	106.5
3	A	37.1	Very low	33.9	Very low	104 Å²	104	135.8 Å²	135.8	86%	0.86	80%	0.798	S	S	*	*			trans	58.9	150.5	179.3	0	0	0	0	0	116.7
4	N	30.8	Very low	33.3	Very low	165 Å²	165	139.9 Å²	139.9	88%	0.882	80%	0.801	S	S	*	*			trans	-164.7	138.1	154.2	-129.1	-0.4	0	0	0	110.4
5	D	36.4	Very low	32.7	Very low	152 Å²	152	137.7 Å²	137.7	81%	0.813	80%	0.798	S	S	*	*			trans	-84	158.9	174	-65.6	-73.2	0	0	0	112.2
6	S	28.9	Very low	34.1	Very low	127 Å²	127	136.1 Å²	136.1	89%	0.888	79%	0.794	S	S	*	*			trans	178.2	166.3	137.4	33.6	0	0	0	0	112.1
7	S	26.6	Very low	34.5	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	79%	0.789	S	S	*	*			trans	-133.7	-175.6	-173.4	71.5	0	0	0	0	111.2
8	P	61.2	Low	34.2	Very low	113 Å²	113	133.8 Å²	133.8	73%	0.734	79%	0.786	S	S	*	*			trans	-90.3	174.3	-146.8	39.4	-42.5	0	0	0	116.8
9	P	46.7	Very low	33.8	Very low	124 Å²	124	132.6 Å²	132.6	81%	0.805	78%	0.784	S	S	*	*				-140.6	-153.6	100.8	43.7	-29.6	0	0	0	111.7
10	S	26.4	Very low	33.4	Very low	91 Å²	91	136 Å²	136	64%	0.636	79%	0.791	S	S	*	*			cis	-162.6	148.8	3.1	53.2	0	0	0	0	113.3
11	L	27.2	Very low	33.2	Very low	140 Å²	140	134.2 Å²	134.2	73%	0.733	79%	0.792	S	S	*	*			trans	50.7	122	137.3	-61.1	171.3	0	0	0	121.6
12	Q	27.1	Very low	33	Very low	144 Å²	144	127.9 Å²	127.9	67%	0.673	78%	0.778	S	S	*	*				73.8	144.5	75.7	-72.4	-171.9	20.6	0	0	115
13	K	26.9	Very low	32.7	Very low	149 Å²	149	127.3 Å²	127.3	65%	0.648	78%	0.78	S	S	*	*			cis	-169.8	179.7	11.4	-129.2	173.2	-172.5	149.5	0	113
14	F	25.8	Very low	32.6	Very low	193 Å²	193	128.3 Å²	128.3	85%	0.846	78%	0.778	S	S	*	*			trans	105.7	146.2	149.7	-73.1	-67.3	0	0	0	123.1
15	S	25.1	Very low	32.3	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	78%	0.776	S	S	*	*			trans	-169	179	176.1	44.1	0	0	0	0	107.5
16	P	54	Low	31.7	Very low	113 Å²	113	127.4 Å²	127.4	73%	0.734	77%	0.771	S	S	*	*			cis	-112	-157.1	-22	43.1	-27.3	0	0	0	110.4
17	P	40.6	Very low	31.9	Very low	110 Å²	110	126.8 Å²	126.8	71%	0.714	76%	0.764	S	S	*	*				-134.3	159.6	60.7	20.7	5.7	0	0	0	113.7
18	T	29.8	Very low	31.8	Very low	121 Å²	121	127.2 Å²	127.2	74%	0.742	76%	0.762	S	S	*	*				43.6	143.7	74.6	60.2	0	0	0	0	116.8
19	C	27.1	Very low	30	Very low	110 Å²	110	129 Å²	129	74%	0.743	77%	0.765	S	S	*	*			cis	-172.7	167	-17.8	-109	0	0	0	0	108
20	H	26.2	Very low	28.9	Very low	200 Å²	200	128.1 Å²	128.1	93%	0.926	76%	0.761	S	S	*	*			trans	-176.8	147.1	134.6	-101	-64.4	0	0	0	112.5
21	A	28.3	Very low	28.7	Very low	99 Å²	99	129.2 Å²	129.2	82%	0.818	77%	0.769	S	S	*	*			trans	-158.1	161.7	176.1	0	0	0	0	0	110.5
22	A	27.2	Very low	28.8	Very low	106 Å²	106	127.9 Å²	127.9	88%	0.876	77%	0.772	S	S	*	*			trans	-159.6	154.6	162.5	0	0	0	0	0	111.7
23	A	26.8	Very low	29.2	Very low	92 Å²	92	126.4 Å²	126.4	76%	0.76	77%	0.774	S	S	*	*			trans	-112.8	-169.8	171.3	0	0	0	0	0	109.8
24	P	35.8	Very low	29.2	Very low	125 Å²	125	128.1 Å²	128.1	81%	0.812	79%	0.785	S	S	*	*				-149.6	-170.2	69.6	40.1	-18.9	0	0	0	115.8
25	Q	24.2	Very low	29.2	Very low	181 Å²	181	124.7 Å²	124.7	85%	0.846	79%	0.785	S	S	*	*			trans	-108.2	-179.7	167.4	-58	179.7	5.8	0	0	109
26	T	22.9	Very low	29.2	Very low	116 Å²	116	123 Å²	123	71%	0.712	79%	0.785	S	S	*	*			cis	-150.9	-160.2	26.2	59.6	0	0	0	0	107.7
27	P	34.7	Very low	27.9	Very low	115 Å²	115	126 Å²	126	75%	0.747	79%	0.794	S	S	*	*			cis	-134.6	-166.7	-8.6	35.6	-12.2	0	0	0	115.7
28	T	24	Very low	27.2	Very low	122 Å²	122	125.8 Å²	125.8	75%	0.748	79%	0.794	S	S	*	*			trans	-62.4	170.8	176.1	53.4	0	0	0	0	115.3
29	L	23.7	Very low	27.1	Very low	152 Å²	152	124.9 Å²	124.9	80%	0.796	79%	0.793	S	S	*	*			cis	-162.9	165.8	28.2	-162.1	77.6	0	0	0	112.8
30	S	22.9	Very low	27.2	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	80%	0.801	S	S	*	*			trans	103.6	137.1	146.2	78.5	0	0	0	0	122.8
31	S	23.4	Very low	27.3	Very low	115 Å²	115	129.9 Å²	129.9	80%	0.804	80%	0.8	S	S	*	*			trans	49.8	117.1	159.1	56.8	0	0	0	0	123.2
32	S	29	Very low	27.3	Very low	112 Å²	112	130.4 Å²	130.4	78%	0.783	80%	0.798	S	S	*	*			trans	-83.6	157.3	142.7	60.7	0	0	0	0	109.9
33	P	35.3	Very low	27.3	Very low	112 Å²	112	133.1 Å²	133.1	73%	0.727	80%	0.797	S	S	*	*				-158.2	166.6	79.2	42.1	-21.7	0	0	0	119.2
34	Q	26.4	Very low	27.3	Very low	185 Å²	185	132.2 Å²	132.2	86%	0.864	80%	0.797	S	S	*	*			trans	68.3	161.4	146.7	-81.3	-173.7	1.9	0	0	123.4
35	S	26.6	Very low	26.9	Very low	121 Å²	121	131.6 Å²	131.6	85%	0.846	80%	0.796	S	S	*	*			trans	67.5	143.7	-179	72.9	0	0	0	0	116.1
36	G	24.2	Very low	27.1	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	80%	0.801	S	S	*	*			cis	113.6	131.6	-14.2	0	0	0	0	0	115.4
37	L	28	Very low	27.3	Very low	176 Å²	176	133 Å²	133	92%	0.921	80%	0.804	S	S	*	*			trans	-160.4	148.8	161	-112	165.6	0	0	0	111
38	S	25.5	Very low	27	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	81%	0.805	S	S	*	*			trans	-138.4	159.2	176.7	-71.6	0	0	0	0	110.4
39	S	27.3	Very low	27.2	Very low	102 Å²	102	137 Å²	137	71%	0.713	81%	0.812	S	S	*	*			trans	75	128.1	167.5	79	0	0	0	0	118.5
40	R	28.1	Very low	27.2	Very low	244 Å²	244	135.4 Å²	135.4	92%	0.921	81%	0.814	S	S	*	*				-170	96.4	121.1	-101	177.3	-169.1	-146	4.7	111.2
41	L	28.5	Very low	28	Very low	172 Å²	172	138 Å²	138	90%	0.901	82%	0.819	S	S	*	*			trans	-151.2	150	147	-89	-173.6	0	0	0	107.6
42	S	28.9	Very low	28.4	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	82%	0.823	S	S	*	*			trans	-149.2	137.5	-163.7	50.5	0	0	0	0	112.5
43	N	26.9	Very low	28.7	Very low	162 Å²	162	142 Å²	142	87%	0.866	83%	0.828	S	S	*	*			trans	-64.7	132.8	170.8	-71.7	0.7	0	0	0	110.7
44	G	27.5	Very low	28.5	Very low	74 Å²	74	142.6 Å²	142.6	76%	0.763	84%	0.835	S	S	*	*			trans	-147.8	120.1	175.6	0	0	0	0	0	110.7
45	S	27.4	Very low	29	Very low	111 Å²	111	146 Å²	146	78%	0.776	84%	0.84	S	S	*	*			trans	-58.4	147	179.1	46.5	0	0	0	0	114.3	S47	S45-S47 PolarHBondContact O-N 3.43Å
46	F	28.8	Very low	29.5	Very low	219 Å²	219	144.1 Å²	144.1	96%	0.961	84%	0.84	S	S	*	*			trans	-64	115.8	166.1	-84.3	-85.1	0	0	0	112
47	S	26.1	Very low	30.3	Very low	109 Å²	109	145.4 Å²	145.4	76%	0.762	84%	0.837	S	S	*	*			trans	-141.4	160.6	150.8	58.7	0	0	0	0	108.7	S45	S45-S47 PolarHBondContact O-N 3.43Å
48	T	29.4	Very low	31.1	Very low	128 Å²	128	144 Å²	144	79%	0.785	83%	0.828	S	S	*	*			trans	-89.6	149.1	-153.8	44.6	0	0	0	0	116.5
49	Q	26.6	Very low	32.7	Very low	191 Å²	191	147 Å²	147	89%	0.893	83%	0.829	S	S	*	*			trans	68.1	116.3	158.9	-66.8	175.1	-3.1	0	0	119.2
50	S	24.8	Very low	34.8	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	81%	0.808	S	S	*	*				169.8	161.9	94.6	-164.3	0	0	0	0	111.6
51	L	38.9	Very low	37.4	Very low	158 Å²	158	132.9 Å²	132.9	83%	0.827	77%	0.771	S	S	*	*			trans	-85.1	149	177.8	-68.9	82.1	0	0	0	112.1
52	T	31.5	Very low	40.2	Very low	146 Å²	146	126.2 Å²	126.2	90%	0.896	74%	0.739	S	S	*	*			trans	-160.6	146	137.1	18.8	0	0	0	0	110.3
53	N	35.2	Very low	43.1	Very low	166 Å²	166	121 Å²	121	89%	0.888	70%	0.702	S	S	*	*			trans	-88.2	141.4	179.5	-78.8	-39.8	0	0	0	112.3
54	S	31	Very low	46.1	Very low	124 Å²	124	116.1 Å²	116.1	87%	0.867	68%	0.676	S	S	*	*			trans	-147.4	139.7	146.6	55.1	0	0	0	0	110.1
55	R	37.8	Very low	49.1	Very low	258 Å²	258	112.8 Å²	112.8	97%	0.974	64%	0.641	S	S	*	*			trans	-90.6	141	-169	-78.5	174.9	163.4	166.1	-7.8	112
56	G	36.3	Very low	51.9	Low	81 Å²	81	108.6 Å²	108.6	84%	0.835	61%	0.609	S	S	*	*			trans	164.6	39.6	171.4	0	0	0	0	0	114.7
57	S	40.9	Very low	54.6	Low	100 Å²	100	99.4 Å²	99.4	70%	0.699	57%	0.57	S	S	*	*			trans	-92.8	137.6	-179.7	-161.3	0	0	0	0	111.7
58	M	44.7	Very low	57.1	Low	147 Å²	147	96.6 Å²	96.6	72%	0.724	56%	0.557	S	S	*	*			trans	-68.3	146.5	154.2	-61.9	-73.4	89.9	0	0	108.6
59	H	60.9	Low	59.2	Low	165 Å²	165	99.2 Å²	99.2	76%	0.764	57%	0.566	S	S	*	*			trans	-88.3	111.3	177.7	-78	-83.4	0	0	0	110	A78	H59-A78 VanDerWaalsContact O-CB 3.27Å; H59-A78 WeakPolarHBondContact O-CB 3.23Å; H59-A78 PolarHBondContact O-N 3.48Å
60	G	70.9	Confident	61.5	Low	25 Å²	25	92 Å²	92	26%	0.258	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.1	169.4	0	0	0	0	0	109.8	I76	G60-I76 CarbonylContact C-O 3.59Å; G60-I76 WeakPolarHBondContact CA-O 3.37Å
61	V	82.6	Confident	64.4	Low	26 Å²	26	93.1 Å²	93.1	16%	0.158	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.1	179.6	-177	0	0	0	0	108.5	F63 T75 I76 L81 I132	V61-F63 HydrophobicContact CG1-CD1 4.33Å; V61-T75 WeakPolarHBondContact O-CA 3.24Å; V61-I76 PolarHBondContact N-O 3Å; V61-I76 PolarHBondContact O-N 3.1Å; V61-L81 HydrophobicContact CB-CD2 4.3Å; V61-L81 HydrophobicContact CG2-CD2 3.79Å; V61-I132 HydrophobicContact CG1-CG2 4.44Å
62	S	86.6	Confident	66.5	Low	32 Å²	32	89.1 Å²	89.1	22%	0.224	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.5	178	-59.3	0	0	0	0	110.7	V74 T75 E134 G135	S62-V74 CarbonylContact C-O 3.54Å; S62-V74 VanDerWaalsContact CA-O 3.3Å; S62-V74 WeakPolarHBondContact CA-O 3.32Å; S62-T75 WeakPolarHBondContact OG-CG2 3.34Å; S62-T75 PolarHBondContact OG-OG1 3.5Å; S62-E134 CarbonylContact O-C 3.37Å; S62-E134 WeakPolarHBondContact O-CA 3.47Å; S62-G135 PolarHBondContact O-N 3.47Å
63	F	90.3	Very high	69.1	Low	0 Å²	0	87 Å²	87	0%	0	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	163.5	-176.2	60.9	-84.9	0	0	0	110.8	V61 L65 V74 I76 V86 I132 D136 V138	V61-F63 HydrophobicContact CG1-CD1 4.33Å; F63-L65 HydrophobicContact CE2-CD1 4.3Å; F63-V74 HydrophobicContact CE1-CB 4.43Å; F63-V74 HydrophobicContact CE1-CG1 3.86Å; F63-V74 HydrophobicContact CE2-CB 4.24Å; F63-V74 HydrophobicContact CE2-CG1 4.17Å; F63-V74 HydrophobicContact CZ-CB 4.17Å; F63-V74 HydrophobicContact CZ-CG1 3.63Å; F63-V74 PolarHBondContact N-O 3.36Å; F63-V74 PolarHBondContact O-N 3.24Å; F63-I76 HydrophobicContact CE1-CD1 3.92Å; F63-I76 HydrophobicContact CE1-CG1 4.24Å; F63-I76 HydrophobicContact CZ-CD1 3.96Å; F63-V86 HydrophobicContact CE2-CG1 4.41Å; F63-V86 HydrophobicContact CZ-CG1 4.12Å; F63-V86 HydrophobicContact CZ-CG2 4.4Å; F63-I132 HydrophobicContact CB-CG2 4.09Å; F63-I132 HydrophobicContact CD1-CG2 3.68Å; F63-I132 HydrophobicContact CD2-CG2 4.17Å; F63-I132 HydrophobicContact CE1-CG2 4.07Å; F63-I132 HydrophobicContact CG-CG2 3.73Å; F63-I132 HydrophobicContact CZ-CG2 4.47Å; F63-D136 HydrophobicContact CB-CB 4.32Å; F63-D136 WeakPolarHBondContact CB-O 3.49Å; F63-V138 HydrophobicContact CD2-CB 4.05Å; F63-V138 HydrophobicContact CD2-CG2 3.7Å; F63-V138 HydrophobicContact CE2-CB 4.3Å; F63-V138 HydrophobicContact CE2-CG2 4.18Å; F63-V138 HydrophobicContact CG-CG2 4.46Å
64	L	89.9	Confident	71.5	Confident	60 Å²	60	79.5 Å²	79.5	31%	0.314	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.5	174.2	-83.7	78.5	0	0	0	110.1	D136 L137 V138	L64-D136 PolarHBondContact N-O 3.32Å; L64-L137 HydrophobicContact CB-CD1 3.74Å; L64-V138 PolarHBondContact O-N 2.89Å
65	L	90.2	Very high	74.1	Confident	3 Å²	3	78 Å²	78	2%	0.016	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.5	172.6	-167.5	74.2	0	0	0	109.8	F63 I67 R71 E72 V74 V90 I93 V138 V140	F63-L65 HydrophobicContact CE2-CD1 4.3Å; L65-I67 HydrophobicContact CD2-CD1 3.96Å; L65-I67 HydrophobicContact CD2-CG1 4.31Å; L65-I67 HydrophobicContact CG-CD1 4.5Å; L65-I67 HydrophobicContact CG-CG1 4.31Å; L65-R71 CarbonylContact O-C 3.55Å; L65-R71 WeakPolarHBondContact O-CA 3.2Å; L65-E72 PolarHBondContact N-O 2.83Å; L65-E72 PolarHBondContact O-N 3.38Å; L65-V74 HydrophobicContact CB-CG2 3.94Å; L65-V74 HydrophobicContact CD2-CG2 4.33Å; L65-V90 HydrophobicContact CD1-CG2 3.86Å; L65-V90 HydrophobicContact CD2-CG2 3.77Å; L65-V90 HydrophobicContact CG-CG2 4.4Å; L65-I93 HydrophobicContact CD2-CD1 3.8Å; L65-V138 CarbonylContact C-O 3.17Å; L65-V138 WeakPolarHBondContact CA-O 3.4Å; L65-V138 HydrophobicContact CD1-CB 4.4Å; L65-V138 HydrophobicContact CD1-CG1 4.16Å; L65-V140 HydrophobicContact CD1-CG2 3.57Å; L65-V140 HydrophobicContact CD2-CG2 4.33Å; L65-V140 HydrophobicContact CG-CG2 3.87Å
66	Q	87.2	Confident	76.2	Confident	23 Å²	23	66.4 Å²	66.4	11%	0.107	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.3	175.2	179.8	165.2	-66.3	0	0	111	G68 T70 R71 L137 V138 E139 V140	Q66-G68 VanDerWaalsContact CG-O 3.27Å; Q66-G68 WeakPolarHBondContact CG-O 3.42Å; Q66-T70 CarbonylContact C-O 3.1Å; Q66-T70 WeakPolarHBondContact CA-O 3.48Å; Q66-R71 HydrophobicContact CB-CG 4.28Å; Q66-R71 HydrophobicContact CG-CG 4.36Å; Q66-L137 HydrophobicContact CB-CD1 4.05Å; Q66-V138 PolarHBondContact N-O 3.12Å; Q66-E139 HydrophobicContact CB-CB 4.37Å; Q66-E139 HydrophobicContact CB-CG 4.47Å; Q66-E139 HydrophobicContact CG-CG 4.42Å; Q66-E139 PolarHBondContact NE2-OE1 2.87Å; Q66-V140 WeakPolarHBondContact O-CB 3.21Å; Q66-V140 PolarHBondContact O-N 2.9Å
67	I	84.4	Confident	78.3	Confident	27 Å²	27	67.2 Å²	67.2	14%	0.138	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	93.9	178.3	-49.8	-175.8	0	0	0	107.4	L65 L69 T70 I93 V94 F98 V140	L65-I67 HydrophobicContact CD2-CD1 3.96Å; L65-I67 HydrophobicContact CD2-CG1 4.31Å; L65-I67 HydrophobicContact CG-CD1 4.5Å; L65-I67 HydrophobicContact CG-CG1 4.31Å; I67-L69 PolarHBondContact O-N 2.93Å; I67-T70 PolarHBondContact N-O 2.82Å; I67-T70 WeakPolarHBondContact O-CB 3.37Å; I67-T70 PolarHBondContact O-N 3.35Å; I67-I93 HydrophobicContact CD1-CG2 3.95Å; I67-V94 HydrophobicContact CD1-CG2 3.76Å; I67-V94 HydrophobicContact CG2-CG2 4.25Å; I67-F98 HydrophobicContact CG2-CE2 4.43Å; I67-V140 HydrophobicContact CD1-CG2 4.46Å; I67-V140 HydrophobicContact CG1-CB 4.14Å; I67-V140 HydrophobicContact CG1-CG2 3.89Å
68	G	79.6	Confident	79.6	Confident	49 Å²	49	65.1 Å²	65.1	51%	0.505	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-123.9	-167.4	0	0	0	0	0	110.9	Q66 T70	Q66-G68 VanDerWaalsContact CG-O 3.27Å; Q66-G68 WeakPolarHBondContact CG-O 3.42Å; G68-T70 VanDerWaalsContact C-N 3.31Å; G68-T70 PolarHBondContact O-N 3.29Å
69	L	73	Confident	80.6	Confident	184 Å²	184	66 Å²	66	96%	0.963	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-5	177.3	-58	-179.9	0	0	0	114.1	I67	I67-L69 PolarHBondContact O-N 2.93Å
70	T	74.1	Confident	80.9	Confident	38 Å²	38	63 Å²	63	23%	0.233	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138	-179.7	-56.6	0	0	0	0	110.5	Q66 I67 G68 K97	Q66-T70 CarbonylContact C-O 3.1Å; Q66-T70 WeakPolarHBondContact CA-O 3.48Å; I67-T70 PolarHBondContact N-O 2.82Å; I67-T70 WeakPolarHBondContact O-CB 3.37Å; I67-T70 PolarHBondContact O-N 3.35Å; G68-T70 VanDerWaalsContact C-N 3.31Å; G68-T70 PolarHBondContact O-N 3.29Å; T70-K97 HydrophobicContact CG2-CD 3.98Å; T70-K97 VanDerWaalsContact CG2-NZ 3.27Å
71	R	85.9	Confident	81.2	Confident	144 Å²	144	63.7 Å²	63.7	54%	0.543	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.3	168.7	-68.1	179.3	177.5	175.7	-3.3	110.2	L65 Q66	L65-R71 CarbonylContact O-C 3.55Å; L65-R71 WeakPolarHBondContact O-CA 3.2Å; Q66-R71 HydrophobicContact CB-CG 4.28Å; Q66-R71 HydrophobicContact CG-CG 4.36Å
72	E	82.7	Confident	81.2	Confident	74 Å²	74	64.6 Å²	64.6	35%	0.346	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.9	173.8	-78.3	-60	151.4	0	0	110.1	L65 I93 K97	L65-E72 PolarHBondContact N-O 2.83Å; L65-E72 PolarHBondContact O-N 3.38Å; E72-I93 HydrophobicContact CG-CG2 4.36Å; E72-K97 WeakPolarHBondContact OE1-CE 3.48Å; E72-K97 IonicContact OE1-NZ 2.75Å; E72-K97 PolarHBondContact OE1-NZ 2.82Å
73	T	87.8	Confident	81	Confident	101 Å²	101	65.4 Å²	65.4	62%	0.62	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.8	172.9	-55.1	0	0	0	0	108.9
74	V	85.5	Confident	80.6	Confident	9 Å²	9	68 Å²	68	6%	0.055	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.4	-176.1	168.8	0	0	0	0	109.1	S62 F63 L65 I76 L89 I93	S62-V74 CarbonylContact C-O 3.54Å; S62-V74 VanDerWaalsContact CA-O 3.3Å; S62-V74 WeakPolarHBondContact CA-O 3.32Å; F63-V74 HydrophobicContact CE1-CB 4.43Å; F63-V74 HydrophobicContact CE1-CG1 3.86Å; F63-V74 HydrophobicContact CE2-CB 4.24Å; F63-V74 HydrophobicContact CE2-CG1 4.17Å; F63-V74 HydrophobicContact CZ-CB 4.17Å; F63-V74 HydrophobicContact CZ-CG1 3.63Å; F63-V74 PolarHBondContact N-O 3.36Å; F63-V74 PolarHBondContact O-N 3.24Å; L65-V74 HydrophobicContact CB-CG2 3.94Å; L65-V74 HydrophobicContact CD2-CG2 4.33Å; V74-I76 HydrophobicContact CG1-CD1 4.15Å; V74-I76 HydrophobicContact CG1-CG1 3.88Å; V74-L89 HydrophobicContact CG1-CD2 3.5Å; V74-I93 HydrophobicContact CG2-CD1 3.84Å
75	T	85.3	Confident	80.2	Confident	91 Å²	91	66.7 Å²	66.7	56%	0.558	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.8	171.1	-57.9	0	0	0	0	108.7	V61 S62	V61-T75 WeakPolarHBondContact O-CA 3.24Å; S62-T75 WeakPolarHBondContact OG-CG2 3.34Å; S62-T75 PolarHBondContact OG-OG1 3.5Å
76	I	82.4	Confident	79.9	Confident	16 Å²	16	66.6 Å²	66.6	8%	0.082	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.5	176.1	-56.6	177.1	0	0	0	107.8	G60 V61 F63 V74 D80 L81 V86 L89	G60-I76 CarbonylContact C-O 3.59Å; G60-I76 WeakPolarHBondContact CA-O 3.37Å; V61-I76 PolarHBondContact N-O 3Å; V61-I76 PolarHBondContact O-N 3.1Å; F63-I76 HydrophobicContact CE1-CD1 3.92Å; F63-I76 HydrophobicContact CE1-CG1 4.24Å; F63-I76 HydrophobicContact CZ-CD1 3.96Å; V74-I76 HydrophobicContact CG1-CD1 4.15Å; V74-I76 HydrophobicContact CG1-CG1 3.88Å; I76-D80 HydrophobicContact CG2-CB 4.31Å; I76-L81 HydrophobicContact CB-CD1 4.15Å; I76-L81 HydrophobicContact CD1-CD1 4.22Å; I76-L81 HydrophobicContact CG2-CB 4.41Å; I76-L81 HydrophobicContact CG2-CD1 4.17Å; I76-V86 HydrophobicContact CD1-CG2 3.81Å; I76-L89 HydrophobicContact CD1-CD2 4.03Å; I76-L89 HydrophobicContact CG1-CD2 4.03Å
77	E	79.9	Confident	79.8	Confident	98 Å²	98	67 Å²	67	46%	0.458	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	140.2	174.8	-65.8	-163.8	-162.9	0	0	110.4	Q79 D80 L81	E77-Q79 PolarHBondContact O-N 3.04Å; E77-Q79 PolarHBondContact OE2-NE2 3.25Å; E77-D80 PolarHBondContact O-N 2.83Å; E77-L81 PolarHBondContact O-N 2.7Å
78	A	67.4	Low	79.6	Confident	56 Å²	56	69.9 Å²	69.9	46%	0.463	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-7.8	-175.4	0	0	0	0	0	114	H59	H59-A78 VanDerWaalsContact O-CB 3.27Å; H59-A78 WeakPolarHBondContact O-CB 3.23Å; H59-A78 PolarHBondContact O-N 3.48Å
79	Q	66.1	Low	79.8	Confident	164 Å²	164	70.2 Å²	70.2	77%	0.766	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-27.4	175.3	-57	179	104.3	0	0	112.6	E77	E77-Q79 PolarHBondContact O-N 3.04Å; E77-Q79 PolarHBondContact OE2-NE2 3.25Å
80	D	67.6	Low	80.3	Confident	103 Å²	103	61.5 Å²	61.5	55%	0.551	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-1.1	-175.1	-64.9	-48.6	0	0	0	113.2	I76 E77 S82 A85	I76-D80 HydrophobicContact CG2-CB 4.31Å; E77-D80 PolarHBondContact O-N 2.83Å; D80-S82 PolarHBondContact O-N 2.76Å; D80-S82 PolarHBondContact O-OG 3.09Å; D80-A85 WeakPolarHBondContact O-CB 3.27Å
81	L	76.5	Confident	80.5	Confident	40 Å²	40	61.4 Å²	61.4	21%	0.209	33%	0.334	C	S	.	.			trans	-68.5	85.9	-173.1	-171.6	69.3	0	0	0	112.1	V61 I76 E77 V86 A129	V61-L81 HydrophobicContact CB-CD2 4.3Å; V61-L81 HydrophobicContact CG2-CD2 3.79Å; I76-L81 HydrophobicContact CB-CD1 4.15Å; I76-L81 HydrophobicContact CD1-CD1 4.22Å; I76-L81 HydrophobicContact CG2-CB 4.41Å; I76-L81 HydrophobicContact CG2-CD1 4.17Å; E77-L81 PolarHBondContact O-N 2.7Å; L81-V86 HydrophobicContact CD1-CG2 4.45Å; L81-A129 HydrophobicContact CG-CB 4.17Å; L81-A129 WeakPolarHBondContact O-CB 3.29Å
82	S	83.4	Confident	80.2	Confident	45 Å²	45	57.7 Å²	57.7	32%	0.315	33%	0.331	S	S	.	.			trans	-124.4	149.9	175.6	63.5	0	0	0	0	110.8	D80 S84 A85 V86	D80-S82 PolarHBondContact O-N 2.76Å; D80-S82 PolarHBondContact O-OG 3.09Å; S82-S84 WeakPolarHBondContact CB-OG 3.28Å; S82-S84 PolarHBondContact O-N 3.22Å; S82-S84 PolarHBondContact OG-OG 2.87Å; S82-A85 PolarHBondContact O-N 3.37Å; S82-A85 VanDerWaalsContact OG-CB 3.27Å; S82-A85 WeakPolarHBondContact OG-CB 3.45Å; S82-A85 PolarHBondContact OG-N 2.91Å; S82-A85 VanDerWaalsContact OG-N 3.13Å; S82-V86 WeakPolarHBondContact O-CG2 3.12Å; S82-V86 PolarHBondContact O-N 3.24Å
83	L	82.1	Confident	80	Confident	48 Å²	48	55.2 Å²	55.2	25%	0.251	32%	0.32	S	S	.	.	H	α-helix	trans	-61.5	-31.7	-178.7	-167.8	72.3	0	0	0	111.2	K87 L112 I126	L83-K87 WeakPolarHBondContact O-CG 3.38Å; L83-K87 PolarHBondContact O-N 3.32Å; L83-L112 HydrophobicContact CD1-CD1 3.95Å; L83-I126 HydrophobicContact CD1-CG2 3.71Å
84	S	81.1	Confident	79.4	Confident	56 Å²	56	51 Å²	51	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-56	-58	166.1	30.3	0	0	0	0	112.2	S82 V86 K87 D88 Y107	S82-S84 WeakPolarHBondContact CB-OG 3.28Å; S82-S84 PolarHBondContact O-N 3.22Å; S82-S84 PolarHBondContact OG-OG 2.87Å; S84-V86 VanDerWaalsContact C-N 3.29Å; S84-V86 PolarHBondContact O-N 3.46Å; S84-K87 CarbonylContact O-C 3.58Å; S84-K87 WeakPolarHBondContact O-CA 3.37Å; S84-K87 WeakPolarHBondContact O-CB 3.41Å; S84-K87 PolarHBondContact O-N 2.79Å; S84-D88 PolarHBondContact O-N 3.36Å; S84-Y107 WeakPolarHBondContact CA-OH 3.38Å; S84-Y107 WeakPolarHBondContact CB-OH 3.25Å; S84-Y107 PolarHBondContact O-OH 3.11Å
85	A	81.8	Confident	78.5	Confident	31 Å²	31	58.2 Å²	58.2	26%	0.256	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-36.9	-179.7	0	0	0	0	0	112.8	D80 S82 D88 L89	D80-A85 WeakPolarHBondContact O-CB 3.27Å; S82-A85 PolarHBondContact O-N 3.37Å; S82-A85 VanDerWaalsContact OG-CB 3.27Å; S82-A85 WeakPolarHBondContact OG-CB 3.45Å; S82-A85 PolarHBondContact OG-N 2.91Å; S82-A85 VanDerWaalsContact OG-N 3.13Å; A85-D88 PolarHBondContact O-N 2.9Å; A85-L89 VanDerWaalsContact O-CB 3.23Å; A85-L89 WeakPolarHBondContact O-CB 3.49Å; A85-L89 PolarHBondContact O-N 3.36Å
86	V	83.8	Confident	77.7	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-44.4	172.8	-175	0	0	0	0	110.8	F63 I76 L81 S82 S84 L89 V90 L112 I132	F63-V86 HydrophobicContact CE2-CG1 4.41Å; F63-V86 HydrophobicContact CZ-CG1 4.12Å; F63-V86 HydrophobicContact CZ-CG2 4.4Å; I76-V86 HydrophobicContact CD1-CG2 3.81Å; L81-V86 HydrophobicContact CD1-CG2 4.45Å; S82-V86 WeakPolarHBondContact O-CG2 3.12Å; S82-V86 PolarHBondContact O-N 3.24Å; S84-V86 VanDerWaalsContact C-N 3.29Å; S84-V86 PolarHBondContact O-N 3.46Å; V86-L89 PolarHBondContact O-N 2.92Å; V86-V90 WeakPolarHBondContact O-CG2 3.47Å; V86-V90 PolarHBondContact O-N 2.86Å; V86-L112 HydrophobicContact CB-CD1 4.21Å; V86-L112 HydrophobicContact CG1-CD1 3.64Å; V86-I132 HydrophobicContact CG1-CD1 4.45Å; V86-I132 HydrophobicContact CG2-CD1 4.08Å
87	K	85	Confident	76.9	Confident	30 Å²	30	64.6 Å²	64.6	13%	0.13	34%	0.343	C	S	.	.	H	α-helix	trans	-65.6	-40.8	176.2	-78.3	-177	163.7	-150.4	0	113.5	L83 S84 L89 V90 C91 Y107 I110 L112	L83-K87 WeakPolarHBondContact O-CG 3.38Å; L83-K87 PolarHBondContact O-N 3.32Å; S84-K87 CarbonylContact O-C 3.58Å; S84-K87 WeakPolarHBondContact O-CA 3.37Å; S84-K87 WeakPolarHBondContact O-CB 3.41Å; S84-K87 PolarHBondContact O-N 2.79Å; K87-L89 VanDerWaalsContact C-N 3.32Å; K87-V90 WeakPolarHBondContact O-CB 3.48Å; K87-V90 PolarHBondContact O-N 3.41Å; K87-C91 PolarHBondContact O-N 3.14Å; K87-C91 PolarHBondContact O-SG 2.9Å; K87-C91 VanDerWaalsContact O-SG 3.36Å; K87-Y107 HydrophobicContact CB-CD2 3.93Å; K87-Y107 HydrophobicContact CB-CE2 3.53Å; K87-Y107 PolarHBondContact NZ-O 2.88Å; K87-I110 WeakPolarHBondContact CE-O 3.26Å; K87-I110 HydrophobicContact CG-CG2 4.29Å; K87-I110 PolarHBondContact NZ-O 3.49Å; K87-L112 HydrophobicContact CG-CD1 4.4Å
88	D	81.6	Confident	76.3	Confident	88 Å²	88	63 Å²	63	47%	0.471	33%	0.334	S	S	.	.	H	α-helix	trans	-64	-39.7	175.7	-76.3	-64.1	0	0	0	111.1	S84 A85 C91 S92 Y107	S84-D88 PolarHBondContact O-N 3.36Å; A85-D88 PolarHBondContact O-N 2.9Å; D88-C91 PolarHBondContact O-N 3.06Å; D88-S92 WeakPolarHBondContact O-CB 3.45Å; D88-S92 PolarHBondContact O-N 3.18Å; D88-Y107 HydrophobicContact CB-CE2 4.38Å; D88-Y107 VanDerWaalsContact CG-CE2 3.42Å; D88-Y107 WeakPolarHBondContact OD1-CE2 3.31Å; D88-Y107 VanDerWaalsContact OD2-CE2 3.31Å; D88-Y107 WeakPolarHBondContact OD2-CE2 3.3Å; D88-Y107 PolarHBondContact OD2-OH 3.43Å
89	L	83	Confident	75.8	Confident	57 Å²	57	64 Å²	64	30%	0.298	34%	0.336	S	S	.	.	H	α-helix	trans	-68.3	-38.6	174.7	-174.7	52.3	0	0	0	112.3	V74 I76 A85 V86 K87 S92 I93	V74-L89 HydrophobicContact CG1-CD2 3.5Å; I76-L89 HydrophobicContact CD1-CD2 4.03Å; I76-L89 HydrophobicContact CG1-CD2 4.03Å; A85-L89 VanDerWaalsContact O-CB 3.23Å; A85-L89 WeakPolarHBondContact O-CB 3.49Å; A85-L89 PolarHBondContact O-N 3.36Å; V86-L89 PolarHBondContact O-N 2.92Å; K87-L89 VanDerWaalsContact C-N 3.32Å; L89-S92 PolarHBondContact O-N 3.18Å; L89-I93 HydrophobicContact CD1-CD1 4.07Å; L89-I93 HydrophobicContact CD1-CG1 4.22Å; L89-I93 HydrophobicContact CG-CD1 3.97Å; L89-I93 WeakPolarHBondContact O-CB 3.47Å; L89-I93 VanDerWaalsContact O-CG1 3.27Å; L89-I93 WeakPolarHBondContact O-CG1 3.49Å; L89-I93 PolarHBondContact O-N 3.22Å
90	V	83.3	Confident	74.9	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-57.4	-52.1	169.4	170	0	0	0	0	110.4	L65 V86 K87 S92 I93 V94 I110 L112 V140	L65-V90 HydrophobicContact CD1-CG2 3.86Å; L65-V90 HydrophobicContact CD2-CG2 3.77Å; L65-V90 HydrophobicContact CG-CG2 4.4Å; V86-V90 WeakPolarHBondContact O-CG2 3.47Å; V86-V90 PolarHBondContact O-N 2.86Å; K87-V90 WeakPolarHBondContact O-CB 3.48Å; K87-V90 PolarHBondContact O-N 3.41Å; V90-S92 VanDerWaalsContact C-N 3.28Å; V90-S92 PolarHBondContact O-N 3.12Å; V90-I93 PolarHBondContact O-N 3.48Å; V90-V94 HydrophobicContact CG1-CG2 4.29Å; V90-V94 WeakPolarHBondContact O-CB 3.47Å; V90-V94 VanDerWaalsContact O-CG2 3.23Å; V90-V94 WeakPolarHBondContact O-CG2 3.29Å; V90-V94 PolarHBondContact O-N 2.98Å; V90-I110 HydrophobicContact CG1-CD1 4.08Å; V90-I110 HydrophobicContact CG1-CG2 4.37Å; V90-L112 HydrophobicContact CG2-CD2 4.15Å; V90-V140 HydrophobicContact CG1-CB 4.45Å; V90-V140 HydrophobicContact CG1-CG1 3.63Å; V90-V140 HydrophobicContact CG1-CG2 3.94Å; V90-V140 HydrophobicContact CG2-CG2 3.88Å
91	C	78.9	Confident	74.3	Confident	35 Å²	35	60.6 Å²	60.6	24%	0.236	32%	0.322	C	S	.	.	H	α-helix	trans	-56.8	-41.7	177.2	-72.6	0	0	0	0	112.2	K87 D88 Y95 I110	K87-C91 PolarHBondContact O-N 3.14Å; K87-C91 PolarHBondContact O-SG 2.9Å; K87-C91 VanDerWaalsContact O-SG 3.36Å; D88-C91 PolarHBondContact O-N 3.06Å; C91-Y95 VanDerWaalsContact O-CB 3.32Å; C91-Y95 WeakPolarHBondContact O-CB 3.39Å; C91-Y95 PolarHBondContact O-N 3.42Å; C91-I110 VanDerWaalsContact SG-CD1 3.53Å
92	S	78.5	Confident	73.1	Confident	67 Å²	67	60.7 Å²	60.7	47%	0.469	33%	0.333	S	S	.	.	H	α-helix	trans	-64.3	-48.5	177.4	-171.7	0	0	0	0	112.4	D88 L89 V90 V94 Y95 Q96	D88-S92 WeakPolarHBondContact O-CB 3.45Å; D88-S92 PolarHBondContact O-N 3.18Å; L89-S92 PolarHBondContact O-N 3.18Å; V90-S92 VanDerWaalsContact C-N 3.28Å; V90-S92 PolarHBondContact O-N 3.12Å; S92-V94 VanDerWaalsContact C-N 3.35Å; S92-V94 PolarHBondContact O-N 2.99Å; S92-Y95 PolarHBondContact O-N 2.67Å; S92-Q96 WeakPolarHBondContact O-CB 3.48Å; S92-Q96 PolarHBondContact O-N 3.13Å
93	I	79.6	Confident	71.9	Confident	22 Å²	22	61.4 Å²	61.4	11%	0.113	33%	0.33	C	S	.	.	H	α-helix	trans	-61.7	-43.4	177	-69.6	165.4	0	0	0	110.6	L65 I67 E72 V74 L89 V90 Q96 K97	L65-I93 HydrophobicContact CD2-CD1 3.8Å; I67-I93 HydrophobicContact CD1-CG2 3.95Å; E72-I93 HydrophobicContact CG-CG2 4.36Å; V74-I93 HydrophobicContact CG2-CD1 3.84Å; L89-I93 HydrophobicContact CD1-CD1 4.07Å; L89-I93 HydrophobicContact CD1-CG1 4.22Å; L89-I93 HydrophobicContact CG-CD1 3.97Å; L89-I93 WeakPolarHBondContact O-CB 3.47Å; L89-I93 VanDerWaalsContact O-CG1 3.27Å; L89-I93 WeakPolarHBondContact O-CG1 3.49Å; L89-I93 PolarHBondContact O-N 3.22Å; V90-I93 PolarHBondContact O-N 3.48Å; I93-Q96 PolarHBondContact O-N 2.9Å; I93-K97 WeakPolarHBondContact O-CB 3.3Å; I93-K97 WeakPolarHBondContact O-CG 3.5Å; I93-K97 PolarHBondContact O-N 2.86Å
94	V	73.9	Confident	70.4	Confident	13 Å²	13	67.4 Å²	67.4	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-47.9	176.7	170.1	0	0	0	0	110.9	I67 V90 S92 Q96 K97 F98 F103	I67-V94 HydrophobicContact CD1-CG2 3.76Å; I67-V94 HydrophobicContact CG2-CG2 4.25Å; V90-V94 HydrophobicContact CG1-CG2 4.29Å; V90-V94 WeakPolarHBondContact O-CB 3.47Å; V90-V94 VanDerWaalsContact O-CG2 3.23Å; V90-V94 WeakPolarHBondContact O-CG2 3.29Å; V90-V94 PolarHBondContact O-N 2.98Å; S92-V94 VanDerWaalsContact C-N 3.35Å; S92-V94 PolarHBondContact O-N 2.99Å; V94-Q96 VanDerWaalsContact C-N 3.31Å; V94-Q96 PolarHBondContact O-N 2.66Å; V94-K97 PolarHBondContact O-N 2.72Å; V94-F98 HydrophobicContact CG1-CD2 4.26Å; V94-F98 PolarHBondContact O-N 2.79Å; V94-F103 HydrophobicContact CG1-CD2 3.24Å; V94-F103 HydrophobicContact CG1-CE2 3.17Å; V94-F103 HydrophobicContact CG1-CG 4.03Å; V94-F103 HydrophobicContact CG1-CZ 3.93Å
95	Y	67.8	Low	69.3	Low	160 Å²	160	67.5 Å²	67.5	63%	0.627	37%	0.365	S	S	*	.	H	α-helix	trans	-64	-35.1	177.8	-176.4	-96.7	0	0	0	112.7	C91 S92	C91-Y95 VanDerWaalsContact O-CB 3.32Å; C91-Y95 WeakPolarHBondContact O-CB 3.39Å; C91-Y95 PolarHBondContact O-N 3.42Å; S92-Y95 PolarHBondContact O-N 2.67Å
96	Q	67.2	Low	68.4	Low	157 Å²	157	66.1 Å²	66.1	73%	0.734	35%	0.353	S	S	*	.	H	α-helix	trans	-72	-31.9	176.2	-175.1	177.2	-6.6	0	0	112.9	S92 I93 V94	S92-Q96 WeakPolarHBondContact O-CB 3.48Å; S92-Q96 PolarHBondContact O-N 3.13Å; I93-Q96 PolarHBondContact O-N 2.9Å; V94-Q96 VanDerWaalsContact C-N 3.31Å; V94-Q96 PolarHBondContact O-N 2.66Å
97	K	66.8	Low	67.5	Low	83 Å²	83	69.3 Å²	69.3	36%	0.361	37%	0.365	S	S	.	.	H	α-helix	trans	-94.1	-28.1	-177.6	-74.3	-146.7	173.7	-163.9	0	115.3	T70 E72 I93 V94 P99	T70-K97 HydrophobicContact CG2-CD 3.98Å; T70-K97 VanDerWaalsContact CG2-NZ 3.27Å; E72-K97 WeakPolarHBondContact OE1-CE 3.48Å; E72-K97 IonicContact OE1-NZ 2.75Å; E72-K97 PolarHBondContact OE1-NZ 2.82Å; I93-K97 WeakPolarHBondContact O-CB 3.3Å; I93-K97 WeakPolarHBondContact O-CG 3.5Å; I93-K97 PolarHBondContact O-N 2.86Å; V94-K97 PolarHBondContact O-N 2.72Å; K97-P99 VanDerWaalsContact C-CD 3.46Å
98	F	66.7	Low	66.7	Low	64 Å²	64	74.2 Å²	74.2	28%	0.281	39%	0.393	S	S	.	.			trans	-133.1	55.8	-174.4	-48.5	-71.3	0	0	0	110.9	I67 V94 E100 C101	I67-F98 HydrophobicContact CG2-CE2 4.43Å; V94-F98 HydrophobicContact CG1-CD2 4.26Å; V94-F98 PolarHBondContact O-N 2.79Å; F98-E100 PolarHBondContact O-N 2.98Å; F98-E100 VanDerWaalsContact O-N 3.17Å; F98-C101 HydrophobicContact CB-CB 4.42Å; F98-C101 WeakPolarHBondContact O-CB 3.39Å; F98-C101 PolarHBondContact O-N 3.14Å
99	P	57.3	Low	66.3	Low	78 Å²	78	72.3 Å²	72.3	51%	0.506	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.7	-172.1	27.6	-36.4	0	0	0	114.1	K97 C101	K97-P99 VanDerWaalsContact C-CD 3.46Å; P99-C101 PolarHBondContact O-N 2.94Å
100	E	47.8	Very low	66.3	Low	146 Å²	146	70 Å²	70	68%	0.682	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.8	169.2	56.2	-78.1	172.8	0	0	113.9	F98	F98-E100 PolarHBondContact O-N 2.98Å; F98-E100 VanDerWaalsContact O-N 3.17Å
101	C	54.5	Low	66.4	Low	49 Å²	49	71.6 Å²	71.6	33%	0.331	38%	0.377	S	S	.	.	S	Bend	trans	-98.7	100.8	177.2	-65	0	0	0	0	110.6	F98 P99 F103	F98-C101 HydrophobicContact CB-CB 4.42Å; F98-C101 WeakPolarHBondContact O-CB 3.39Å; F98-C101 PolarHBondContact O-N 3.14Å; P99-C101 PolarHBondContact O-N 2.94Å; C101-F103 HydrophobicContact CB-CD2 3.82Å; C101-F103 HydrophobicContact CB-CE2 3.25Å; C101-F103 HydrophobicContact CB-CZ 3.88Å; C101-F103 WeakPolarHBondContact O-CD2 3.48Å; C101-F103 PolarHBondContact O-N 3.23Å
102	G	51.8	Low	66.9	Low	42 Å²	42	70.2 Å²	70.2	43%	0.433	37%	0.367	S	S	.	.			trans	-74.2	74.6	-178.2	0	0	0	0	0	114.6	F104	G102-F104 VanDerWaalsContact C-N 3.32Å; G102-F104 PolarHBondContact O-N 2.69Å
103	F	57.1	Low	67.5	Low	60 Å²	60	68.9 Å²	68.9	26%	0.263	35%	0.353	S	S	.	.			trans	-71.4	73.7	179.3	-65.3	-84.2	0	0	0	113.6	V94 C101 M106 L142 F151	V94-F103 HydrophobicContact CG1-CD2 3.24Å; V94-F103 HydrophobicContact CG1-CE2 3.17Å; V94-F103 HydrophobicContact CG1-CG 4.03Å; V94-F103 HydrophobicContact CG1-CZ 3.93Å; C101-F103 HydrophobicContact CB-CD2 3.82Å; C101-F103 HydrophobicContact CB-CE2 3.25Å; C101-F103 HydrophobicContact CB-CZ 3.88Å; C101-F103 WeakPolarHBondContact O-CD2 3.48Å; C101-F103 PolarHBondContact O-N 3.23Å; F103-M106 HydrophobicContact CB-CB 4.44Å; F103-M106 HydrophobicContact CB-CG 4.29Å; F103-M106 HydrophobicContact CD1-CB 4.45Å; F103-M106 HydrophobicContact CD1-CG 3.9Å; F103-M106 HydrophobicContact CD1-SD 3.96Å; F103-M106 HydrophobicContact CE1-SD 4.45Å; F103-L142 HydrophobicContact CE1-CD1 4.26Å; F103-F151 HydrophobicContact CD1-CE1 4.04Å; F103-F151 AromaticContact CE1-CE1 3.66Å; F103-F151 HydrophobicContact CE1-CE1 3.66Å; F103-F151 HydrophobicContact CE1-CZ 4.27Å; F103-F151 HydrophobicContact CZ-CE1 4.3Å
104	F	51.5	Low	68.1	Low	175 Å²	175	70.1 Å²	70.1	77%	0.768	36%	0.356	S	S	*	.			trans	-92.8	133.8	171.1	-120.5	-95.9	0	0	0	110.9	G102 M106	G102-F104 VanDerWaalsContact C-N 3.32Å; G102-F104 PolarHBondContact O-N 2.69Å; F104-M106 VanDerWaalsContact C-N 3.27Å; F104-M106 PolarHBondContact O-N 2.79Å
105	G	56.5	Low	68.8	Low	58 Å²	58	71.7 Å²	71.7	60%	0.598	36%	0.362	S	S	*	.	S	Bend	trans	75.3	3.6	177	0	0	0	0	0	116.3	Y107	G105-Y107 PolarHBondContact O-N 2.8Å
106	M	63.7	Low	69.6	Low	2 Å²	2	65.7 Å²	65.7	1%	0.01	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-74.2	-6.6	-178	-77.8	-104.7	165.1	0	0	115.2	F103 F104 D108 K109 I110 L142 A146 D150 F151	F103-M106 HydrophobicContact CB-CB 4.44Å; F103-M106 HydrophobicContact CB-CG 4.29Å; F103-M106 HydrophobicContact CD1-CB 4.45Å; F103-M106 HydrophobicContact CD1-CG 3.9Å; F103-M106 HydrophobicContact CD1-SD 3.96Å; F103-M106 HydrophobicContact CE1-SD 4.45Å; F104-M106 VanDerWaalsContact C-N 3.27Å; F104-M106 PolarHBondContact O-N 2.79Å; M106-D108 PolarHBondContact O-N 2.84Å; M106-K109 CarbonylContact O-C 3.56Å; M106-K109 WeakPolarHBondContact O-CA 3.19Å; M106-K109 PolarHBondContact O-N 3.14Å; M106-I110 PolarHBondContact O-N 3.37Å; M106-L142 HydrophobicContact SD-CD1 4.45Å; M106-L142 HydrophobicContact SD-CD2 3.96Å; M106-A146 HydrophobicContact CE-CB 3.97Å; M106-A146 HydrophobicContact SD-CB 4.41Å; M106-D150 HydrophobicContact CE-CB 3.48Å; M106-D150 VanDerWaalsContact CE-CB 3.48Å; M106-F151 HydrophobicContact CE-CD2 4.17Å; M106-F151 HydrophobicContact CE-CE1 4Å; M106-F151 HydrophobicContact CE-CE2 3.49Å; M106-F151 VanDerWaalsContact CE-CE2 3.49Å; M106-F151 HydrophobicContact CE-CZ 3.39Å; M106-F151 HydrophobicContact SD-CZ 4.45Å
107	Y	65.6	Low	70.1	Confident	68 Å²	68	64.9 Å²	64.9	27%	0.267	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-52.2	-48.5	-173.9	-166.7	-107.1	0	0	0	113.8	S84 K87 D88 G105 K109	S84-Y107 WeakPolarHBondContact CA-OH 3.38Å; S84-Y107 WeakPolarHBondContact CB-OH 3.25Å; S84-Y107 PolarHBondContact O-OH 3.11Å; K87-Y107 HydrophobicContact CB-CD2 3.93Å; K87-Y107 HydrophobicContact CB-CE2 3.53Å; K87-Y107 PolarHBondContact NZ-O 2.88Å; D88-Y107 HydrophobicContact CB-CE2 4.38Å; D88-Y107 VanDerWaalsContact CG-CE2 3.42Å; D88-Y107 WeakPolarHBondContact OD1-CE2 3.31Å; D88-Y107 VanDerWaalsContact OD2-CE2 3.31Å; D88-Y107 WeakPolarHBondContact OD2-CE2 3.3Å; D88-Y107 PolarHBondContact OD2-OH 3.43Å; G105-Y107 PolarHBondContact O-N 2.8Å; Y107-K109 VanDerWaalsContact C-N 3.26Å; Y107-K109 PolarHBondContact O-N 3.18Å
108	D	67.4	Low	70.7	Confident	134 Å²	134	68.4 Å²	68.4	72%	0.717	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-75.1	-18.4	-179.8	-57.6	-45.8	0	0	0	112.7	M106	M106-D108 PolarHBondContact O-N 2.84Å
109	K	73.5	Confident	71.3	Confident	48 Å²	48	67.2 Å²	67.2	21%	0.209	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-92.5	-13.2	-178.7	-55	-170	-179.1	-168.8	0	113.1	M106 Y107 S143 L145 A146 D150	M106-K109 CarbonylContact O-C 3.56Å; M106-K109 WeakPolarHBondContact O-CA 3.19Å; M106-K109 PolarHBondContact O-N 3.14Å; Y107-K109 VanDerWaalsContact C-N 3.26Å; Y107-K109 PolarHBondContact O-N 3.18Å; K109-S143 WeakPolarHBondContact O-CB 3.45Å; K109-S143 PolarHBondContact O-N 2.85Å; K109-L145 WeakPolarHBondContact CE-O 3.45Å; K109-L145 PolarHBondContact NZ-O 3.17Å; K109-A146 HydrophobicContact CD-CB 4.21Å; K109-D150 IonicContact NZ-OD1 2.59Å; K109-D150 PolarHBondContact NZ-OD1 3.17Å; K109-D150 IonicContact NZ-OD2 3.61Å; K109-D150 PolarHBondContact NZ-OD2 2.95Å
110	I	81.9	Confident	72	Confident	8 Å²	8	71.7 Å²	71.7	4%	0.041	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.5	170	-70.3	162.5	0	0	0	110.1	K87 V90 C91 M106 L112 V140 L142	K87-I110 WeakPolarHBondContact CE-O 3.26Å; K87-I110 HydrophobicContact CG-CG2 4.29Å; K87-I110 PolarHBondContact NZ-O 3.49Å; V90-I110 HydrophobicContact CG1-CD1 4.08Å; V90-I110 HydrophobicContact CG1-CG2 4.37Å; C91-I110 VanDerWaalsContact SG-CD1 3.53Å; M106-I110 PolarHBondContact O-N 3.37Å; I110-L112 HydrophobicContact CG2-CD2 4.1Å; I110-L112 HydrophobicContact CG2-CG 4.49Å; I110-V140 HydrophobicContact CG2-CG1 4.12Å; I110-L142 HydrophobicContact CG1-CD2 3.99Å
111	L	87.4	Confident	73.4	Confident	35 Å²	35	70.7 Å²	70.7	18%	0.183	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.4	169.7	-57.2	176.9	0	0	0	109.1	F113 V141	L111-F113 HydrophobicContact CB-CD2 4.42Å; L111-F113 HydrophobicContact CB-CE2 3.74Å; L111-F113 HydrophobicContact CD1-CE2 4.36Å; L111-V141 WeakPolarHBondContact CB-O 3.2Å; L111-V141 PolarHBondContact N-O 2.8Å; L111-V141 PolarHBondContact O-N 3.21Å
112	L	89.3	Confident	74.8	Confident	5 Å²	5	72.3 Å²	72.3	3%	0.026	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136	179.8	-59.2	176.8	0	0	0	109.1	L83 V86 K87 V90 I110 I126 V138 E139 V140	L83-L112 HydrophobicContact CD1-CD1 3.95Å; V86-L112 HydrophobicContact CB-CD1 4.21Å; V86-L112 HydrophobicContact CG1-CD1 3.64Å; K87-L112 HydrophobicContact CG-CD1 4.4Å; V90-L112 HydrophobicContact CG2-CD2 4.15Å; I110-L112 HydrophobicContact CG2-CD2 4.1Å; I110-L112 HydrophobicContact CG2-CG 4.49Å; L112-I126 HydrophobicContact CB-CB 4.18Å; L112-I126 HydrophobicContact CB-CD1 4.03Å; L112-I126 PolarHBondContact O-N 2.91Å; L112-V138 HydrophobicContact CB-CG1 4.15Å; L112-V138 HydrophobicContact CD2-CG1 4.3Å; L112-E139 WeakPolarHBondContact CA-O 3.39Å; L112-V140 HydrophobicContact CD2-CG2 3.89Å
113	F	91.1	Very high	76.4	Confident	40 Å²	40	74.1 Å²	74.1	18%	0.175	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.1	-179.3	-69	-98.2	0	0	0	110.9	L111 L123 Q124 R125 V138 E139 V141	L111-F113 HydrophobicContact CB-CD2 4.42Å; L111-F113 HydrophobicContact CB-CE2 3.74Å; L111-F113 HydrophobicContact CD1-CE2 4.36Å; F113-L123 HydrophobicContact CB-CB 4.33Å; F113-L123 HydrophobicContact CB-CD2 4.29Å; F113-L123 HydrophobicContact CD1-CB 3.96Å; F113-L123 HydrophobicContact CG-CB 4.46Å; F113-Q124 CarbonylContact C-O 3.59Å; F113-Q124 VanDerWaalsContact CA-O 3.25Å; F113-Q124 WeakPolarHBondContact CA-O 3.5Å; F113-R125 HydrophobicContact CD1-CB 3.89Å; F113-R125 HydrophobicContact CE1-CB 3.64Å; F113-R125 HydrophobicContact CE1-CG 4.22Å; F113-R125 HydrophobicContact CZ-CB 4.28Å; F113-R125 HydrophobicContact CZ-CG 4.38Å; F113-V138 CarbonylContact O-C 3.56Å; F113-V138 WeakPolarHBondContact O-CA 3.47Å; F113-E139 PolarHBondContact N-O 3.02Å; F113-E139 PolarHBondContact O-N 3.44Å; F113-V141 HydrophobicContact CD2-CB 4.05Å; F113-V141 HydrophobicContact CD2-CG2 3.67Å; F113-V141 HydrophobicContact CE2-CB 3.89Å; F113-V141 HydrophobicContact CE2-CG1 4.42Å; F113-V141 HydrophobicContact CE2-CG2 3.93Å
114	R	91.9	Very high	77.8	Confident	47 Å²	47	73.6 Å²	73.6	18%	0.177	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.3	169.7	-174.5	178.8	69.2	179.4	13	109.5	D116 I122 Q124 I126 E131 H133 D136	R114-D116 PolarHBondContact O-N 2.91Å; R114-I122 VanDerWaalsContact O-O 3.13Å; R114-Q124 PolarHBondContact N-O 2.89Å; R114-Q124 PolarHBondContact O-N 2.99Å; R114-I126 HydrophobicContact CB-CD1 4.07Å; R114-I126 HydrophobicContact CB-CG1 4.04Å; R114-E131 PolarHBondContact NH1-O 2.81Å; R114-H133 PolarHBondContact NH1-ND1 3.48Å; R114-D136 WeakPolarHBondContact CD-OD2 3.27Å; R114-D136 HydrophobicContact CG-CB 4.39Å
115	H	88	Confident	79.6	Confident	47 Å²	47	72.3 Å²	72.3	22%	0.218	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	105.6	168.8	-74.2	-130.3	0	0	0	110	I122 L123 L137 E139	H115-I122 CarbonylContact C-O 3.54Å; H115-I122 VanDerWaalsContact CA-O 3.3Å; H115-I122 WeakPolarHBondContact CA-O 3.23Å; H115-L123 VanDerWaalsContact CD2-CD2 3.5Å; H115-L123 WeakPolarHBondContact CD2-CD2 3.31Å; H115-L123 VanDerWaalsContact NE2-CD2 3.27Å; H115-L123 WeakPolarHBondContact NE2-CD2 3.44Å; H115-L137 HydrophobicContact CB-CB 4.15Å; H115-L137 HydrophobicContact CB-CD2 4.39Å; H115-L137 HydrophobicContact CB-CG 4.46Å; H115-L137 PolarHBondContact N-O 3.11Å; H115-E139 IonicContact CD2-OE2 2.7Å; H115-E139 IonicContact CE1-OE2 2.88Å; H115-E139 PolarHBondContact CE1-OE2 3.12Å; H115-E139 IonicContact NE2-OE2 3.75Å; H115-E139 PolarHBondContact NE2-OE2 2.88Å
116	D	84.1	Confident	81.1	Confident	34 Å²	34	69.9 Å²	69.9	18%	0.182	35%	0.348	C	S	.	.			trans	-109.7	100.7	171.9	-178.8	3.7	0	0	0	110.5	R114 N118 S119 I122 Q124	R114-D116 PolarHBondContact O-N 2.91Å; D116-N118 PolarHBondContact O-N 2.7Å; D116-N118 VanDerWaalsContact O-N 3.16Å; D116-N118 WeakPolarHBondContact OD1-CB 3.4Å; D116-N118 PolarHBondContact OD1-N 2.68Å; D116-N118 PolarHBondContact OD1-ND2 3Å; D116-N118 VanDerWaalsContact OD1-ND2 3.13Å; D116-S119 PolarHBondContact O-N 2.84Å; D116-I122 PolarHBondContact N-O 3.21Å; D116-I122 WeakPolarHBondContact O-CA 3.44Å; D116-Q124 HydrophobicContact CB-CG 4.34Å; D116-Q124 PolarHBondContact OD2-NE2 3.13Å
117	L	78.3	Confident	82.1	Confident	140 Å²	140	74.5 Å²	74.5	73%	0.733	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.3	-178	-61.5	174.6	0	0	0	114.1	I122	L117-I122 HydrophobicContact CD2-CG2 4.01Å
118	N	79	Confident	82.9	Confident	157 Å²	157	73 Å²	73	84%	0.84	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	2.7	176.3	-46.1	-82.2	0	0	0	112.4	D116	D116-N118 PolarHBondContact O-N 2.7Å; D116-N118 VanDerWaalsContact O-N 3.16Å; D116-N118 WeakPolarHBondContact OD1-CB 3.4Å; D116-N118 PolarHBondContact OD1-N 2.68Å; D116-N118 PolarHBondContact OD1-ND2 3Å; D116-N118 VanDerWaalsContact OD1-ND2 3.13Å
119	S	79.6	Confident	83.6	Confident	38 Å²	38	67 Å²	67	27%	0.266	35%	0.345	S	S	.	.	S	Bend	trans	-110.6	138.9	-178.2	-165.1	0	0	0	0	111.1	D116 N121 I122 Q124	D116-S119 PolarHBondContact O-N 2.84Å; S119-N121 PolarHBondContact O-N 2.85Å; S119-N121 VanDerWaalsContact O-N 3.12Å; S119-I122 PolarHBondContact O-N 3.4Å; S119-Q124 PolarHBondContact OG-NE2 3.13Å; S119-Q124 VanDerWaalsContact OG-NE2 3.14Å
120	D	71.8	Confident	83.9	Confident	172 Å²	172	72.4 Å²	72.4	92%	0.92	37%	0.37	S	S	*	.	S	Bend	trans	-55.9	-28.9	172.7	-61.4	-47.8	0	0	0	112
121	N	78.5	Confident	84	Confident	125 Å²	125	74.4 Å²	74.4	67%	0.668	38%	0.38	S	S	*	.	S	Bend	trans	-103.2	89.3	169.1	-69.3	-72.3	0	0	0	109.5	S119 L123	S119-N121 PolarHBondContact O-N 2.85Å; S119-N121 VanDerWaalsContact O-N 3.12Å; N121-L123 PolarHBondContact O-N 3.16Å; N121-L123 VanDerWaalsContact O-N 3.13Å
122	I	82.6	Confident	83.9	Confident	83 Å²	83	73 Å²	73	43%	0.426	37%	0.372	S	S	.	.	S	Bend	trans	-54.8	-34.3	-177.3	-62.1	170.9	0	0	0	112.4	R114 H115 D116 L117 S119	R114-I122 VanDerWaalsContact O-O 3.13Å; H115-I122 CarbonylContact C-O 3.54Å; H115-I122 VanDerWaalsContact CA-O 3.3Å; H115-I122 WeakPolarHBondContact CA-O 3.23Å; D116-I122 PolarHBondContact N-O 3.21Å; D116-I122 WeakPolarHBondContact O-CA 3.44Å; L117-I122 HydrophobicContact CD2-CG2 4.01Å; S119-I122 PolarHBondContact O-N 3.4Å
123	L	86.3	Confident	83.7	Confident	80 Å²	80	77.5 Å²	77.5	42%	0.419	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	95.1	176.7	-64.5	-179.6	0	0	0	111.1	F113 H115 N121	F113-L123 HydrophobicContact CB-CB 4.33Å; F113-L123 HydrophobicContact CB-CD2 4.29Å; F113-L123 HydrophobicContact CD1-CB 3.96Å; F113-L123 HydrophobicContact CG-CB 4.46Å; H115-L123 VanDerWaalsContact CD2-CD2 3.5Å; H115-L123 WeakPolarHBondContact CD2-CD2 3.31Å; H115-L123 VanDerWaalsContact NE2-CD2 3.27Å; H115-L123 WeakPolarHBondContact NE2-CD2 3.44Å; N121-L123 PolarHBondContact O-N 3.16Å; N121-L123 VanDerWaalsContact O-N 3.13Å
124	Q	86	Confident	83.3	Confident	49 Å²	49	83 Å²	83	23%	0.229	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	119.9	173.8	-68.9	172.8	-2.1	0	0	109.8	F113 R114 D116 S119 I126	F113-Q124 CarbonylContact C-O 3.59Å; F113-Q124 VanDerWaalsContact CA-O 3.25Å; F113-Q124 WeakPolarHBondContact CA-O 3.5Å; R114-Q124 PolarHBondContact N-O 2.89Å; R114-Q124 PolarHBondContact O-N 2.99Å; D116-Q124 HydrophobicContact CB-CG 4.34Å; D116-Q124 PolarHBondContact OD2-NE2 3.13Å; S119-Q124 PolarHBondContact OG-NE2 3.13Å; S119-Q124 VanDerWaalsContact OG-NE2 3.14Å; Q124-I126 PolarHBondContact O-N 2.79Å
125	R	88.9	Confident	82.9	Confident	148 Å²	148	83.6 Å²	83.6	56%	0.558	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.9	179.4	179.7	-178.6	168.5	177.7	-2.5	110.4	F113	F113-R125 HydrophobicContact CD1-CB 3.89Å; F113-R125 HydrophobicContact CE1-CB 3.64Å; F113-R125 HydrophobicContact CE1-CG 4.22Å; F113-R125 HydrophobicContact CZ-CB 4.28Å; F113-R125 HydrophobicContact CZ-CG 4.38Å
126	I	88.2	Confident	82.9	Confident	7 Å²	7	82.7 Å²	82.7	4%	0.036	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-71.5	130.4	177.2	-64.4	159.2	0	0	0	110	L83 L112 R114 Q124 S128 E131 I132 V138	L83-I126 HydrophobicContact CD1-CG2 3.71Å; L112-I126 HydrophobicContact CB-CB 4.18Å; L112-I126 HydrophobicContact CB-CD1 4.03Å; L112-I126 PolarHBondContact O-N 2.91Å; R114-I126 HydrophobicContact CB-CD1 4.07Å; R114-I126 HydrophobicContact CB-CG1 4.04Å; Q124-I126 PolarHBondContact O-N 2.79Å; I126-S128 VanDerWaalsContact CG2-O 3.25Å; I126-S128 WeakPolarHBondContact CG2-O 3.34Å; I126-E131 WeakPolarHBondContact CA-OE2 3.1Å; I126-E131 HydrophobicContact CG2-CB 4.37Å; I126-I132 HydrophobicContact CD1-CD1 4.33Å; I126-I132 HydrophobicContact CD1-CG1 4.01Å; I126-I132 HydrophobicContact CG2-CD1 4.41Å; I126-I132 HydrophobicContact CG2-CG1 4.24Å; I126-V138 HydrophobicContact CD1-CB 4.38Å; I126-V138 HydrophobicContact CD1-CG1 3.66Å; I126-V138 HydrophobicContact CD1-CG2 3.95Å
127	T	84.5	Confident	83.1	Confident	99 Å²	99	82.5 Å²	82.5	61%	0.607	44%	0.435	S	S	*	.			trans	-123.5	-28.8	178.8	64.5	0	0	0	0	114.6	E131	T127-E131 VanDerWaalsContact CA-OE1 3.31Å; T127-E131 WeakPolarHBondContact CA-OE1 3.39Å; T127-E131 WeakPolarHBondContact CB-OE1 3.25Å; T127-E131 PolarHBondContact N-OE1 3.08Å; T127-E131 PolarHBondContact N-OE2 2.9Å; T127-E131 PolarHBondContact OG1-OE1 3.12Å
128	S	83.3	Confident	83.7	Confident	38 Å²	38	75.9 Å²	75.9	27%	0.266	40%	0.401	S	S	.	.	S	Bend	trans	-115.6	152.9	165.9	-176.8	0	0	0	0	110.2	I126 E130 E131	I126-S128 VanDerWaalsContact CG2-O 3.25Å; I126-S128 WeakPolarHBondContact CG2-O 3.34Å; S128-E130 PolarHBondContact O-N 2.9Å; S128-E130 PolarHBondContact OG-N 3.45Å; S128-E130 PolarHBondContact OG-OE2 2.74Å; S128-E131 PolarHBondContact N-OE1 2.59Å; S128-E131 WeakPolarHBondContact O-CB 3.38Å; S128-E131 PolarHBondContact O-N 3.31Å
129	A	81.3	Confident	84.3	Confident	7 Å²	7	70.2 Å²	70.2	6%	0.058	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-67.4	-22.8	173.7	0	0	0	0	0	112.7	L81 E131 I132	L81-A129 HydrophobicContact CG-CB 4.17Å; L81-A129 WeakPolarHBondContact O-CB 3.29Å; A129-E131 PolarHBondContact O-N 2.68Å; A129-I132 PolarHBondContact O-N 3.23Å
130	E	80.3	Confident	84.7	Confident	161 Å²	161	69.2 Å²	69.2	75%	0.752	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-66.1	-14.1	177.2	-59.4	158.3	140.2	0	0	112.9	S128 I132	S128-E130 PolarHBondContact O-N 2.9Å; S128-E130 PolarHBondContact OG-N 3.45Å; S128-E130 PolarHBondContact OG-OE2 2.74Å; E130-I132 VanDerWaalsContact C-N 3.28Å
131	E	83.6	Confident	85.3	Confident	50 Å²	50	63.6 Å²	63.6	23%	0.234	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-77.9	-12.5	175.9	-61	174.2	-132.2	0	0	112.8	R114 I126 T127 S128 A129 H133	R114-E131 PolarHBondContact NH1-O 2.81Å; I126-E131 WeakPolarHBondContact CA-OE2 3.1Å; I126-E131 HydrophobicContact CG2-CB 4.37Å; T127-E131 VanDerWaalsContact CA-OE1 3.31Å; T127-E131 WeakPolarHBondContact CA-OE1 3.39Å; T127-E131 WeakPolarHBondContact CB-OE1 3.25Å; T127-E131 PolarHBondContact N-OE1 3.08Å; T127-E131 PolarHBondContact N-OE2 2.9Å; T127-E131 PolarHBondContact OG1-OE1 3.12Å; S128-E131 PolarHBondContact N-OE1 2.59Å; S128-E131 WeakPolarHBondContact O-CB 3.38Å; S128-E131 PolarHBondContact O-N 3.31Å; A129-E131 PolarHBondContact O-N 2.68Å; E131-H133 PolarHBondContact O-CE1 2.77Å; E131-H133 VanDerWaalsContact O-CE1 3.31Å; E131-H133 PolarHBondContact O-ND1 2.68Å
132	I	85.6	Confident	85.3	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.031	32%	0.32	C	S	.	.			trans	-93.8	119.2	-178.1	-54.2	175.6	0	0	0	110.1	V61 F63 V86 I126 A129 E130 V138	V61-I132 HydrophobicContact CG1-CG2 4.44Å; F63-I132 HydrophobicContact CB-CG2 4.09Å; F63-I132 HydrophobicContact CD1-CG2 3.68Å; F63-I132 HydrophobicContact CD2-CG2 4.17Å; F63-I132 HydrophobicContact CE1-CG2 4.07Å; F63-I132 HydrophobicContact CG-CG2 3.73Å; F63-I132 HydrophobicContact CZ-CG2 4.47Å; V86-I132 HydrophobicContact CG1-CD1 4.45Å; V86-I132 HydrophobicContact CG2-CD1 4.08Å; I126-I132 HydrophobicContact CD1-CD1 4.33Å; I126-I132 HydrophobicContact CD1-CG1 4.01Å; I126-I132 HydrophobicContact CG2-CD1 4.41Å; I126-I132 HydrophobicContact CG2-CG1 4.24Å; A129-I132 PolarHBondContact O-N 3.23Å; E130-I132 VanDerWaalsContact C-N 3.28Å; I132-V138 HydrophobicContact CG1-CG2 4.43Å; I132-V138 HydrophobicContact CG2-CG2 4.15Å
133	H	84.5	Confident	85	Confident	99 Å²	99	58.6 Å²	58.6	46%	0.458	31%	0.309	S	S	.	.			trans	-111.1	165.7	-176	-60.2	65.6	0	0	0	111.4	R114 E131 G135 D136	R114-H133 PolarHBondContact NH1-ND1 3.48Å; E131-H133 PolarHBondContact O-CE1 2.77Å; E131-H133 VanDerWaalsContact O-CE1 3.31Å; E131-H133 PolarHBondContact O-ND1 2.68Å; H133-G135 PolarHBondContact O-N 3.05Å; H133-D136 PolarHBondContact N-OD2 3.26Å; H133-D136 IonicContact ND1-OD2 2.74Å; H133-D136 WeakPolarHBondContact O-CB 3.22Å; H133-D136 PolarHBondContact O-N 3.3Å
134	E	83.9	Confident	83.9	Confident	157 Å²	157	59.8 Å²	59.8	73%	0.734	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	122.1	177.9	-170.5	174.6	-165.5	0	0	110.9	S62	S62-E134 CarbonylContact O-C 3.37Å; S62-E134 WeakPolarHBondContact O-CA 3.47Å
135	G	82.2	Confident	82.6	Confident	58 Å²	58	63.8 Å²	63.8	60%	0.598	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-4.7	-176.2	0	0	0	0	0	115.6	S62 H133	S62-G135 PolarHBondContact O-N 3.47Å; H133-G135 PolarHBondContact O-N 3.05Å
136	D	88.9	Confident	81.2	Confident	28 Å²	28	58.1 Å²	58.1	15%	0.15	34%	0.337	C	S	.	.			trans	-59.3	149.4	179.5	-83.8	-10.2	0	0	0	112.8	F63 L64 R114 H133 V138	F63-D136 HydrophobicContact CB-CB 4.32Å; F63-D136 WeakPolarHBondContact CB-O 3.49Å; L64-D136 PolarHBondContact N-O 3.32Å; R114-D136 WeakPolarHBondContact CD-OD2 3.27Å; R114-D136 HydrophobicContact CG-CB 4.39Å; H133-D136 PolarHBondContact N-OD2 3.26Å; H133-D136 IonicContact ND1-OD2 2.74Å; H133-D136 WeakPolarHBondContact O-CB 3.22Å; H133-D136 PolarHBondContact O-N 3.3Å; D136-V138 HydrophobicContact CB-CG2 4.39Å
137	L	88.3	Confident	79.8	Confident	31 Å²	31	61 Å²	61	16%	0.162	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.3	165.9	179.3	64.5	0	0	0	109	L64 Q66 H115	L64-L137 HydrophobicContact CB-CD1 3.74Å; Q66-L137 HydrophobicContact CB-CD1 4.05Å; H115-L137 HydrophobicContact CB-CB 4.15Å; H115-L137 HydrophobicContact CB-CD2 4.39Å; H115-L137 HydrophobicContact CB-CG 4.46Å; H115-L137 PolarHBondContact N-O 3.11Å
138	V	90.3	Very high	78.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.5	-178.4	178.3	0	0	0	0	109.5	F63 L64 L65 Q66 L112 F113 I126 I132 D136	F63-V138 HydrophobicContact CD2-CB 4.05Å; F63-V138 HydrophobicContact CD2-CG2 3.7Å; F63-V138 HydrophobicContact CE2-CB 4.3Å; F63-V138 HydrophobicContact CE2-CG2 4.18Å; F63-V138 HydrophobicContact CG-CG2 4.46Å; L64-V138 PolarHBondContact O-N 2.89Å; L65-V138 CarbonylContact C-O 3.17Å; L65-V138 WeakPolarHBondContact CA-O 3.4Å; L65-V138 HydrophobicContact CD1-CB 4.4Å; L65-V138 HydrophobicContact CD1-CG1 4.16Å; Q66-V138 PolarHBondContact N-O 3.12Å; L112-V138 HydrophobicContact CB-CG1 4.15Å; L112-V138 HydrophobicContact CD2-CG1 4.3Å; F113-V138 CarbonylContact O-C 3.56Å; F113-V138 WeakPolarHBondContact O-CA 3.47Å; I126-V138 HydrophobicContact CD1-CB 4.38Å; I126-V138 HydrophobicContact CD1-CG1 3.66Å; I126-V138 HydrophobicContact CD1-CG2 3.95Å; I132-V138 HydrophobicContact CG1-CG2 4.43Å; I132-V138 HydrophobicContact CG2-CG2 4.15Å; D136-V138 HydrophobicContact CB-CG2 4.39Å
139	E	92.2	Very high	76.7	Confident	38 Å²	38	68.7 Å²	68.7	18%	0.178	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.6	179.4	-177.1	155	-144	0	0	112.3	Q66 L112 F113 H115 V141	Q66-E139 HydrophobicContact CB-CB 4.37Å; Q66-E139 HydrophobicContact CB-CG 4.47Å; Q66-E139 HydrophobicContact CG-CG 4.42Å; Q66-E139 PolarHBondContact NE2-OE1 2.87Å; L112-E139 WeakPolarHBondContact CA-O 3.39Å; F113-E139 PolarHBondContact N-O 3.02Å; F113-E139 PolarHBondContact O-N 3.44Å; H115-E139 IonicContact CD2-OE2 2.7Å; H115-E139 IonicContact CE1-OE2 2.88Å; H115-E139 PolarHBondContact CE1-OE2 3.12Å; H115-E139 IonicContact NE2-OE2 3.75Å; H115-E139 PolarHBondContact NE2-OE2 2.88Å; E139-V141 HydrophobicContact CG-CG2 4.12Å
140	V	88.1	Confident	75.3	Confident	18 Å²	18	70.1 Å²	70.1	11%	0.109	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.2	178.8	-178.8	0	0	0	0	109.3	L65 Q66 I67 V90 I110 L112	L65-V140 HydrophobicContact CD1-CG2 3.57Å; L65-V140 HydrophobicContact CD2-CG2 4.33Å; L65-V140 HydrophobicContact CG-CG2 3.87Å; Q66-V140 WeakPolarHBondContact O-CB 3.21Å; Q66-V140 PolarHBondContact O-N 2.9Å; I67-V140 HydrophobicContact CD1-CG2 4.46Å; I67-V140 HydrophobicContact CG1-CB 4.14Å; I67-V140 HydrophobicContact CG1-CG2 3.89Å; V90-V140 HydrophobicContact CG1-CB 4.45Å; V90-V140 HydrophobicContact CG1-CG1 3.63Å; V90-V140 HydrophobicContact CG1-CG2 3.94Å; V90-V140 HydrophobicContact CG2-CG2 3.88Å; I110-V140 HydrophobicContact CG2-CG1 4.12Å; L112-V140 HydrophobicContact CD2-CG2 3.89Å
141	V	84.1	Confident	74.1	Confident	53 Å²	53	66.2 Å²	66.2	32%	0.321	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131	-179.6	-177.5	0	0	0	0	109.3	L111 F113 E139	L111-V141 WeakPolarHBondContact CB-O 3.2Å; L111-V141 PolarHBondContact N-O 2.8Å; L111-V141 PolarHBondContact O-N 3.21Å; F113-V141 HydrophobicContact CD2-CB 4.05Å; F113-V141 HydrophobicContact CD2-CG2 3.67Å; F113-V141 HydrophobicContact CE2-CB 3.89Å; F113-V141 HydrophobicContact CE2-CG1 4.42Å; F113-V141 HydrophobicContact CE2-CG2 3.93Å; E139-V141 HydrophobicContact CG-CG2 4.12Å
142	L	78.3	Confident	72.6	Confident	77 Å²	77	70.8 Å²	70.8	40%	0.403	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.4	170.2	-65	177.7	0	0	0	109.7	F103 M106 I110	F103-L142 HydrophobicContact CE1-CD1 4.26Å; M106-L142 HydrophobicContact SD-CD1 4.45Å; M106-L142 HydrophobicContact SD-CD2 3.96Å; I110-L142 HydrophobicContact CG1-CD2 3.99Å
143	S	77.3	Confident	71.1	Confident	27 Å²	27	76.5 Å²	76.5	19%	0.189	43%	0.427	C	S	.	.			trans	-60	143.9	173.6	178.8	0	0	0	0	111.2	K109 L145 A146	K109-S143 WeakPolarHBondContact O-CB 3.45Å; K109-S143 PolarHBondContact O-N 2.85Å; S143-L145 PolarHBondContact O-N 3.35Å; S143-L145 PolarHBondContact OG-N 2.82Å; S143-A146 WeakPolarHBondContact O-CB 3.35Å; S143-A146 PolarHBondContact O-N 2.91Å
144	A	62.4	Low	70.1	Confident	105 Å²	105	78.1 Å²	78.1	87%	0.868	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-2.1	173.1	0	0	0	0	0	114.2	A146	A144-A146 VanDerWaalsContact C-N 3.33Å
145	L	58.6	Low	69.2	Low	132 Å²	132	74.9 Å²	74.9	69%	0.691	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	2.3	169.3	-57.7	176.7	0	0	0	113.4	K109 S143	K109-L145 WeakPolarHBondContact CE-O 3.45Å; K109-L145 PolarHBondContact NZ-O 3.17Å; S143-L145 PolarHBondContact O-N 3.35Å; S143-L145 PolarHBondContact OG-N 2.82Å
146	A	59.2	Low	68.9	Low	29 Å²	29	73.4 Å²	73.4	24%	0.24	40%	0.399	C	S	.	.			trans	-78.3	122.3	166.2	0	0	0	0	0	109.8	M106 K109 S143 A144 D150	M106-A146 HydrophobicContact CE-CB 3.97Å; M106-A146 HydrophobicContact SD-CB 4.41Å; K109-A146 HydrophobicContact CD-CB 4.21Å; S143-A146 WeakPolarHBondContact O-CB 3.35Å; S143-A146 PolarHBondContact O-N 2.91Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A146-D150 WeakPolarHBondContact CA-OD2 3.29Å
147	T	58.2	Low	68.5	Low	69 Å²	69	74.8 Å²	74.8	42%	0.423	42%	0.415	S	S	.	.			trans	-110.2	164.5	-179.9	69.9	0	0	0	0	110.3	E149 D150 F151	T147-E149 PolarHBondContact O-N 2.87Å; T147-E149 VanDerWaalsContact O-N 3.16Å; T147-E149 PolarHBondContact OG1-N 2.89Å; T147-D150 PolarHBondContact N-OD2 3.18Å; T147-D150 WeakPolarHBondContact O-CB 3.24Å; T147-D150 PolarHBondContact O-N 3.27Å; T147-D150 VanDerWaalsContact O-N 3.15Å; T147-F151 WeakPolarHBondContact O-CD2 3.39Å
148	V	52.7	Low	68.3	Low	132 Å²	132	75.9 Å²	75.9	80%	0.8	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-60.4	-24.9	176	-175.4	0	0	0	0	111.7	D150 F151	V148-D150 VanDerWaalsContact C-N 3.31Å; V148-D150 PolarHBondContact O-N 3.08Å; V148-F151 PolarHBondContact O-N 2.71Å
149	E	49.9	Very low	67.8	Low	166 Å²	166	80.7 Å²	80.7	78%	0.776	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-72.3	-20	179.6	-57.6	-174	166.3	0	0	113.9	T147 F151	T147-E149 PolarHBondContact O-N 2.87Å; T147-E149 VanDerWaalsContact O-N 3.16Å; T147-E149 PolarHBondContact OG1-N 2.89Å; E149-F151 PolarHBondContact O-N 2.81Å
150	D	53.6	Low	67.5	Low	37 Å²	37	82.6 Å²	82.6	20%	0.198	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-67.6	-19.4	172.7	-64.2	-58.6	0	0	0	112.2	M106 K109 A146 T147 V148 Q152	M106-D150 HydrophobicContact CE-CB 3.48Å; M106-D150 VanDerWaalsContact CE-CB 3.48Å; K109-D150 IonicContact NZ-OD1 2.59Å; K109-D150 PolarHBondContact NZ-OD1 3.17Å; K109-D150 IonicContact NZ-OD2 3.61Å; K109-D150 PolarHBondContact NZ-OD2 2.95Å; A146-D150 WeakPolarHBondContact CA-OD2 3.29Å; T147-D150 PolarHBondContact N-OD2 3.18Å; T147-D150 WeakPolarHBondContact O-CB 3.24Å; T147-D150 PolarHBondContact O-N 3.27Å; T147-D150 VanDerWaalsContact O-N 3.15Å; V148-D150 VanDerWaalsContact C-N 3.31Å; V148-D150 PolarHBondContact O-N 3.08Å; D150-Q152 PolarHBondContact O-N 2.81Å
151	F	55.2	Low	67.2	Low	79 Å²	79	84.4 Å²	84.4	35%	0.346	46%	0.461	S	S	.	.	S	Bend	trans	-95.9	67.9	-175.1	-61.8	-92.3	0	0	0	112	F103 M106 T147 V148 E149 I153	F103-F151 HydrophobicContact CD1-CE1 4.04Å; F103-F151 AromaticContact CE1-CE1 3.66Å; F103-F151 HydrophobicContact CE1-CE1 3.66Å; F103-F151 HydrophobicContact CE1-CZ 4.27Å; F103-F151 HydrophobicContact CZ-CE1 4.3Å; M106-F151 HydrophobicContact CE-CD2 4.17Å; M106-F151 HydrophobicContact CE-CE1 4Å; M106-F151 HydrophobicContact CE-CE2 3.49Å; M106-F151 VanDerWaalsContact CE-CE2 3.49Å; M106-F151 HydrophobicContact CE-CZ 3.39Å; M106-F151 HydrophobicContact SD-CZ 4.45Å; T147-F151 WeakPolarHBondContact O-CD2 3.39Å; V148-F151 PolarHBondContact O-N 2.71Å; E149-F151 PolarHBondContact O-N 2.81Å; F151-I153 PolarHBondContact O-N 2.93Å
152	Q	51.7	Low	67.1	Low	146 Å²	146	84.4 Å²	84.4	68%	0.682	46%	0.463	S	S	*	.			trans	-73.4	94.4	-175.4	-74.1	-163.7	-1.8	0	0	115	D150	D150-Q152 PolarHBondContact O-N 2.81Å
153	I	54.4	Low	67.2	Low	126 Å²	126	81.8 Å²	81.8	65%	0.646	45%	0.448	S	S	*	.			trans	-64.6	134.5	164.1	-62.7	176	0	0	0	110.2	F151 P155 N203	F151-I153 PolarHBondContact O-N 2.93Å; I153-P155 WeakPolarHBondContact O-CD 3.27Å; I153-N203 HydrophobicContact CG2-CB 3.31Å
154	R	61.8	Low	66.8	Low	132 Å²	132	91 Å²	91	50%	0.498	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-117.3	82.5	-173.6	-67.5	-171.3	-177.1	174.3	5.2	113.4	N203 N204 C205	R154-N203 CarbonylContact C-O 3.47Å; R154-N203 WeakPolarHBondContact CA-O 3.21Å; R154-N203 PolarHBondContact N-O 3.35Å; R154-N203 CarbonylContact O-C 2.97Å; R154-N203 WeakPolarHBondContact O-CA 3.32Å; R154-N203 VanDerWaalsContact O-O 3.13Å; R154-N204 PolarHBondContact O-N 3.18Å; R154-C205 WeakPolarHBondContact O-CB 3.24Å; R154-C205 PolarHBondContact O-N 3.11Å
155	P	66.4	Low	67.1	Low	89 Å²	89	89 Å²	89	58%	0.578	47%	0.468	S	S	*	.			trans	-67	153.1	-177.2	27.8	-35.5	0	0	0	114.2	I153 N203	I153-P155 WeakPolarHBondContact O-CD 3.27Å; P155-N203 VanDerWaalsContact CA-OD1 3.27Å; P155-N203 WeakPolarHBondContact CA-OD1 3.44Å; P155-N203 WeakPolarHBondContact CB-OD1 3.49Å
156	H	76	Confident	67.8	Low	27 Å²	27	87.7 Å²	87.7	13%	0.125	47%	0.467	C	S	.	.			trans	-81.9	124	175.6	-77.4	-125.3	0	0	0	111.2	L158 C189 Y193 I201 C205	H156-L158 HydrophobicContact CB-CD2 3.99Å; H156-L158 HydrophobicContact CB-CG 4.13Å; H156-L158 PolarHBondContact O-N 3.12Å; H156-C189 VanDerWaalsContact CE1-SG 3.51Å; H156-Y193 PolarHBondContact CE1-OH 2.55Å; H156-Y193 AromaticContact ND1-CE2 3.99Å; H156-Y193 PolarHBondContact ND1-OH 2.97Å; H156-I201 HydrophobicContact CB-CG2 4.45Å; H156-C205 VanDerWaalsContact CD2-CB 3.43Å; H156-C205 WeakPolarHBondContact CD2-CB 3.16Å; H156-C205 VanDerWaalsContact NE2-CA 3.32Å; H156-C205 WeakPolarHBondContact NE2-CA 3.5Å
157	A	80.1	Confident	68.4	Low	58 Å²	58	87.9 Å²	87.9	48%	0.479	47%	0.466	S	S	.	.			trans	-81.4	97.3	172.7	0	0	0	0	0	110.4	C186 E187	A157-C186 CarbonylContact O-C 3.57Å; A157-C186 WeakPolarHBondContact O-CA 3.25Å; A157-E187 PolarHBondContact O-N 2.87Å
158	L	83.8	Confident	69.5	Low	53 Å²	53	89.7 Å²	89.7	28%	0.277	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.6	-173.3	-59.9	179.6	0	0	0	112.8	H156 L184 K185 C186 Y193 A198 I201	H156-L158 HydrophobicContact CB-CD2 3.99Å; H156-L158 HydrophobicContact CB-CG 4.13Å; H156-L158 PolarHBondContact O-N 3.12Å; L158-L184 HydrophobicContact CB-CB 4.26Å; L158-L184 HydrophobicContact CB-CD1 4.21Å; L158-L184 HydrophobicContact CD1-CD1 3.82Å; L158-K185 WeakPolarHBondContact CA-O 3.49Å; L158-C186 HydrophobicContact CD2-CB 3.76Å; L158-Y193 HydrophobicContact CD2-CD2 3.76Å; L158-Y193 HydrophobicContact CD2-CE2 4Å; L158-A198 HydrophobicContact CD1-CB 3.91Å; L158-I201 HydrophobicContact CD1-CD1 3.81Å
159	Y	80.6	Confident	71	Confident	101 Å²	101	83.5 Å²	83.5	40%	0.396	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.3	171.4	66.4	-87.1	0	0	0	111.9	H161 L184 K185 E187	Y159-H161 HydrophobicContact CE2-CB 4.23Å; Y159-H161 PolarHBondContact O-N 3.27Å; Y159-L184 CarbonylContact O-C 3.38Å; Y159-L184 VanDerWaalsContact O-CA 3.24Å; Y159-L184 WeakPolarHBondContact O-CA 3.39Å; Y159-K185 WeakPolarHBondContact CD1-O 3.33Å; Y159-K185 HydrophobicContact CE1-CB 4.08Å; Y159-K185 WeakPolarHBondContact CE1-O 3.4Å; Y159-K185 HydrophobicContact CE2-CB 4.27Å; Y159-K185 PolarHBondContact N-O 3.24Å; Y159-K185 PolarHBondContact O-N 2.88Å; Y159-E187 HydrophobicContact CD1-CB 4.09Å; Y159-E187 HydrophobicContact CD1-CG 4.4Å; Y159-E187 HydrophobicContact CE1-CB 3.98Å; Y159-E187 HydrophobicContact CE1-CG 4.07Å
160	V	85.8	Confident	72.6	Confident	78 Å²	78	79.6 Å²	79.6	47%	0.473	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.9	-179.7	-177.5	0	0	0	0	110.5	R181 L184	V160-R181 HydrophobicContact CG1-CB 3.65Å; V160-R181 HydrophobicContact CG1-CG 3.8Å; V160-L184 HydrophobicContact CB-CD2 4.35Å; V160-L184 HydrophobicContact CG2-CD2 3.7Å
161	H	81.1	Confident	73.7	Confident	57 Å²	57	80.8 Å²	80.8	26%	0.264	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.5	-177.7	-173.3	-94.1	0	0	0	111.4	Y159 Y163 R181 Q182 G183 K185	Y159-H161 HydrophobicContact CE2-CB 4.23Å; Y159-H161 PolarHBondContact O-N 3.27Å; H161-Y163 HydrophobicContact CB-CE2 3.8Å; H161-Y163 AromaticContact CE1-CD1 3.9Å; H161-Y163 AromaticContact CE1-CE1 3.91Å; H161-Y163 AromaticContact CG-CZ 3.9Å; H161-Y163 AromaticContact ND1-CD1 3.48Å; H161-Y163 WeakPolarHBondContact ND1-CD1 3.48Å; H161-Y163 AromaticContact ND1-CD2 3.62Å; H161-Y163 AromaticContact ND1-CE1 3.28Å; H161-Y163 VanDerWaalsContact ND1-CE1 3.28Å; H161-Y163 WeakPolarHBondContact ND1-CE1 3.33Å; H161-Y163 AromaticContact ND1-CE2 3.42Å; H161-Y163 WeakPolarHBondContact ND1-CE2 3.22Å; H161-Y163 AromaticContact ND1-CG 3.66Å; H161-Y163 AromaticContact ND1-CZ 3.27Å; H161-Y163 VanDerWaalsContact ND1-CZ 3.27Å; H161-R181 CarbonylContact O-C 3.12Å; H161-R181 WeakPolarHBondContact O-CA 3.49Å; H161-Q182 PolarHBondContact O-N 2.92Å; H161-G183 PolarHBondContact N-O 2.87Å; H161-K185 HydrophobicContact CB-CB 3.93Å
162	S	83.1	Confident	74.8	Confident	52 Å²	52	79.6 Å²	79.6	36%	0.364	42%	0.417	S	S	.	.			trans	-111.6	119.2	176.7	-57.9	0	0	0	0	109.9	V180 R181	S162-V180 WeakPolarHBondContact OG-CG1 3.43Å; S162-R181 PolarHBondContact OG-N 2.84Å
163	Y	79.5	Confident	75.6	Confident	23 Å²	23	75.3 Å²	75.3	9%	0.09	41%	0.413	C	S	.	.			trans	-97.3	128	-171.9	-64.4	-90.9	0	0	0	110.3	H161 A165 T167 L176 Q182 L184 K185 N192	H161-Y163 HydrophobicContact CB-CE2 3.8Å; H161-Y163 AromaticContact CE1-CD1 3.9Å; H161-Y163 AromaticContact CE1-CE1 3.91Å; H161-Y163 AromaticContact CG-CZ 3.9Å; H161-Y163 AromaticContact ND1-CD1 3.48Å; H161-Y163 WeakPolarHBondContact ND1-CD1 3.48Å; H161-Y163 AromaticContact ND1-CD2 3.62Å; H161-Y163 AromaticContact ND1-CE1 3.28Å; H161-Y163 VanDerWaalsContact ND1-CE1 3.28Å; H161-Y163 WeakPolarHBondContact ND1-CE1 3.33Å; H161-Y163 AromaticContact ND1-CE2 3.42Å; H161-Y163 WeakPolarHBondContact ND1-CE2 3.22Å; H161-Y163 AromaticContact ND1-CG 3.66Å; H161-Y163 AromaticContact ND1-CZ 3.27Å; H161-Y163 VanDerWaalsContact ND1-CZ 3.27Å; Y163-A165 VanDerWaalsContact C-N 3.32Å; Y163-T167 HydrophobicContact CD1-CG2 3.67Å; Y163-T167 WeakPolarHBondContact CD1-OG1 3.44Å; Y163-T167 HydrophobicContact CE1-CG2 3.74Å; Y163-T167 HydrophobicContact CG-CG2 4.38Å; Y163-L176 HydrophobicContact CD2-CD1 3.93Å; Y163-L176 HydrophobicContact CE1-CD1 4.43Å; Y163-L176 HydrophobicContact CE2-CD1 3.63Å; Y163-L176 HydrophobicContact CG-CD1 4.45Å; Y163-Q182 HydrophobicContact CD2-CB 4.41Å; Y163-Q182 PolarHBondContact O-NE2 3.39Å; Y163-Q182 VanDerWaalsContact O-NE2 3.11Å; Y163-L184 PolarHBondContact OH-O 2.79Å; Y163-K185 WeakPolarHBondContact OH-CB 3.48Å; Y163-N192 HydrophobicContact CE1-CB 4.3Å; Y163-N192 VanDerWaalsContact CE1-OD1 3.23Å; Y163-N192 WeakPolarHBondContact CE1-OD1 3.36Å; Y163-N192 WeakPolarHBondContact OH-CB 3.05Å; Y163-N192 PolarHBondContact OH-OD1 3.46Å
164	K	69.7	Low	76.6	Confident	220 Å²	220	73.7 Å²	73.7	96%	0.957	40%	0.402	S	S	*	.	S	Bend	trans	-86.8	-0.2	-179.3	-62.4	-173.1	178.8	-176.3	0	113.8
165	A	68.6	Low	77.2	Confident	64 Å²	64	70.2 Å²	70.2	53%	0.529	39%	0.393	S	S	.	.	S	Bend	trans	-147.5	156.6	-179.9	0	0	0	0	0	110	Y163 T167	Y163-A165 VanDerWaalsContact C-N 3.32Å; A165-T167 PolarHBondContact O-N 3.32Å; A165-T167 PolarHBondContact O-OG1 3.47Å
166	P	72.1	Confident	77.3	Confident	104 Å²	104	66.5 Å²	66.5	68%	0.675	37%	0.368	S	S	*	.			trans	-51.4	108.8	174.2	-28.3	37	0	0	0	111.7	M175	P166-M175 HydrophobicContact CB-SD 3.87Å
167	T	71.4	Confident	76.3	Confident	33 Å²	33	72.5 Å²	72.5	20%	0.202	39%	0.389	C	S	.	.			trans	-119.8	150.3	-178	-53.4	0	0	0	0	108.2	Y163 A165 M175 L176 N192	Y163-T167 HydrophobicContact CD1-CG2 3.67Å; Y163-T167 WeakPolarHBondContact CD1-OG1 3.44Å; Y163-T167 HydrophobicContact CE1-CG2 3.74Å; Y163-T167 HydrophobicContact CG-CG2 4.38Å; A165-T167 PolarHBondContact O-N 3.32Å; A165-T167 PolarHBondContact O-OG1 3.47Å; T167-M175 WeakPolarHBondContact O-CG 3.25Å; T167-L176 HydrophobicContact CG2-CD1 3.97Å; T167-L176 WeakPolarHBondContact O-CB 3.38Å; T167-L176 WeakPolarHBondContact O-CG 3.49Å; T167-L176 PolarHBondContact O-N 3.48Å; T167-N192 HydrophobicContact CG2-CB 4.21Å
168	F	81.7	Confident	75.1	Confident	107 Å²	107	72.3 Å²	72.3	47%	0.469	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-115.7	158.4	-173.5	-64.7	-100.2	0	0	0	111.1	G173 M175	F168-G173 WeakPolarHBondContact CD1-O 3.38Å; F168-M175 HydrophobicContact CD1-CB 3.83Å; F168-M175 HydrophobicContact CD1-CG 4.21Å; F168-M175 HydrophobicContact CE1-CB 3.61Å; F168-M175 HydrophobicContact CE1-CG 3.87Å; F168-M175 HydrophobicContact CE1-SD 4.3Å; F168-M175 HydrophobicContact CE2-CG 4.35Å; F168-M175 HydrophobicContact CZ-CB 4.19Å; F168-M175 HydrophobicContact CZ-CG 3.94Å; F168-M175 HydrophobicContact CZ-SD 3.95Å
169	C	84.3	Confident	73.8	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.007	42%	0.423	C	S	.	.			trans	-81.1	115.3	176.5	178.8	0	0	0	0	109.7	Y171 C172 G173 E174 L176 N192 H194	C169-Y171 PolarHBondContact O-N 3.18Å; C169-C172 PolarHBondContact O-N 2.86Å; C169-C172 VanDerWaalsContact SG-SG 3.61Å; C169-G173 WeakPolarHBondContact O-CA 3.5Å; C169-G173 PolarHBondContact O-N 3.37Å; C169-E174 WeakPolarHBondContact CB-O 3.39Å; C169-E174 PolarHBondContact N-O 3.32Å; C169-L176 HydrophobicContact CB-CD2 3.97Å; C169-N192 CarbonylContact C-O 3.54Å; C169-N192 WeakPolarHBondContact CA-O 3.11Å; C169-H194 WeakPolarHBondContact CB-ND1 3.46Å; C169-H194 PolarHBondContact SG-N 2.79Å; C169-H194 VanDerWaalsContact SG-N 3.42Å
170	D	84.1	Confident	72.6	Confident	84 Å²	84	78 Å²	78	45%	0.449	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-3.1	-176.9	-67.6	-56.8	0	0	0	113.7	L191 N192 Y193	D170-L191 HydrophobicContact CB-CB 4.08Å; D170-L191 HydrophobicContact CB-CD1 4.45Å; D170-L191 HydrophobicContact CB-CD2 4.26Å; D170-L191 HydrophobicContact CB-CG 4.49Å; D170-L191 WeakPolarHBondContact OD2-CA 3.25Å; D170-N192 PolarHBondContact N-O 3.39Å; D170-N192 PolarHBondContact OD2-N 3.33Å; D170-N192 PolarHBondContact OD2-ND2 3.38Å; D170-Y193 HydrophobicContact CB-CE1 4.18Å
171	Y	76.1	Confident	72	Confident	63 Å²	63	82.5 Å²	82.5	25%	0.247	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-48.2	171.4	162.6	-102.4	0	0	0	113	C169 C197 K200 E330	C169-Y171 PolarHBondContact O-N 3.18Å; Y171-C197 HydrophobicContact CD1-CB 3.75Å; Y171-C197 HydrophobicContact CE1-CB 4.26Å; Y171-K200 HydrophobicContact CE1-CB 3.83Å; Y171-K200 HydrophobicContact CE1-CD 4.36Å; Y171-K200 HydrophobicContact CE2-CB 4.33Å; Y171-K200 WeakPolarHBondContact OH-CB 3.39Å; Y171-E330 PolarHBondContact OH-OE1 2.69Å; Y171-E330 PolarHBondContact OH-OE2 3.41Å
172	C	78.9	Confident	71.8	Confident	53 Å²	53	80.9 Å²	80.9	36%	0.358	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-1.2	-174.4	76.5	0	0	0	0	115.2	C169 E174	C169-C172 PolarHBondContact O-N 2.86Å; C169-C172 VanDerWaalsContact SG-SG 3.61Å; C172-E174 PolarHBondContact O-N 2.99Å
173	G	68.6	Low	71.9	Confident	57 Å²	57	78.4 Å²	78.4	59%	0.588	42%	0.418	S	S	*	.			trans	71.5	-7.7	178.5	0	0	0	0	0	116.3	F168 C169	F168-G173 WeakPolarHBondContact CD1-O 3.38Å; C169-G173 WeakPolarHBondContact O-CA 3.5Å; C169-G173 PolarHBondContact O-N 3.37Å
174	E	75.4	Confident	72.2	Confident	91 Å²	91	78.2 Å²	78.2	43%	0.425	42%	0.418	S	S	.	.			trans	-80.9	154.5	179	-70.8	-173.3	173.7	0	0	112.8	C169 C172 W177 H194 R196	C169-E174 WeakPolarHBondContact CB-O 3.39Å; C169-E174 PolarHBondContact N-O 3.32Å; C172-E174 PolarHBondContact O-N 2.99Å; E174-W177 HydrophobicContact CB-CZ2 4.23Å; E174-H194 PolarHBondContact O-CE1 3.42Å; E174-R196 IonicContact OE2-CZ 3.75Å; E174-R196 IonicContact OE2-NH1 3.97Å; E174-R196 IonicContact OE2-NH2 3.08Å; E174-R196 PolarHBondContact OE2-NH2 2.92Å
175	M	73.3	Confident	73.1	Confident	60 Å²	60	70.6 Å²	70.6	30%	0.296	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-70.6	144.6	-175.9	-161.2	168.8	64.5	0	0	112.8	P166 T167 F168 W177 H194	P166-M175 HydrophobicContact CB-SD 3.87Å; T167-M175 WeakPolarHBondContact O-CG 3.25Å; F168-M175 HydrophobicContact CD1-CB 3.83Å; F168-M175 HydrophobicContact CD1-CG 4.21Å; F168-M175 HydrophobicContact CE1-CB 3.61Å; F168-M175 HydrophobicContact CE1-CG 3.87Å; F168-M175 HydrophobicContact CE1-SD 4.3Å; F168-M175 HydrophobicContact CE2-CG 4.35Å; F168-M175 HydrophobicContact CZ-CB 4.19Å; F168-M175 HydrophobicContact CZ-CG 3.94Å; F168-M175 HydrophobicContact CZ-SD 3.95Å; M175-W177 HydrophobicContact CB-CD2 4.4Å; M175-W177 HydrophobicContact CB-CE3 4.08Å; M175-W177 HydrophobicContact CB-CH2 4.08Å; M175-W177 HydrophobicContact CB-CZ2 4.4Å; M175-W177 HydrophobicContact CB-CZ3 3.92Å; M175-W177 HydrophobicContact CE-CE3 3.66Å; M175-W177 HydrophobicContact CE-CZ3 3.7Å; M175-W177 VanDerWaalsContact O-CD1 3.31Å; M175-W177 PolarHBondContact O-N 2.67Å; M175-W177 VanDerWaalsContact O-N 3.15Å; M175-W177 PolarHBondContact O-NE1 2.89Å; M175-W177 VanDerWaalsContact O-NE1 3.09Å; M175-H194 PolarHBondContact O-CE1 2.91Å; M175-H194 PolarHBondContact O-NE2 3.49Å
176	L	70.6	Confident	74.1	Confident	11 Å²	11	67.6 Å²	67.6	6%	0.058	36%	0.36	C	S	.	.			trans	-78.5	92.9	174.3	-57.6	-177.9	0	0	0	109.8	Y163 T167 C169 Q182 N192 H194	Y163-L176 HydrophobicContact CD2-CD1 3.93Å; Y163-L176 HydrophobicContact CE1-CD1 4.43Å; Y163-L176 HydrophobicContact CE2-CD1 3.63Å; Y163-L176 HydrophobicContact CG-CD1 4.45Å; T167-L176 HydrophobicContact CG2-CD1 3.97Å; T167-L176 WeakPolarHBondContact O-CB 3.38Å; T167-L176 WeakPolarHBondContact O-CG 3.49Å; T167-L176 PolarHBondContact O-N 3.48Å; C169-L176 HydrophobicContact CB-CD2 3.97Å; L176-Q182 HydrophobicContact CB-CB 4.06Å; L176-N192 HydrophobicContact CD1-CB 4.18Å; L176-H194 VanDerWaalsContact CD2-CD2 3.48Å; L176-H194 WeakPolarHBondContact CD2-CD2 3.49Å
177	W	55	Low	74.4	Confident	152 Å²	152	67.2 Å²	67.2	58%	0.576	35%	0.349	S	S	*	.			trans	-73.3	147	-174.8	-26.2	93.5	0	0	0	113.1	E174 M175 Q182 H194	E174-W177 HydrophobicContact CB-CZ2 4.23Å; M175-W177 HydrophobicContact CB-CD2 4.4Å; M175-W177 HydrophobicContact CB-CE3 4.08Å; M175-W177 HydrophobicContact CB-CH2 4.08Å; M175-W177 HydrophobicContact CB-CZ2 4.4Å; M175-W177 HydrophobicContact CB-CZ3 3.92Å; M175-W177 HydrophobicContact CE-CE3 3.66Å; M175-W177 HydrophobicContact CE-CZ3 3.7Å; M175-W177 VanDerWaalsContact O-CD1 3.31Å; M175-W177 PolarHBondContact O-N 2.67Å; M175-W177 VanDerWaalsContact O-N 3.15Å; M175-W177 PolarHBondContact O-NE1 2.89Å; M175-W177 VanDerWaalsContact O-NE1 3.09Å; W177-Q182 WeakPolarHBondContact O-CB 3.35Å; W177-H194 AromaticContact CD1-NE2 3.88Å; W177-H194 AromaticContact NE1-NE2 3.69Å
178	G	54.5	Low	74.8	Confident	55 Å²	55	67.1 Å²	67.1	57%	0.567	36%	0.355	S	S	*	.	S	Bend	trans	120.7	170.4	172.5	0	0	0	0	0	114.6	Q182	G178-Q182 VanDerWaalsContact C-CG 3.47Å; G178-Q182 WeakPolarHBondContact O-CG 3.36Å; G178-Q182 PolarHBondContact O-NE2 3.3Å
179	L	55.8	Low	74.7	Confident	170 Å²	170	63.4 Å²	63.4	89%	0.89	34%	0.342	S	S	*	.	S	Bend	trans	-91	-30.8	-177.5	-65.2	174.9	0	0	0	113.8	Q182	L179-Q182 VanDerWaalsContact C-NE2 3.29Å; L179-Q182 PolarHBondContact O-NE2 3.24Å
180	V	56.3	Low	74.6	Confident	104 Å²	104	64.9 Å²	64.9	63%	0.63	36%	0.357	S	S	*	.	S	Bend	trans	-146.9	152.2	-179.2	-158.9	0	0	0	0	108.9	S162 Q182	S162-V180 WeakPolarHBondContact OG-CG1 3.43Å; V180-Q182 PolarHBondContact O-N 2.98Å
181	R	73.2	Confident	74.8	Confident	171 Å²	171	64 Å²	64	65%	0.645	35%	0.353	S	S	*	.	S	Bend	trans	51.7	37.5	178.4	-63.8	-178.4	176.5	178.9	-1.7	113.8	V160 H161 S162 G183 K195	V160-R181 HydrophobicContact CG1-CB 3.65Å; V160-R181 HydrophobicContact CG1-CG 3.8Å; H161-R181 CarbonylContact O-C 3.12Å; H161-R181 WeakPolarHBondContact O-CA 3.49Å; S162-R181 PolarHBondContact OG-N 2.84Å; R181-G183 VanDerWaalsContact C-N 3.26Å; R181-G183 PolarHBondContact O-N 2.97Å; R181-K195 VanDerWaalsContact O-CE 3.26Å; R181-K195 WeakPolarHBondContact O-CE 3.44Å; R181-K195 PolarHBondContact O-NZ 2.78Å
182	Q	76.3	Confident	75.3	Confident	24 Å²	24	62.2 Å²	62.2	11%	0.112	35%	0.347	C	S	.	.			trans	-64.3	-24.6	-170.3	-59.9	92.8	-25	0	0	114.6	H161 Y163 L176 W177 G178 L179 V180	H161-Q182 PolarHBondContact O-N 2.92Å; Y163-Q182 HydrophobicContact CD2-CB 4.41Å; Y163-Q182 PolarHBondContact O-NE2 3.39Å; Y163-Q182 VanDerWaalsContact O-NE2 3.11Å; L176-Q182 HydrophobicContact CB-CB 4.06Å; W177-Q182 WeakPolarHBondContact O-CB 3.35Å; G178-Q182 VanDerWaalsContact C-CG 3.47Å; G178-Q182 WeakPolarHBondContact O-CG 3.36Å; G178-Q182 PolarHBondContact O-NE2 3.3Å; L179-Q182 VanDerWaalsContact C-NE2 3.29Å; L179-Q182 PolarHBondContact O-NE2 3.24Å; V180-Q182 PolarHBondContact O-N 2.98Å
183	G	84.2	Confident	75.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-171.6	-175.5	0	0	0	0	0	113.4	H161 R181 Y193	H161-G183 PolarHBondContact N-O 2.87Å; R181-G183 VanDerWaalsContact C-N 3.26Å; R181-G183 PolarHBondContact O-N 2.97Å; G183-Y193 CarbonylContact C-O 3.57Å; G183-Y193 WeakPolarHBondContact CA-O 3.48Å
184	L	86.9	Confident	76.2	Confident	18 Å²	18	57.9 Å²	57.9	9%	0.094	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.6	174.8	-58.7	177	0	0	0	109.3	L158 Y159 V160 Y163 N192 Y193 K195 A198	L158-L184 HydrophobicContact CB-CB 4.26Å; L158-L184 HydrophobicContact CB-CD1 4.21Å; L158-L184 HydrophobicContact CD1-CD1 3.82Å; Y159-L184 CarbonylContact O-C 3.38Å; Y159-L184 VanDerWaalsContact O-CA 3.24Å; Y159-L184 WeakPolarHBondContact O-CA 3.39Å; V160-L184 HydrophobicContact CB-CD2 4.35Å; V160-L184 HydrophobicContact CG2-CD2 3.7Å; Y163-L184 PolarHBondContact OH-O 2.79Å; L184-N192 CarbonylContact O-C 3.56Å; L184-N192 WeakPolarHBondContact O-CA 3.48Å; L184-Y193 PolarHBondContact N-O 3.29Å; L184-Y193 PolarHBondContact O-N 2.67Å; L184-K195 HydrophobicContact CD1-CG 4.49Å; L184-K195 HydrophobicContact CD2-CG 4.14Å; L184-K195 HydrophobicContact CG-CG 4.02Å; L184-A198 HydrophobicContact CD1-CB 3.65Å
185	K	88	Confident	76.3	Confident	60 Å²	60	58.6 Å²	58.6	26%	0.261	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140	169.4	-162.9	167.5	-173.1	179.6	0	110.1	L158 Y159 H161 Y163 G190 L191	L158-K185 WeakPolarHBondContact CA-O 3.49Å; Y159-K185 WeakPolarHBondContact CD1-O 3.33Å; Y159-K185 HydrophobicContact CE1-CB 4.08Å; Y159-K185 WeakPolarHBondContact CE1-O 3.4Å; Y159-K185 HydrophobicContact CE2-CB 4.27Å; Y159-K185 PolarHBondContact N-O 3.24Å; Y159-K185 PolarHBondContact O-N 2.88Å; H161-K185 HydrophobicContact CB-CB 3.93Å; Y163-K185 WeakPolarHBondContact OH-CB 3.48Å; K185-G190 WeakPolarHBondContact CE-O 3.34Å; K185-L191 CarbonylContact C-O 3.55Å; K185-L191 WeakPolarHBondContact CA-O 3.24Å
186	C	88.9	Confident	76.4	Confident	2 Å²	2	60 Å²	60	1%	0.014	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.9	173	-170.9	0	0	0	0	110.5	A157 L158 G188 C189 G190 L191 Y193 C205	A157-C186 CarbonylContact O-C 3.57Å; A157-C186 WeakPolarHBondContact O-CA 3.25Å; L158-C186 HydrophobicContact CD2-CB 3.76Å; C186-G188 PolarHBondContact O-N 3.44Å; C186-G188 PolarHBondContact SG-N 2.68Å; C186-G188 VanDerWaalsContact SG-N 3.44Å; C186-C189 WeakPolarHBondContact CB-SG 3.35Å; C186-C189 PolarHBondContact SG-N 3.23Å; C186-G190 VanDerWaalsContact O-CA 3.24Å; C186-G190 WeakPolarHBondContact O-CA 3.49Å; C186-G190 PolarHBondContact O-N 2.99Å; C186-L191 PolarHBondContact N-O 3.24Å; C186-Y193 HydrophobicContact CB-CE2 4.23Å; C186-C205 VanDerWaalsContact SG-SG 3.69Å
187	E	78.9	Confident	76.5	Confident	96 Å²	96	59.6 Å²	59.6	45%	0.449	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.6	175.2	-147.8	-161.8	179.5	0	0	112.6	A157 Y159 R209	A157-E187 PolarHBondContact O-N 2.87Å; Y159-E187 HydrophobicContact CD1-CB 4.09Å; Y159-E187 HydrophobicContact CD1-CG 4.4Å; Y159-E187 HydrophobicContact CE1-CB 3.98Å; Y159-E187 HydrophobicContact CE1-CG 4.07Å; E187-R209 VanDerWaalsContact CD-NH2 3.25Å; E187-R209 IonicContact OE1-CZ 2.66Å; E187-R209 IonicContact OE1-NH1 3.94Å; E187-R209 PolarHBondContact OE1-NH1 2.67Å; E187-R209 IonicContact OE1-NH2 1.76Å; E187-R209 PolarHBondContact OE1-NH2 3.28Å; E187-R209 IonicContact OE2-CZ 3.57Å; E187-R209 IonicContact OE2-NH1 2.73Å; E187-R209 PolarHBondContact OE2-NH1 3.29Å; E187-R209 IonicContact OE2-NH2 3.56Å
188	G	80.2	Confident	77.2	Confident	31 Å²	31	54 Å²	54	32%	0.32	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-72.7	174.7	0	0	0	0	0	112.7	C186 G207	C186-G188 PolarHBondContact O-N 3.44Å; C186-G188 PolarHBondContact SG-N 2.68Å; C186-G188 VanDerWaalsContact SG-N 3.44Å; G188-G207 VanDerWaalsContact C-CA 3.42Å; G188-G207 WeakPolarHBondContact O-CA 3.07Å
189	C	79.7	Confident	77.3	Confident	28 Å²	28	56.7 Å²	56.7	19%	0.189	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.2	-172.9	63.7	0	0	0	0	114.7	H156 C186 L191 S206	H156-C189 VanDerWaalsContact CE1-SG 3.51Å; C186-C189 WeakPolarHBondContact CB-SG 3.35Å; C186-C189 PolarHBondContact SG-N 3.23Å; C189-L191 HydrophobicContact CB-CG 4.38Å; C189-L191 PolarHBondContact O-N 2.8Å; C189-L191 VanDerWaalsContact O-N 3.1Å; C189-S206 WeakPolarHBondContact CB-OG 3.44Å
190	G	81.8	Confident	77.9	Confident	33 Å²	33	52 Å²	52	34%	0.34	26%	0.263	S	S	.	.			trans	72.7	-5.8	178.8	0	0	0	0	0	116.1	K185 C186	K185-G190 WeakPolarHBondContact CE-O 3.34Å; C186-G190 VanDerWaalsContact O-CA 3.24Å; C186-G190 WeakPolarHBondContact O-CA 3.49Å; C186-G190 PolarHBondContact O-N 2.99Å
191	L	87.9	Confident	78.5	Confident	66 Å²	66	47.7 Å²	47.7	35%	0.346	24%	0.236	S	C	.	.			trans	-70.3	160.7	179.5	-60.3	-179.5	0	0	0	112.8	D170 K185 C186 C189 Y193	D170-L191 HydrophobicContact CB-CB 4.08Å; D170-L191 HydrophobicContact CB-CD1 4.45Å; D170-L191 HydrophobicContact CB-CD2 4.26Å; D170-L191 HydrophobicContact CB-CG 4.49Å; D170-L191 WeakPolarHBondContact OD2-CA 3.25Å; K185-L191 CarbonylContact C-O 3.55Å; K185-L191 WeakPolarHBondContact CA-O 3.24Å; C186-L191 PolarHBondContact N-O 3.24Å; C189-L191 HydrophobicContact CB-CG 4.38Å; C189-L191 PolarHBondContact O-N 2.8Å; C189-L191 VanDerWaalsContact O-N 3.1Å; L191-Y193 HydrophobicContact CB-CE2 3.73Å; L191-Y193 WeakPolarHBondContact CB-OH 3.5Å; L191-Y193 WeakPolarHBondContact CD1-OH 3.27Å
192	N	86.7	Confident	78	Confident	24 Å²	24	42.9 Å²	42.9	13%	0.128	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	-162.7	-45.5	-87.8	0	0	0	109.5	Y163 T167 C169 D170 L176 L184	Y163-N192 HydrophobicContact CE1-CB 4.3Å; Y163-N192 VanDerWaalsContact CE1-OD1 3.23Å; Y163-N192 WeakPolarHBondContact CE1-OD1 3.36Å; Y163-N192 WeakPolarHBondContact OH-CB 3.05Å; Y163-N192 PolarHBondContact OH-OD1 3.46Å; T167-N192 HydrophobicContact CG2-CB 4.21Å; C169-N192 CarbonylContact C-O 3.54Å; C169-N192 WeakPolarHBondContact CA-O 3.11Å; D170-N192 PolarHBondContact N-O 3.39Å; D170-N192 PolarHBondContact OD2-N 3.33Å; D170-N192 PolarHBondContact OD2-ND2 3.38Å; L176-N192 HydrophobicContact CD1-CB 4.18Å; L184-N192 CarbonylContact O-C 3.56Å; L184-N192 WeakPolarHBondContact O-CA 3.48Å
193	Y	86.3	Confident	77.3	Confident	10 Å²	10	46 Å²	46	4%	0.039	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.7	-169	-54.6	-81.9	0	0	0	111.9	H156 L158 D170 G183 L184 C186 L191 I201	H156-Y193 PolarHBondContact CE1-OH 2.55Å; H156-Y193 AromaticContact ND1-CE2 3.99Å; H156-Y193 PolarHBondContact ND1-OH 2.97Å; L158-Y193 HydrophobicContact CD2-CD2 3.76Å; L158-Y193 HydrophobicContact CD2-CE2 4Å; D170-Y193 HydrophobicContact CB-CE1 4.18Å; G183-Y193 CarbonylContact C-O 3.57Å; G183-Y193 WeakPolarHBondContact CA-O 3.48Å; L184-Y193 PolarHBondContact N-O 3.29Å; L184-Y193 PolarHBondContact O-N 2.67Å; C186-Y193 HydrophobicContact CB-CE2 4.23Å; L191-Y193 HydrophobicContact CB-CE2 3.73Å; L191-Y193 WeakPolarHBondContact CB-OH 3.5Å; L191-Y193 WeakPolarHBondContact CD1-OH 3.27Å; Y193-I201 HydrophobicContact CD1-CD1 3.45Å; Y193-I201 VanDerWaalsContact CD1-CD1 3.45Å; Y193-I201 HydrophobicContact CD1-CG1 3.75Å; Y193-I201 HydrophobicContact CD2-CD1 3.64Å; Y193-I201 HydrophobicContact CE1-CD1 3.76Å; Y193-I201 HydrophobicContact CE1-CG1 3.82Å; Y193-I201 HydrophobicContact CE1-CG2 4.47Å; Y193-I201 HydrophobicContact CE2-CD1 3.94Å; Y193-I201 HydrophobicContact CG-CD1 3.36Å; Y193-I201 HydrophobicContact CG-CG1 4.2Å
194	H	80.3	Confident	76.6	Confident	9 Å²	9	51 Å²	51	4%	0.042	27%	0.271	C	S	.	.			trans	-67.4	151.3	164.2	-64.9	113.1	0	0	0	110.2	C169 E174 M175 L176 W177 R196 C197 A198	C169-H194 WeakPolarHBondContact CB-ND1 3.46Å; C169-H194 PolarHBondContact SG-N 2.79Å; C169-H194 VanDerWaalsContact SG-N 3.42Å; E174-H194 PolarHBondContact O-CE1 3.42Å; M175-H194 PolarHBondContact O-CE1 2.91Å; M175-H194 PolarHBondContact O-NE2 3.49Å; L176-H194 VanDerWaalsContact CD2-CD2 3.48Å; L176-H194 WeakPolarHBondContact CD2-CD2 3.49Å; W177-H194 AromaticContact CD1-NE2 3.88Å; W177-H194 AromaticContact NE1-NE2 3.69Å; H194-R196 VanDerWaalsContact C-N 3.34Å; H194-R196 HydrophobicContact CB-CG 3.62Å; H194-R196 PolarHBondContact CE1-NH2 2.94Å; H194-R196 PolarHBondContact ND1-NH2 3.36Å; H194-R196 VanDerWaalsContact ND1-NH2 3.18Å; H194-R196 PolarHBondContact O-N 2.92Å; H194-C197 HydrophobicContact CB-CB 4.21Å; H194-C197 WeakPolarHBondContact O-CB 3.29Å; H194-C197 PolarHBondContact O-N 2.84Å; H194-A198 PolarHBondContact O-N 2.83Å
195	K	77.2	Confident	76.1	Confident	106 Å²	106	50.7 Å²	50.7	46%	0.461	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-55.1	-48.6	169.7	-64.5	167.8	-174.8	163.2	0	111.3	R181 L184 C197 A198	R181-K195 VanDerWaalsContact O-CE 3.26Å; R181-K195 WeakPolarHBondContact O-CE 3.44Å; R181-K195 PolarHBondContact O-NZ 2.78Å; L184-K195 HydrophobicContact CD1-CG 4.49Å; L184-K195 HydrophobicContact CD2-CG 4.14Å; L184-K195 HydrophobicContact CG-CG 4.02Å; K195-C197 PolarHBondContact O-N 2.79Å; K195-A198 WeakPolarHBondContact O-CB 3.41Å; K195-A198 PolarHBondContact O-N 2.76Å
196	R	75.5	Confident	75.1	Confident	89 Å²	89	52.4 Å²	52.4	34%	0.336	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61.7	3.3	172	63.6	158.8	-169.1	177.9	6.2	116.2	E174 H194 F199	E174-R196 IonicContact OE2-CZ 3.75Å; E174-R196 IonicContact OE2-NH1 3.97Å; E174-R196 IonicContact OE2-NH2 3.08Å; E174-R196 PolarHBondContact OE2-NH2 2.92Å; H194-R196 VanDerWaalsContact C-N 3.34Å; H194-R196 HydrophobicContact CB-CG 3.62Å; H194-R196 PolarHBondContact CE1-NH2 2.94Å; H194-R196 PolarHBondContact ND1-NH2 3.36Å; H194-R196 VanDerWaalsContact ND1-NH2 3.18Å; H194-R196 PolarHBondContact O-N 2.92Å; R196-F199 WeakPolarHBondContact O-CZ 3.14Å
197	C	73.4	Confident	73.8	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.027	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-116.6	-10.9	175	-66	0	0	0	0	112.4	Y171 H194 K195 F199 K200 I201	Y171-C197 HydrophobicContact CD1-CB 3.75Å; Y171-C197 HydrophobicContact CE1-CB 4.26Å; H194-C197 HydrophobicContact CB-CB 4.21Å; H194-C197 WeakPolarHBondContact O-CB 3.29Å; H194-C197 PolarHBondContact O-N 2.84Å; K195-C197 PolarHBondContact O-N 2.79Å; C197-F199 VanDerWaalsContact C-N 3.35Å; C197-F199 PolarHBondContact O-N 2.9Å; C197-K200 PolarHBondContact O-N 3.31Å; C197-I201 WeakPolarHBondContact O-CG1 3.37Å; C197-I201 PolarHBondContact O-N 2.8Å
198	A	68.4	Low	72.4	Confident	34 Å²	34	54.9 Å²	54.9	28%	0.281	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-53	-50.2	-173.6	0	0	0	0	0	112.7	L158 L184 H194 K195 K200 I201	L158-A198 HydrophobicContact CD1-CB 3.91Å; L184-A198 HydrophobicContact CD1-CB 3.65Å; H194-A198 PolarHBondContact O-N 2.83Å; K195-A198 WeakPolarHBondContact O-CB 3.41Å; K195-A198 PolarHBondContact O-N 2.76Å; A198-K200 PolarHBondContact O-N 2.87Å; A198-I201 PolarHBondContact O-N 2.78Å
199	F	57.9	Low	70.6	Confident	112 Å²	112	61.2 Å²	61.2	49%	0.491	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-71.9	-6.8	179.3	56.1	-92.6	0	0	0	114.5	R196 C197 D337	R196-F199 WeakPolarHBondContact O-CZ 3.14Å; C197-F199 VanDerWaalsContact C-N 3.35Å; C197-F199 PolarHBondContact O-N 2.9Å; F199-D337 VanDerWaalsContact CE1-OD2 3.29Å; F199-D337 WeakPolarHBondContact CE1-OD2 3.24Å; F199-D337 WeakPolarHBondContact CZ-OD2 3.39Å
200	K	67.6	Low	68.7	Low	71 Å²	71	69.6 Å²	69.6	31%	0.309	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-105.2	-6.2	176.3	-55.7	-160.6	173.3	-163.6	0	113.8	Y171 C197 A198 P202 S333	Y171-K200 HydrophobicContact CE1-CB 3.83Å; Y171-K200 HydrophobicContact CE1-CD 4.36Å; Y171-K200 HydrophobicContact CE2-CB 4.33Å; Y171-K200 WeakPolarHBondContact OH-CB 3.39Å; C197-K200 PolarHBondContact O-N 3.31Å; A198-K200 PolarHBondContact O-N 2.87Å; K200-P202 WeakPolarHBondContact O-CD 3.46Å; K200-S333 PolarHBondContact NZ-OG 3.37Å
201	I	68.6	Low	66.4	Low	13 Å²	13	79.2 Å²	79.2	7%	0.067	39%	0.389	C	S	.	.	S	Bend	trans	-71.7	123.6	176.1	-64.2	157.2	0	0	0	107.7	H156 L158 Y193 C197 A198	H156-I201 HydrophobicContact CB-CG2 4.45Å; L158-I201 HydrophobicContact CD1-CD1 3.81Å; Y193-I201 HydrophobicContact CD1-CD1 3.45Å; Y193-I201 VanDerWaalsContact CD1-CD1 3.45Å; Y193-I201 HydrophobicContact CD1-CG1 3.75Å; Y193-I201 HydrophobicContact CD2-CD1 3.64Å; Y193-I201 HydrophobicContact CE1-CD1 3.76Å; Y193-I201 HydrophobicContact CE1-CG1 3.82Å; Y193-I201 HydrophobicContact CE1-CG2 4.47Å; Y193-I201 HydrophobicContact CE2-CD1 3.94Å; Y193-I201 HydrophobicContact CG-CD1 3.36Å; Y193-I201 HydrophobicContact CG-CG1 4.2Å; C197-I201 WeakPolarHBondContact O-CG1 3.37Å; C197-I201 PolarHBondContact O-N 2.8Å; A198-I201 PolarHBondContact O-N 2.78Å
202	P	62.8	Low	63.6	Low	71 Å²	71	87.3 Å²	87.3	46%	0.461	42%	0.415	S	S	.	.			trans	-61.3	144.8	175.6	25.1	-33.4	0	0	0	110.5	K200 N204	K200-P202 WeakPolarHBondContact O-CD 3.46Å; P202-N204 PolarHBondContact O-N 3.22Å; P202-N204 PolarHBondContact O-OD1 3.33Å
203	N	61.2	Low	60.8	Low	89 Å²	89	93.8 Å²	93.8	48%	0.476	45%	0.448	S	S	.	.	S	Bend	trans	-79.7	61.7	-178.9	-70.5	-44.6	0	0	0	111.6	I153 R154 P155	I153-N203 HydrophobicContact CG2-CB 3.31Å; R154-N203 CarbonylContact C-O 3.47Å; R154-N203 WeakPolarHBondContact CA-O 3.21Å; R154-N203 PolarHBondContact N-O 3.35Å; R154-N203 CarbonylContact O-C 2.97Å; R154-N203 WeakPolarHBondContact O-CA 3.32Å; R154-N203 VanDerWaalsContact O-O 3.13Å; P155-N203 VanDerWaalsContact CA-OD1 3.27Å; P155-N203 WeakPolarHBondContact CA-OD1 3.44Å; P155-N203 WeakPolarHBondContact CB-OD1 3.49Å
204	N	69.7	Low	58	Low	106 Å²	106	98.3 Å²	98.3	57%	0.567	48%	0.482	S	S	*	.	B	Isolated β-bridge	trans	-125	34.6	-176.8	66.3	1.9	0	0	0	113	R154 P202 S206	R154-N204 PolarHBondContact O-N 3.18Å; P202-N204 PolarHBondContact O-N 3.22Å; P202-N204 PolarHBondContact O-OD1 3.33Å; N204-S206 PolarHBondContact O-N 3.37Å
205	C	76.3	Confident	55.6	Low	11 Å²	11	105.4 Å²	105.4	7%	0.074	52%	0.52	C	S	.	.			trans	-57.1	122	-169.8	-158	0	0	0	0	113.3	R154 H156 C186 G207	R154-C205 WeakPolarHBondContact O-CB 3.24Å; R154-C205 PolarHBondContact O-N 3.11Å; H156-C205 VanDerWaalsContact CD2-CB 3.43Å; H156-C205 WeakPolarHBondContact CD2-CB 3.16Å; H156-C205 VanDerWaalsContact NE2-CA 3.32Å; H156-C205 WeakPolarHBondContact NE2-CA 3.5Å; C186-C205 VanDerWaalsContact SG-SG 3.69Å; C205-G207 VanDerWaalsContact C-N 3.25Å; C205-G207 PolarHBondContact O-N 2.9Å
206	S	67.4	Low	53.4	Low	96 Å²	96	107.6 Å²	107.6	67%	0.671	54%	0.542	S	S	*	.			trans	-75.9	-9.2	177.1	55.4	0	0	0	0	114.2	C189 N204 V208	C189-S206 WeakPolarHBondContact CB-OG 3.44Å; N204-S206 PolarHBondContact O-N 3.37Å; S206-V208 PolarHBondContact O-N 3.46Å
207	G	62.7	Low	51	Low	21 Å²	21	108 Å²	108	22%	0.216	56%	0.559	C	S	.	*			trans	-80.8	106.7	-175.1	0	0	0	0	0	113.9	G188 C205 R209	G188-G207 VanDerWaalsContact C-CA 3.42Å; G188-G207 WeakPolarHBondContact O-CA 3.07Å; C205-G207 VanDerWaalsContact C-N 3.25Å; C205-G207 PolarHBondContact O-N 2.9Å; G207-R209 PolarHBondContact O-N 3.49Å
208	V	48.4	Very low	48.7	Very low	129 Å²	129	115.6 Å²	115.6	78%	0.782	60%	0.598	S	S	*	*			trans	-75	111.4	176.4	-179	0	0	0	0	111.2	S206	S206-V208 PolarHBondContact O-N 3.46Å
209	R	42.5	Very low	47.1	Very low	163 Å²	163	119.6 Å²	119.6	62%	0.615	62%	0.621	S	S	*	*			trans	-120.5	117.4	153.3	-86	-167.6	173.2	-175.1	5.8	110.4	E187 G207 R211	E187-R209 VanDerWaalsContact CD-NH2 3.25Å; E187-R209 IonicContact OE1-CZ 2.66Å; E187-R209 IonicContact OE1-NH1 3.94Å; E187-R209 PolarHBondContact OE1-NH1 2.67Å; E187-R209 IonicContact OE1-NH2 1.76Å; E187-R209 PolarHBondContact OE1-NH2 3.28Å; E187-R209 IonicContact OE2-CZ 3.57Å; E187-R209 IonicContact OE2-NH1 2.73Å; E187-R209 PolarHBondContact OE2-NH1 3.29Å; E187-R209 IonicContact OE2-NH2 3.56Å; G207-R209 PolarHBondContact O-N 3.49Å; R209-R211 PolarHBondContact O-N 2.94Å; R209-R211 VanDerWaalsContact O-N 3.08Å
210	K	40.5	Very low	45.5	Very low	204 Å²	204	117.9 Å²	117.9	89%	0.887	64%	0.635	S	S	*	*			trans	-62.3	106.6	171.2	-72.2	179.7	174.9	178.7	0	109.7
211	R	33.6	Very low	43.6	Very low	236 Å²	236	119.9 Å²	119.9	89%	0.891	66%	0.664	S	S	*	*			trans	-82.4	112.4	157.3	-76.5	-174.3	173.6	176.8	-1.4	107.9	R209	R209-R211 PolarHBondContact O-N 2.94Å; R209-R211 VanDerWaalsContact O-N 3.08Å
212	R	28.9	Very low	41.5	Very low	235 Å²	235	122.3 Å²	122.3	89%	0.887	69%	0.693	S	S	*	*			trans	-91	120.7	173.6	-174.2	-178.8	-172.2	-116	3.9	108.6
213	L	27.3	Very low	39.9	Very low	160 Å²	160	127.2 Å²	127.2	84%	0.838	71%	0.714	S	S	*	*			trans	-129.3	148	167	-61.7	172.2	0	0	0	106.1
214	S	28.3	Very low	38.1	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	72%	0.724	S	S	*	*			cis	-139.2	-162.2	5.8	57	0	0	0	0	111.7
215	N	30.1	Very low	36.1	Very low	159 Å²	159	129.5 Å²	129.5	85%	0.85	74%	0.739	S	S	*	*			trans	-76.5	138.5	-163.1	-54.5	-25.3	0	0	0	115.2
216	V	29.6	Very low	33.9	Very low	151 Å²	151	134.6 Å²	134.6	92%	0.915	77%	0.772	S	S	*	*			trans	-144.5	151.4	149.9	-173.3	0	0	0	0	107.9
217	S	25.6	Very low	31.8	Very low	99 Å²	99	140.2 Å²	140.2	69%	0.692	78%	0.779	S	S	*	*			trans	-104.4	150.8	-158	-48.6	0	0	0	0	116.4
218	L	25.4	Very low	30.3	Very low	163 Å²	163	145.1 Å²	145.1	85%	0.853	81%	0.806	S	S	*	*			trans	67.5	162.6	154.2	-64.2	159.4	0	0	0	118
219	P	34.4	Very low	29.1	Very low	117 Å²	117	142.9 Å²	142.9	76%	0.76	79%	0.793	S	S	*	*			cis	-137.3	155.2	-42.9	36.8	-21.8	0	0	0	115.2
220	G	24.5	Very low	28.4	Very low	76 Å²	76	143.6 Å²	143.6	78%	0.784	80%	0.803	S	S	*	*			trans	92.4	148.4	146	0	0	0	0	0	119.2
221	A	27.2	Very low	27.7	Very low	113 Å²	113	138.8 Å²	138.8	93%	0.934	80%	0.801	S	S	*	*			trans	59.3	143.7	179.2	0	0	0	0	0	116.8
222	G	25.5	Very low	27.2	Very low	64 Å²	64	136.1 Å²	136.1	66%	0.66	80%	0.799	S	S	*	*			cis	151.1	144.4	-4.8	0	0	0	0	0	110.9
223	L	27.8	Very low	27	Very low	174 Å²	174	130.6 Å²	130.6	91%	0.911	80%	0.795	S	S	*	*			trans	67.8	156.8	-179.4	-51.2	171.9	0	0	0	114.9
224	S	24.9	Very low	26.8	Very low	97 Å²	97	130.1 Å²	130.1	68%	0.678	80%	0.799	S	S	*	*			cis	170.2	139.5	-46.8	52.5	0	0	0	0	108.3
225	V	27.6	Very low	26.6	Very low	147 Å²	147	130 Å²	130	89%	0.891	80%	0.804	S	S	*	*			trans	-172.9	152.6	153.4	130.9	0	0	0	0	110.4
226	P	29.3	Very low	26.4	Very low	117 Å²	117	128.5 Å²	128.5	76%	0.76	81%	0.806	S	S	*	*			trans	-119.3	-175.9	-157.1	41.9	-30.1	0	0	0	117.9
227	R	23.9	Very low	26.2	Very low	215 Å²	215	126.2 Å²	126.2	81%	0.811	80%	0.803	S	S	*	*			trans	-48	158.3	167.3	-96.1	179.2	159.5	178.2	-7.1	114.4	V229	R227-V229 HydrophobicContact CB-CG2 4.34Å; R227-V229 HydrophobicContact CG-CG2 3.81Å
228	P	30.9	Very low	26	Very low	123 Å²	123	126.1 Å²	126.1	80%	0.799	80%	0.803	S	S	*	*				-114.3	179.8	52.5	3.3	20.4	0	0	0	114.8
229	V	24.3	Very low	26	Very low	82 Å²	82	126.6 Å²	126.6	50%	0.497	80%	0.8	S	S	.	*			cis	101.5	119.9	0.3	-177.8	0	0	0	0	119.2	R227	R227-V229 HydrophobicContact CB-CG2 4.34Å; R227-V229 HydrophobicContact CG-CG2 3.81Å
230	Q	26.3	Very low	25.5	Very low	179 Å²	179	129.7 Å²	129.7	84%	0.836	81%	0.805	S	S	*	*			trans	59.7	129.4	158.2	-81	173.4	-37.8	0	0	123.7
231	A	25.6	Very low	25.3	Very low	102 Å²	102	137.2 Å²	137.2	84%	0.843	81%	0.809	S	S	*	*				-162.9	156.6	128.2	0	0	0	0	0	110
232	E	24.2	Very low	25	Very low	181 Å²	181	137.7 Å²	137.7	85%	0.846	81%	0.805	S	S	*	*			trans	-124.4	169.4	-177.3	-70.3	-173.6	127	0	0	113.8
233	C	23.5	Very low	24.8	Very low	119 Å²	119	140.1 Å²	140.1	80%	0.804	81%	0.81	S	S	*	*			trans	-7.7	140.9	170.8	-66	0	0	0	0	121.8
234	T	23.1	Very low	24.6	Very low	150 Å²	150	138.1 Å²	138.1	92%	0.92	81%	0.808	S	S	*	*				-158.9	166	121.3	3.6	0	0	0	0	110.9
235	A	25.5	Very low	24.5	Very low	101 Å²	101	141.5 Å²	141.5	84%	0.835	81%	0.813	S	S	*	*			trans	-151.3	150.1	-176.5	0	0	0	0	0	112.8
236	S	24.9	Very low	24.7	Very low	128 Å²	128	139.5 Å²	139.5	90%	0.895	80%	0.803	S	S	*	*			trans	-163.5	165.2	163	54.8	0	0	0	0	109.9
237	A	24.9	Very low	24.4	Very low	104 Å²	104	138.3 Å²	138.3	86%	0.86	80%	0.797	S	S	*	*			trans	-148.2	166	-170.1	0	0	0	0	0	112.8
238	S	22.5	Very low	24.5	Very low	97 Å²	97	138 Å²	138	68%	0.678	80%	0.802	S	S	*	*			trans	-155.2	138.8	167	53.7	0	0	0	0	112.9
239	E	25.1	Very low	24.2	Very low	173 Å²	173	144.1 Å²	144.1	81%	0.808	81%	0.809	S	S	*	*			trans	59.4	147.5	131.6	-64.9	159.3	179.4	0	0	120.9
240	E	23.5	Very low	24.3	Very low	181 Å²	181	147.7 Å²	147.7	85%	0.846	82%	0.824	S	S	*	*			cis	-154.5	-164.3	-10	-130.6	-169.1	166.1	0	0	112.8
241	R	21.6	Very low	24.4	Very low	235 Å²	235	144.7 Å²	144.7	89%	0.887	82%	0.819	S	S	*	*			trans	-89.4	166	-177	-64.8	175.6	178.8	164	0.3	111.7
242	C	19.5	Very low	24.5	Very low	123 Å²	123	145.4 Å²	145.4	83%	0.831	82%	0.818	S	S	*	*				-168.7	179.7	50.7	-161.1	0	0	0	0	112.8
243	C	21.3	Very low	24.7	Very low	115 Å²	115	149 Å²	149	78%	0.777	82%	0.824	S	S	*	*			trans	-127.8	162	-178.9	-54.8	0	0	0	0	112.8
244	P	25.1	Very low	25	Very low	132 Å²	132	149.1 Å²	149.1	86%	0.857	83%	0.826	S	S	*	*				-143.1	170.3	107	38	-23.9	0	0	0	116.2
245	E	22.2	Very low	25.4	Very low	168 Å²	168	145.7 Å²	145.7	79%	0.785	82%	0.821	S	S	*	*			trans	-91.5	-178.8	175.8	-116.2	-146.9	-137.4	0	0	111.6
246	P	30.9	Very low	25.8	Very low	105 Å²	105	151 Å²	151	68%	0.682	82%	0.82	S	S	*	*			cis	-140	169.1	19.8	42.3	-23.1	0	0	0	120.1
247	S	24	Very low	26.3	Very low	92 Å²	92	148.7 Å²	148.7	64%	0.643	80%	0.802	S	S	*	*			trans	60.6	97.6	146.9	-72.7	0	0	0	0	121.7
248	K	25.1	Very low	26.9	Very low	208 Å²	208	150.5 Å²	150.5	90%	0.904	80%	0.796	S	S	*	*				179.7	131.5	105.7	-94.5	157.9	-172.7	171.9	0	111.6
249	R	25.1	Very low	27.6	Very low	251 Å²	251	154.1 Å²	154.1	95%	0.947	79%	0.794	S	S	*	*			trans	-91.8	134	175.6	-69.6	-178.6	179.6	166.2	0.7	111.5
250	I	26.2	Very low	28.1	Very low	158 Å²	158	149.7 Å²	149.7	81%	0.81	78%	0.775	S	S	*	*			trans	-123.1	128.6	159.6	-60.7	176.5	0	0	0	106.6
251	P	28.5	Very low	28.7	Very low	115 Å²	115	147.9 Å²	147.9	75%	0.747	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-77.1	141.2	174.6	31.2	-32.8	0	0	0	111.3
252	S	27.3	Very low	29.2	Very low	117 Å²	117	143.5 Å²	143.5	82%	0.818	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-72.8	162.3	176.1	40	0	0	0	0	112.9
253	W	29.9	Very low	30.1	Very low	256 Å²	256	142.4 Å²	142.4	97%	0.97	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-76.4	144.3	-167.8	-59.2	-6.8	0	0	0	114.4
254	S	29.5	Very low	30.9	Very low	122 Å²	122	141.5 Å²	141.5	85%	0.853	73%	0.728	S	S	*	*			trans	-150.9	100.2	148.8	40.2	0	0	0	0	109
255	G	31	Very low	31.4	Very low	79 Å²	79	141.6 Å²	141.6	81%	0.814	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-80	151.1	-175.8	0	0	0	0	0	113.2
256	R	34.3	Very low	32	Very low	211 Å²	211	138.3 Å²	138.3	80%	0.796	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-84.5	149	170.2	-66.5	-176.6	179.2	-169.6	-1.4	110.6
257	P	35.5	Very low	32.6	Very low	80 Å²	80	140.8 Å²	140.8	52%	0.519	71%	0.711	S	S	.	*	P	Polyproline II helix	trans	-72.5	138.4	179.4	27.2	-32.4	0	0	0	112.7	W259 M260	P257-W259 PolarHBondContact O-N 3.4Å; P257-M260 WeakPolarHBondContact O-CB 3.35Å; P257-M260 PolarHBondContact O-N 3.06Å; P257-M260 VanDerWaalsContact O-N 3.1Å
258	I	36.5	Very low	33.5	Very low	143 Å²	143	142.8 Å²	142.8	73%	0.733	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-28	-167.8	-64.7	164.1	0	0	0	114.1	M260 E261	I258-M260 PolarHBondContact O-N 3.18Å; I258-M260 VanDerWaalsContact O-N 3.13Å; I258-E261 PolarHBondContact O-N 3.35Å
259	W	37.8	Very low	34.6	Very low	172 Å²	172	139.7 Å²	139.7	65%	0.652	71%	0.706	S	S	*	*	H	α-helix	trans	-58.2	-29.7	178.8	95.4	-68.5	0	0	0	113.1	P257 E261 K262 M263	P257-W259 PolarHBondContact O-N 3.4Å; W259-E261 PolarHBondContact O-N 2.69Å; W259-K262 PolarHBondContact O-N 3.46Å; W259-M263 HydrophobicContact CE3-SD 4Å; W259-M263 HydrophobicContact CH2-SD 3.73Å; W259-M263 HydrophobicContact CZ2-SD 4.25Å; W259-M263 HydrophobicContact CZ3-SD 3.59Å; W259-M263 VanDerWaalsContact CZ3-SD 3.59Å
260	M	36	Very low	35.8	Very low	81 Å²	81	131.3 Å²	131.3	40%	0.399	68%	0.682	S	S	.	*	H	α-helix	trans	-71.7	-26.6	-174.5	-165.3	173	-74	0	0	112.9	P257 I258	P257-M260 WeakPolarHBondContact O-CB 3.35Å; P257-M260 PolarHBondContact O-N 3.06Å; P257-M260 VanDerWaalsContact O-N 3.1Å; I258-M260 PolarHBondContact O-N 3.18Å; I258-M260 VanDerWaalsContact O-N 3.13Å
261	E	35.3	Very low	37.8	Very low	142 Å²	142	127.1 Å²	127.1	66%	0.664	67%	0.666	S	S	*	*	H	α-helix	trans	-72	-35.3	173.6	-66.9	-172.1	120.9	0	0	111.7	I258 W259 M263 V264	I258-E261 PolarHBondContact O-N 3.35Å; W259-E261 PolarHBondContact O-N 2.69Å; E261-M263 VanDerWaalsContact C-N 3.31Å; E261-M263 PolarHBondContact O-N 3.32Å; E261-V264 PolarHBondContact O-N 3.41Å; E261-V264 VanDerWaalsContact O-N 3.13Å
262	K	32.6	Very low	40.2	Very low	144 Å²	144	122.9 Å²	122.9	63%	0.626	64%	0.636	S	S	*	*	H	α-helix	trans	-66.7	-31.9	-176.7	-150.5	176.3	-175.4	-174.5	0	112.4	W259 V264	W259-K262 PolarHBondContact O-N 3.46Å; K262-V264 VanDerWaalsContact C-N 3.33Å; K262-V264 PolarHBondContact O-N 2.82Å
263	M	37.4	Very low	42.9	Very low	100 Å²	100	120.7 Å²	120.7	49%	0.493	62%	0.617	S	S	.	*	H	α-helix	trans	-70.2	-23.6	174.7	-65.1	-176.1	77.3	0	0	114	W259 E261	W259-M263 HydrophobicContact CE3-SD 4Å; W259-M263 HydrophobicContact CH2-SD 3.73Å; W259-M263 HydrophobicContact CZ2-SD 4.25Å; W259-M263 HydrophobicContact CZ3-SD 3.59Å; W259-M263 VanDerWaalsContact CZ3-SD 3.59Å; E261-M263 VanDerWaalsContact C-N 3.31Å; E261-M263 PolarHBondContact O-N 3.32Å
264	V	39.6	Very low	45.7	Very low	96 Å²	96	110.7 Å²	110.7	58%	0.582	58%	0.581	S	S	*	*	H	α-helix	trans	-80.2	-30	-177.8	177.1	0	0	0	0	111.6	E261 K262 C266	E261-V264 PolarHBondContact O-N 3.41Å; E261-V264 VanDerWaalsContact O-N 3.13Å; K262-V264 VanDerWaalsContact C-N 3.33Å; K262-V264 PolarHBondContact O-N 2.82Å; V264-C266 PolarHBondContact O-N 3.48Å
265	L	34.1	Very low	48.4	Very low	133 Å²	133	106.5 Å²	106.5	70%	0.696	55%	0.554	S	S	*	*	H	α-helix	trans	-74.4	-21.9	-174.9	-73.8	166.7	0	0	0	114.5
266	C	35.2	Very low	51.2	Low	100 Å²	100	106.2 Å²	106.2	68%	0.676	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	2.8	-176.2	-63.2	0	0	0	0	115	V264	V264-C266 PolarHBondContact O-N 3.48Å
267	R	44.4	Very low	53.3	Low	156 Å²	156	99.5 Å²	99.5	59%	0.589	51%	0.514	S	S	*	.	S	Bend	trans	-79.3	132	175.5	-68.9	-174.4	176.7	-166	-3.5	111.1	K269	R267-K269 PolarHBondContact O-N 2.97Å
268	V	42.7	Very low	55.5	Low	134 Å²	134	98.2 Å²	98.2	81%	0.812	51%	0.506	S	S	*	.			trans	-62.9	124.6	173.4	179.1	0	0	0	0	109.3	V270	V268-V270 HydrophobicContact CG1-CG2 4.47Å; V268-V270 PolarHBondContact O-N 3.37Å
269	K	46.9	Very low	57.4	Low	143 Å²	143	92.5 Å²	92.5	62%	0.622	48%	0.476	S	S	*	.			trans	-87.7	85.2	-170.5	-78	179.3	-177.2	173.8	0	112.1	R267 K319	R267-K269 PolarHBondContact O-N 2.97Å; K269-K319 CarbonylContact C-O 3.24Å; K269-K319 WeakPolarHBondContact CA-O 3.46Å; K269-K319 WeakPolarHBondContact CB-O 3.44Å
270	V	51.5	Low	58.9	Low	75 Å²	75	91.2 Å²	91.2	46%	0.455	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-79.7	129.6	179	-173.6	0	0	0	0	110.7	V268 K319 D320 C321	V268-V270 HydrophobicContact CG1-CG2 4.47Å; V268-V270 PolarHBondContact O-N 3.37Å; V270-K319 PolarHBondContact N-O 3.06Å; V270-K319 CarbonylContact O-C 3.58Å; V270-K319 VanDerWaalsContact O-O 3.12Å; V270-D320 PolarHBondContact O-N 2.82Å; V270-C321 VanDerWaalsContact O-CB 3.28Å; V270-C321 WeakPolarHBondContact O-CB 3.42Å; V270-C321 PolarHBondContact O-N 3.42Å
271	P	67.6	Low	60.5	Low	71 Å²	71	97 Å²	97	46%	0.461	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-73.1	146.7	175.4	30.6	-34.8	0	0	0	112.4	K319	P271-K319 HydrophobicContact CB-CB 4.34Å; P271-K319 HydrophobicContact CB-CD 4.17Å; P271-K319 HydrophobicContact CB-CG 4.08Å
272	H	79.1	Confident	62.3	Low	26 Å²	26	95.9 Å²	95.9	12%	0.12	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-70.6	131.2	176.6	-72.3	-87.1	0	0	0	113.5	F274 C302 C305 P318 C321	H272-F274 HydrophobicContact CB-CD2 3.81Å; H272-F274 HydrophobicContact CB-CE1 4.33Å; H272-F274 HydrophobicContact CB-CE2 3.38Å; H272-F274 HydrophobicContact CB-CG 4.45Å; H272-F274 HydrophobicContact CB-CZ 3.65Å; H272-F274 AromaticContact CG-CZ 3.89Å; H272-F274 PolarHBondContact O-N 3.08Å; H272-F274 VanDerWaalsContact O-N 3.13Å; H272-C302 HydrophobicContact CB-CB 4.17Å; H272-C302 VanDerWaalsContact CB-SG 3.52Å; H272-C302 PolarHBondContact ND1-SG 2.87Å; H272-C305 PolarHBondContact CE1-SG 3.29Å; H272-C305 PolarHBondContact ND1-SG 2.87Å; H272-P318 PolarHBondContact CD2-O 2.81Å; H272-P318 VanDerWaalsContact CD2-O 3.28Å; H272-C321 HydrophobicContact CB-CB 4.33Å; H272-C321 PolarHBondContact ND1-SG 2.82Å
273	T	83.5	Confident	64.5	Low	71 Å²	71	90.6 Å²	90.6	44%	0.436	49%	0.489	S	S	.	.			trans	-84.4	82.7	173.6	-43	0	0	0	0	111.2	C302 K303 D304	T273-C302 WeakPolarHBondContact O-CA 3.38Å; T273-K303 HydrophobicContact CG2-CD 4.22Å; T273-K303 PolarHBondContact O-N 2.88Å; T273-D304 WeakPolarHBondContact CB-OD2 3.4Å; T273-D304 PolarHBondContact N-OD2 2.65Å; T273-D304 PolarHBondContact OG1-OD1 2.91Å; T273-D304 PolarHBondContact OG1-OD2 3.06Å
274	F	89.2	Confident	66.8	Low	45 Å²	45	90.1 Å²	90.1	20%	0.197	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.1	-178.1	-75.2	-64.4	0	0	0	114.1	H272 M300 C302 F307 A314 V317	H272-F274 HydrophobicContact CB-CD2 3.81Å; H272-F274 HydrophobicContact CB-CE1 4.33Å; H272-F274 HydrophobicContact CB-CE2 3.38Å; H272-F274 HydrophobicContact CB-CG 4.45Å; H272-F274 HydrophobicContact CB-CZ 3.65Å; H272-F274 AromaticContact CG-CZ 3.89Å; H272-F274 PolarHBondContact O-N 3.08Å; H272-F274 VanDerWaalsContact O-N 3.13Å; F274-M300 HydrophobicContact CB-CB 4.1Å; F274-M300 HydrophobicContact CB-CE 3.91Å; F274-M300 HydrophobicContact CD1-CB 3.89Å; F274-M300 HydrophobicContact CG-CB 4.27Å; F274-C302 HydrophobicContact CD1-CB 4.04Å; F274-C302 HydrophobicContact CE1-CB 3.83Å; F274-C302 HydrophobicContact CZ-CB 4.49Å; F274-F307 HydrophobicContact CE1-CD1 4.09Å; F274-F307 HydrophobicContact CZ-CD1 4.05Å; F274-A314 HydrophobicContact CD2-CB 3.9Å; F274-A314 HydrophobicContact CE2-CB 4.28Å; F274-A314 HydrophobicContact CG-CB 4.19Å; F274-V317 HydrophobicContact CE2-CB 4.09Å; F274-V317 HydrophobicContact CE2-CG2 4.09Å; F274-V317 HydrophobicContact CZ-CB 4.06Å; F274-V317 HydrophobicContact CZ-CG1 4.16Å; F274-V317 HydrophobicContact CZ-CG2 3.8Å
275	A	87.1	Confident	69	Low	35 Å²	35	85.6 Å²	85.6	29%	0.289	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151	170.7	0	0	0	0	0	111.5	H277 M300 Q301 K303	A275-H277 PolarHBondContact O-N 3.39Å; A275-M300 CarbonylContact O-C 3.58Å; A275-M300 WeakPolarHBondContact O-CA 3.45Å; A275-Q301 PolarHBondContact N-O 3.46Å; A275-Q301 PolarHBondContact O-N 3.42Å; A275-K303 HydrophobicContact CB-CG 4.24Å
276	V	88.2	Confident	71.5	Confident	72 Å²	72	83.1 Å²	83.1	44%	0.436	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128.7	176.6	-178.9	0	0	0	0	109.7	R297 M300	V276-R297 HydrophobicContact CG1-CB 3.65Å; V276-R297 HydrophobicContact CG1-CG 3.75Å; V276-M300 HydrophobicContact CB-SD 4.2Å; V276-M300 HydrophobicContact CG2-CE 4.14Å; V276-M300 HydrophobicContact CG2-SD 3.56Å; V276-M300 VanDerWaalsContact CG2-SD 3.56Å
277	H	79.6	Confident	74	Confident	71 Å²	71	83.4 Å²	83.4	33%	0.329	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.5	-175.7	-167.2	84.4	0	0	0	112.3	A275 Y279 R297 Q298 G299 Q301	A275-H277 PolarHBondContact O-N 3.39Å; H277-Y279 HydrophobicContact CB-CE2 3.99Å; H277-Y279 AromaticContact CD2-CD1 3.76Å; H277-Y279 AromaticContact CD2-CE1 3.61Å; H277-Y279 AromaticContact CD2-CE2 3.87Å; H277-Y279 AromaticContact CD2-CG 3.98Å; H277-Y279 AromaticContact CD2-CZ 3.68Å; H277-R297 CarbonylContact O-C 3.58Å; H277-R297 VanDerWaalsContact O-CA 3.32Å; H277-R297 WeakPolarHBondContact O-CA 3.31Å; H277-Q298 PolarHBondContact O-N 3.43Å; H277-G299 PolarHBondContact N-O 2.92Å; H277-Q301 HydrophobicContact CB-CB 3.8Å
278	S	81.2	Confident	75.8	Confident	52 Å²	52	78 Å²	78	36%	0.364	42%	0.418	S	S	.	.			trans	-106.4	122.6	175.9	-66.4	0	0	0	0	109.6	R297	S278-R297 PolarHBondContact OG-N 2.91Å
279	Y	76.6	Confident	77.8	Confident	23 Å²	23	78.9 Å²	78.9	9%	0.09	41%	0.411	C	S	.	.			trans	-102.9	128.9	-173.4	-61.2	-94.6	0	0	0	110.9	H277 T283 L292 Q298 M300 N308	H277-Y279 HydrophobicContact CB-CE2 3.99Å; H277-Y279 AromaticContact CD2-CD1 3.76Å; H277-Y279 AromaticContact CD2-CE1 3.61Å; H277-Y279 AromaticContact CD2-CE2 3.87Å; H277-Y279 AromaticContact CD2-CG 3.98Å; H277-Y279 AromaticContact CD2-CZ 3.68Å; Y279-T283 HydrophobicContact CD1-CG2 3.65Å; Y279-T283 WeakPolarHBondContact CD1-OG1 3.34Å; Y279-T283 HydrophobicContact CE1-CG2 3.77Å; Y279-T283 HydrophobicContact CG-CG2 4.36Å; Y279-L292 HydrophobicContact CD1-CD1 4.46Å; Y279-L292 HydrophobicContact CD2-CD1 3.79Å; Y279-L292 HydrophobicContact CE1-CD1 4.11Å; Y279-L292 HydrophobicContact CE2-CD1 3.4Å; Y279-L292 HydrophobicContact CG-CD1 4.3Å; Y279-Q298 HydrophobicContact CD2-CB 4.28Å; Y279-Q298 PolarHBondContact O-NE2 2.9Å; Y279-Q298 VanDerWaalsContact O-NE2 3.12Å; Y279-M300 PolarHBondContact OH-O 3.04Å; Y279-N308 HydrophobicContact CE1-CB 4.16Å; Y279-N308 WeakPolarHBondContact CE1-OD1 3.47Å; Y279-N308 PolarHBondContact OH-OD1 2.74Å
280	T	69.5	Low	79.3	Confident	145 Å²	145	80.6 Å²	80.6	89%	0.89	41%	0.414	S	S	*	.	S	Bend	trans	-87.3	-8.4	-179.4	53	0	0	0	0	114.1
281	R	70	Confident	80.9	Confident	204 Å²	204	80.7 Å²	80.7	77%	0.77	41%	0.412	S	S	*	.	S	Bend	trans	-129.7	152.3	175.3	-67.1	-176.6	176.8	179.1	-1.2	110.4	T283	R281-T283 PolarHBondContact O-N 3Å; R281-T283 PolarHBondContact O-OG1 2.88Å
282	P	72.6	Confident	81.6	Confident	118 Å²	118	77.8 Å²	77.8	77%	0.766	39%	0.392	S	S	*	.			trans	-56.7	96.3	178.8	-26.6	36.3	0	0	0	112.9	L291	P282-L291 HydrophobicContact CB-CD1 3.92Å
283	T	79.6	Confident	81	Confident	33 Å²	33	85 Å²	85	20%	0.202	42%	0.423	C	S	.	.			trans	-103	138.8	-169.5	-60.4	0	0	0	0	111.2	Y279 R281 L291 L292 N308	Y279-T283 HydrophobicContact CD1-CG2 3.65Å; Y279-T283 WeakPolarHBondContact CD1-OG1 3.34Å; Y279-T283 HydrophobicContact CE1-CG2 3.77Å; Y279-T283 HydrophobicContact CG-CG2 4.36Å; R281-T283 PolarHBondContact O-N 3Å; R281-T283 PolarHBondContact O-OG1 2.88Å; T283-L291 WeakPolarHBondContact O-CD1 3.38Å; T283-L292 HydrophobicContact CG2-CD1 3.96Å; T283-L292 WeakPolarHBondContact O-CB 3.13Å; T283-L292 WeakPolarHBondContact O-CG 3.15Å; T283-L292 PolarHBondContact O-N 2.87Å; T283-N308 HydrophobicContact CG2-CB 4.33Å
284	I	83.9	Confident	80	Confident	90 Å²	90	84.1 Å²	84.1	46%	0.462	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-99.7	136.3	-176.9	-63	177.2	0	0	0	110.5	Q286 K289 L291	I284-Q286 PolarHBondContact O-N 3.06Å; I284-Q286 VanDerWaalsContact O-N 3.16Å; I284-K289 VanDerWaalsContact CG2-C 3.41Å; I284-L291 HydrophobicContact CG1-CD1 4.11Å
285	C	87.1	Confident	78.5	Confident	0 Å²	0	89.2 Å²	89.2	0%	0	46%	0.457	C	S	.	.			trans	-62.2	112.8	171	176.5	0	0	0	0	109.9	Y287 C288 K289 R290 L292 N308 C309 H310	C285-Y287 PolarHBondContact O-N 3.12Å; C285-C288 PolarHBondContact O-N 2.69Å; C285-C288 PolarHBondContact SG-SG 2.96Å; C285-K289 WeakPolarHBondContact O-CA 3.45Å; C285-K289 PolarHBondContact O-N 3.38Å; C285-R290 WeakPolarHBondContact CB-O 3.45Å; C285-R290 PolarHBondContact N-O 2.77Å; C285-L292 HydrophobicContact CB-CD2 3.79Å; C285-N308 CarbonylContact C-O 3.58Å; C285-C309 VanDerWaalsContact SG-CA 3.54Å; C285-H310 VanDerWaalsContact CB-CE1 3.46Å; C285-H310 WeakPolarHBondContact CB-CE1 3.4Å; C285-H310 WeakPolarHBondContact CB-ND1 3.41Å; C285-H310 PolarHBondContact SG-N 3.37Å; C285-H310 VanDerWaalsContact SG-N 3.36Å; C285-H310 PolarHBondContact SG-ND1 3.33Å
286	Q	86.9	Confident	77.4	Confident	82 Å²	82	95.4 Å²	95.4	38%	0.383	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.4	-175.4	-72.9	170.7	-39.5	0	0	113.2	I284 K289 F307 N308	I284-Q286 PolarHBondContact O-N 3.06Å; I284-Q286 VanDerWaalsContact O-N 3.16Å; Q286-K289 WeakPolarHBondContact O-CD 3.43Å; Q286-K289 VanDerWaalsContact O-CE 3.3Å; Q286-K289 WeakPolarHBondContact O-CE 3.49Å; Q286-K289 PolarHBondContact O-NZ 2.88Å; Q286-F307 HydrophobicContact CB-CD2 4.3Å; Q286-F307 HydrophobicContact CB-CE1 4.08Å; Q286-F307 HydrophobicContact CB-CE2 3.78Å; Q286-F307 HydrophobicContact CB-CZ 3.65Å; Q286-F307 VanDerWaalsContact OE1-CA 3.27Å; Q286-N308 PolarHBondContact N-O 2.76Å
287	Y	87.6	Confident	76.9	Confident	105 Å²	105	100.2 Å²	100.2	41%	0.412	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-65.5	171.9	-179.7	-100	0	0	0	112.4	C285 C313 K316 V317	C285-Y287 PolarHBondContact O-N 3.12Å; Y287-C313 HydrophobicContact CD1-CB 3.96Å; Y287-K316 HydrophobicContact CE1-CB 3.95Å; Y287-K316 HydrophobicContact CE2-CB 4.33Å; Y287-K316 WeakPolarHBondContact CE2-O 3.44Å; Y287-V317 HydrophobicContact CD2-CG2 4.47Å
288	C	80.8	Confident	76.9	Confident	43 Å²	43	98 Å²	98	29%	0.291	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.7	-172.3	73.7	0	0	0	0	115.1	C285 R290 H310	C285-C288 PolarHBondContact O-N 2.69Å; C285-C288 PolarHBondContact SG-SG 2.96Å; C288-R290 PolarHBondContact O-N 3.27Å; C288-R290 VanDerWaalsContact O-N 3.12Å; C288-H310 PolarHBondContact SG-CE1 3.45Å; C288-H310 PolarHBondContact SG-ND1 3.02Å
289	K	85.7	Confident	77.2	Confident	152 Å²	152	95.5 Å²	95.5	66%	0.661	46%	0.46	S	S	*	.			trans	54.9	23.6	-179.9	-47.4	-56	-172.9	-172.3	0	115.4	I284 C285 Q286	I284-K289 VanDerWaalsContact CG2-C 3.41Å; C285-K289 WeakPolarHBondContact O-CA 3.45Å; C285-K289 PolarHBondContact O-N 3.38Å; Q286-K289 WeakPolarHBondContact O-CD 3.43Å; Q286-K289 VanDerWaalsContact O-CE 3.3Å; Q286-K289 WeakPolarHBondContact O-CE 3.49Å; Q286-K289 PolarHBondContact O-NZ 2.88Å
290	R	79.1	Confident	77.7	Confident	179 Å²	179	95.8 Å²	95.8	68%	0.675	46%	0.463	S	S	*	.			trans	-110.9	149	175.1	-62.6	178.8	-171	-169.2	2.1	111.4	C285 C288 H310	C285-R290 WeakPolarHBondContact CB-O 3.45Å; C285-R290 PolarHBondContact N-O 2.77Å; C288-R290 PolarHBondContact O-N 3.27Å; C288-R290 VanDerWaalsContact O-N 3.12Å; R290-H310 PolarHBondContact O-CE1 3.16Å
291	L	85.2	Confident	78.8	Confident	78 Å²	78	91 Å²	91	41%	0.408	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-56.8	140.1	-177.5	-163.4	73.8	0	0	0	113.2	P282 T283 I284 K293 H310	P282-L291 HydrophobicContact CB-CD1 3.92Å; T283-L291 WeakPolarHBondContact O-CD1 3.38Å; I284-L291 HydrophobicContact CG1-CD1 4.11Å; L291-K293 PolarHBondContact O-N 2.98Å; L291-H310 PolarHBondContact O-NE2 3.25Å
292	L	80.4	Confident	79.5	Confident	9 Å²	9	81.3 Å²	81.3	5%	0.047	39%	0.393	C	S	.	.			trans	-75.6	104.4	166.8	-56.7	-178.9	0	0	0	108.1	Y279 T283 C285 Q298 H310	Y279-L292 HydrophobicContact CD1-CD1 4.46Å; Y279-L292 HydrophobicContact CD2-CD1 3.79Å; Y279-L292 HydrophobicContact CE1-CD1 4.11Å; Y279-L292 HydrophobicContact CE2-CD1 3.4Å; Y279-L292 HydrophobicContact CG-CD1 4.3Å; T283-L292 HydrophobicContact CG2-CD1 3.96Å; T283-L292 WeakPolarHBondContact O-CB 3.13Å; T283-L292 WeakPolarHBondContact O-CG 3.15Å; T283-L292 PolarHBondContact O-N 2.87Å; C285-L292 HydrophobicContact CB-CD2 3.79Å; L292-Q298 HydrophobicContact CB-CB 3.88Å; L292-H310 HydrophobicContact CD2-CB 4.45Å; L292-H310 VanDerWaalsContact CD2-CD2 3.41Å; L292-H310 WeakPolarHBondContact CD2-CD2 3.33Å
293	K	66.8	Low	79.9	Confident	178 Å²	178	82.6 Å²	82.6	77%	0.774	39%	0.387	S	S	*	.			trans	-89.7	139.9	-175.7	-65.8	-166.6	175.2	-165.9	0	112	L291	L291-K293 PolarHBondContact O-N 2.98Å
294	G	62.6	Low	79.8	Confident	53 Å²	53	83.5 Å²	83.5	55%	0.546	39%	0.391	S	S	.	.	S	Bend	trans	133.2	167.7	176.5	0	0	0	0	0	112.3	Q298	G294-Q298 VanDerWaalsContact C-CG 3.44Å; G294-Q298 WeakPolarHBondContact O-CG 3.27Å; G294-Q298 PolarHBondContact O-NE2 3.12Å
295	L	59.1	Low	79.6	Confident	152 Å²	152	81.4 Å²	81.4	80%	0.796	38%	0.383	S	S	*	.	S	Bend	trans	-87.1	-34.1	175.9	-66.4	172.6	0	0	0	112.7	Q298	L295-Q298 VanDerWaalsContact C-NE2 3.33Å; L295-Q298 PolarHBondContact O-NE2 3.39Å
296	F	63	Low	79.4	Confident	165 Å²	165	88.8 Å²	88.8	72%	0.724	41%	0.411	S	S	*	.	S	Bend	trans	-138.6	157.1	178.4	-59.1	-77.8	0	0	0	110.9	Q298	F296-Q298 PolarHBondContact O-N 2.93Å; F296-Q298 VanDerWaalsContact O-N 3.11Å
297	R	77.9	Confident	79.4	Confident	172 Å²	172	87.2 Å²	87.2	65%	0.649	40%	0.403	S	S	*	.	S	Bend	trans	50.5	36.1	175.2	-66.8	-178.4	153.8	176.2	-5.6	113.8	V276 H277 S278 G299 K311	V276-R297 HydrophobicContact CG1-CB 3.65Å; V276-R297 HydrophobicContact CG1-CG 3.75Å; H277-R297 CarbonylContact O-C 3.58Å; H277-R297 VanDerWaalsContact O-CA 3.32Å; H277-R297 WeakPolarHBondContact O-CA 3.31Å; S278-R297 PolarHBondContact OG-N 2.91Å; R297-G299 PolarHBondContact O-N 3.34Å; R297-K311 WeakPolarHBondContact O-CE 3.35Å; R297-K311 PolarHBondContact O-NZ 3.16Å
298	Q	80.4	Confident	79.5	Confident	24 Å²	24	83.4 Å²	83.4	11%	0.112	39%	0.39	C	S	.	.			trans	-66.9	-19.6	-169	-56.2	92.9	-30.3	0	0	114.4	H277 Y279 L292 G294 L295 F296	H277-Q298 PolarHBondContact O-N 3.43Å; Y279-Q298 HydrophobicContact CD2-CB 4.28Å; Y279-Q298 PolarHBondContact O-NE2 2.9Å; Y279-Q298 VanDerWaalsContact O-NE2 3.12Å; L292-Q298 HydrophobicContact CB-CB 3.88Å; G294-Q298 VanDerWaalsContact C-CG 3.44Å; G294-Q298 WeakPolarHBondContact O-CG 3.27Å; G294-Q298 PolarHBondContact O-NE2 3.12Å; L295-Q298 VanDerWaalsContact C-NE2 3.33Å; L295-Q298 PolarHBondContact O-NE2 3.39Å; F296-Q298 PolarHBondContact O-N 2.93Å; F296-Q298 VanDerWaalsContact O-N 3.11Å
299	G	86.4	Confident	80	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	-165.9	-176.4	0	0	0	0	0	113.4	H277 R297 C309	H277-G299 PolarHBondContact N-O 2.92Å; R297-G299 PolarHBondContact O-N 3.34Å; G299-C309 CarbonylContact C-O 3.41Å; G299-C309 VanDerWaalsContact CA-O 3.29Å; G299-C309 WeakPolarHBondContact CA-O 3.35Å
300	M	87.9	Confident	80.3	Confident	30 Å²	30	75.2 Å²	75.2	15%	0.148	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.2	170.4	-53.1	-66.5	-77.9	0	0	108.9	F274 A275 V276 Y279 N308 C309 K311 A314	F274-M300 HydrophobicContact CB-CB 4.1Å; F274-M300 HydrophobicContact CB-CE 3.91Å; F274-M300 HydrophobicContact CD1-CB 3.89Å; F274-M300 HydrophobicContact CG-CB 4.27Å; A275-M300 CarbonylContact O-C 3.58Å; A275-M300 WeakPolarHBondContact O-CA 3.45Å; V276-M300 HydrophobicContact CB-SD 4.2Å; V276-M300 HydrophobicContact CG2-CE 4.14Å; V276-M300 HydrophobicContact CG2-SD 3.56Å; V276-M300 VanDerWaalsContact CG2-SD 3.56Å; Y279-M300 PolarHBondContact OH-O 3.04Å; M300-N308 WeakPolarHBondContact O-CA 3.47Å; M300-C309 PolarHBondContact N-O 3.41Å; M300-C309 PolarHBondContact O-N 3.1Å; M300-K311 HydrophobicContact CG-CB 4.38Å; M300-K311 HydrophobicContact CG-CG 3.95Å; M300-K311 HydrophobicContact SD-CG 3.85Å; M300-A314 HydrophobicContact CG-CB 4.25Å
301	Q	91.2	Very high	80.8	Confident	44 Å²	44	71.8 Å²	71.8	21%	0.206	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.2	168.4	-178.7	167.9	89.8	0	0	108.4	A275 H277 K303 R306 F307 N308	A275-Q301 PolarHBondContact N-O 3.46Å; A275-Q301 PolarHBondContact O-N 3.42Å; H277-Q301 HydrophobicContact CB-CB 3.8Å; Q301-K303 PolarHBondContact O-N 3.03Å; Q301-R306 HydrophobicContact CG-CB 4.42Å; Q301-F307 CarbonylContact C-O 3.54Å; Q301-F307 WeakPolarHBondContact CA-O 3.44Å; Q301-N308 WeakPolarHBondContact CG-OD1 3.44Å; Q301-N308 PolarHBondContact NE2-OD1 3.04Å
302	C	86.4	Confident	80.9	Confident	0 Å²	0	77 Å²	77	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123	169.7	-176.1	0	0	0	0	108.8	H272 T273 F274 D304 C305 R306 F307 C321	H272-C302 HydrophobicContact CB-CB 4.17Å; H272-C302 VanDerWaalsContact CB-SG 3.52Å; H272-C302 PolarHBondContact ND1-SG 2.87Å; T273-C302 WeakPolarHBondContact O-CA 3.38Å; F274-C302 HydrophobicContact CD1-CB 4.04Å; F274-C302 HydrophobicContact CE1-CB 3.83Å; F274-C302 HydrophobicContact CZ-CB 4.49Å; C302-D304 PolarHBondContact O-N 3.17Å; C302-D304 PolarHBondContact SG-OD2 3.16Å; C302-D304 VanDerWaalsContact SG-OD2 3.38Å; C302-C305 VanDerWaalsContact SG-SG 3.68Å; C302-R306 WeakPolarHBondContact O-CA 3.25Å; C302-R306 PolarHBondContact O-N 3.32Å; C302-F307 HydrophobicContact CB-CB 4Å; C302-F307 PolarHBondContact N-O 3Å; C302-C321 VanDerWaalsContact SG-SG 3.7Å
303	K	80.6	Confident	81.3	Confident	145 Å²	145	77.1 Å²	77.1	63%	0.63	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.2	177.8	-69.3	-174.8	177.1	-174.4	0	111.8	T273 A275 Q301	T273-K303 HydrophobicContact CG2-CD 4.22Å; T273-K303 PolarHBondContact O-N 2.88Å; A275-K303 HydrophobicContact CB-CG 4.24Å; Q301-K303 PolarHBondContact O-N 3.03Å
304	D	76.6	Confident	82.2	Confident	52 Å²	52	69.6 Å²	69.6	28%	0.278	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-10.4	-163.2	-26.4	-64.7	0	0	0	113.8	T273 C302 G323 E324	T273-D304 WeakPolarHBondContact CB-OD2 3.4Å; T273-D304 PolarHBondContact N-OD2 2.65Å; T273-D304 PolarHBondContact OG1-OD1 2.91Å; T273-D304 PolarHBondContact OG1-OD2 3.06Å; C302-D304 PolarHBondContact O-N 3.17Å; C302-D304 PolarHBondContact SG-OD2 3.16Å; C302-D304 VanDerWaalsContact SG-OD2 3.38Å; D304-G323 CarbonylContact O-C 3.54Å; D304-G323 WeakPolarHBondContact O-CA 3.24Å; D304-E324 PolarHBondContact O-N 3.15Å
305	C	79.2	Confident	83	Confident	46 Å²	46	72.3 Å²	72.3	31%	0.311	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.9	12.2	178.5	70.5	0	0	0	0	114.3	H272 C302 F307 C321	H272-C305 PolarHBondContact CE1-SG 3.29Å; H272-C305 PolarHBondContact ND1-SG 2.87Å; C302-C305 VanDerWaalsContact SG-SG 3.68Å; C305-F307 PolarHBondContact O-N 2.87Å; C305-C321 VanDerWaalsContact SG-SG 3.66Å
306	R	83.7	Confident	84.2	Confident	155 Å²	155	71.3 Å²	71.3	59%	0.585	33%	0.326	S	S	*	.			trans	56.2	19.3	177.4	-47.9	-176.1	-162.7	-164	4.3	115.6	Q301 C302 N308 E324	Q301-R306 HydrophobicContact CG-CB 4.42Å; C302-R306 WeakPolarHBondContact O-CA 3.25Å; C302-R306 PolarHBondContact O-N 3.32Å; R306-N308 VanDerWaalsContact O-CG 3.23Å; R306-N308 PolarHBondContact O-N 3.12Å; R306-N308 PolarHBondContact O-ND2 3.4Å; R306-N308 VanDerWaalsContact O-ND2 3.17Å; R306-N308 PolarHBondContact O-OD1 3.07Å; R306-N308 VanDerWaalsContact O-OD1 3.12Å; R306-E324 IonicContact CZ-OE1 3.64Å; R306-E324 IonicContact NE-OE1 3.56Å; R306-E324 PolarHBondContact NE-OE1 3.43Å; R306-E324 IonicContact NH2-OE1 2.79Å; R306-E324 PolarHBondContact NH2-OE1 2.95Å
307	F	87.3	Confident	85.1	Confident	50 Å²	50	64.1 Å²	64.1	22%	0.219	30%	0.296	C	S	.	.			trans	-62.9	126.2	175.7	-170.2	-83.1	0	0	0	111.2	F274 Q286 Q301 C302 C305 C309 V317	F274-F307 HydrophobicContact CE1-CD1 4.09Å; F274-F307 HydrophobicContact CZ-CD1 4.05Å; Q286-F307 HydrophobicContact CB-CD2 4.3Å; Q286-F307 HydrophobicContact CB-CE1 4.08Å; Q286-F307 HydrophobicContact CB-CE2 3.78Å; Q286-F307 HydrophobicContact CB-CZ 3.65Å; Q286-F307 VanDerWaalsContact OE1-CA 3.27Å; Q301-F307 CarbonylContact C-O 3.54Å; Q301-F307 WeakPolarHBondContact CA-O 3.44Å; C302-F307 HydrophobicContact CB-CB 4Å; C302-F307 PolarHBondContact N-O 3Å; C305-F307 PolarHBondContact O-N 2.87Å; F307-C309 HydrophobicContact CD1-CB 4.48Å; F307-C309 HydrophobicContact CE1-CB 4.2Å; F307-V317 HydrophobicContact CD1-CG1 4.21Å; F307-V317 HydrophobicContact CD1-CG2 4.47Å; F307-V317 HydrophobicContact CE1-CB 4.5Å; F307-V317 HydrophobicContact CE1-CG1 3.74Å; F307-V317 HydrophobicContact CE1-CG2 3.83Å; F307-V317 HydrophobicContact CZ-CG1 4.04Å
308	N	89.6	Confident	85	Confident	25 Å²	25	59.5 Å²	59.5	13%	0.134	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.8	-169.3	-61.6	-48.8	0	0	0	111.6	Y279 T283 C285 Q286 M300 Q301 R306	Y279-N308 HydrophobicContact CE1-CB 4.16Å; Y279-N308 WeakPolarHBondContact CE1-OD1 3.47Å; Y279-N308 PolarHBondContact OH-OD1 2.74Å; T283-N308 HydrophobicContact CG2-CB 4.33Å; C285-N308 CarbonylContact C-O 3.58Å; Q286-N308 PolarHBondContact N-O 2.76Å; M300-N308 WeakPolarHBondContact O-CA 3.47Å; Q301-N308 WeakPolarHBondContact CG-OD1 3.44Å; Q301-N308 PolarHBondContact NE2-OD1 3.04Å; R306-N308 VanDerWaalsContact O-CG 3.23Å; R306-N308 PolarHBondContact O-N 3.12Å; R306-N308 PolarHBondContact O-ND2 3.4Å; R306-N308 VanDerWaalsContact O-ND2 3.17Å; R306-N308 PolarHBondContact O-OD1 3.07Å; R306-N308 VanDerWaalsContact O-OD1 3.12Å
309	C	91.8	Very high	84.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	165	-179.5	74.1	0	0	0	0	114	C285 G299 M300 F307 C313 V317	C285-C309 VanDerWaalsContact SG-CA 3.54Å; G299-C309 CarbonylContact C-O 3.41Å; G299-C309 VanDerWaalsContact CA-O 3.29Å; G299-C309 WeakPolarHBondContact CA-O 3.35Å; M300-C309 PolarHBondContact N-O 3.41Å; M300-C309 PolarHBondContact O-N 3.1Å; F307-C309 HydrophobicContact CD1-CB 4.48Å; F307-C309 HydrophobicContact CE1-CB 4.2Å; C309-C313 HydrophobicContact CB-CB 4.24Å; C309-V317 HydrophobicContact CB-CG2 4.32Å
310	H	92	Very high	83.9	Confident	22 Å²	22	69.5 Å²	69.5	10%	0.102	34%	0.336	C	S	.	.			trans	-67.6	151.4	168.1	-61.2	110.1	0	0	0	110.1	C285 C288 R290 L291 L292 R312 C313 A314	C285-H310 VanDerWaalsContact CB-CE1 3.46Å; C285-H310 WeakPolarHBondContact CB-CE1 3.4Å; C285-H310 WeakPolarHBondContact CB-ND1 3.41Å; C285-H310 PolarHBondContact SG-N 3.37Å; C285-H310 VanDerWaalsContact SG-N 3.36Å; C285-H310 PolarHBondContact SG-ND1 3.33Å; C288-H310 PolarHBondContact SG-CE1 3.45Å; C288-H310 PolarHBondContact SG-ND1 3.02Å; R290-H310 PolarHBondContact O-CE1 3.16Å; L291-H310 PolarHBondContact O-NE2 3.25Å; L292-H310 HydrophobicContact CD2-CB 4.45Å; L292-H310 VanDerWaalsContact CD2-CD2 3.41Å; L292-H310 WeakPolarHBondContact CD2-CD2 3.33Å; H310-R312 VanDerWaalsContact C-N 3.27Å; H310-R312 HydrophobicContact CB-CG 4.03Å; H310-R312 PolarHBondContact O-N 3.38Å; H310-C313 HydrophobicContact CB-CB 4.18Å; H310-C313 WeakPolarHBondContact O-CA 2.84Å; H310-C313 WeakPolarHBondContact O-CB 3.41Å; H310-C313 PolarHBondContact O-N 3.46Å; H310-A314 PolarHBondContact O-N 3.03Å
311	K	88.6	Confident	83	Confident	108 Å²	108	68.6 Å²	68.6	47%	0.47	33%	0.332	S	S	.	.	H	α-helix	trans	-49.7	-46.4	172.9	-61.9	177	-176.5	165.5	0	112.5	R297 M300 C313 A314	R297-K311 WeakPolarHBondContact O-CE 3.35Å; R297-K311 PolarHBondContact O-NZ 3.16Å; M300-K311 HydrophobicContact CG-CB 4.38Å; M300-K311 HydrophobicContact CG-CG 3.95Å; M300-K311 HydrophobicContact SD-CG 3.85Å; K311-C313 PolarHBondContact O-N 3.06Å; K311-A314 PolarHBondContact O-N 3.21Å
312	R	87.6	Confident	81.5	Confident	188 Å²	188	71.9 Å²	71.9	71%	0.709	35%	0.35	S	S	*	.	H	α-helix	trans	-69.8	-6.2	175.1	69.3	175.4	178.5	-174.3	-3.3	116	H310	H310-R312 VanDerWaalsContact C-N 3.27Å; H310-R312 HydrophobicContact CB-CG 4.03Å; H310-R312 PolarHBondContact O-N 3.38Å
313	C	88.1	Confident	80	Confident	10 Å²	10	73.3 Å²	73.3	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-104.3	-19.6	177.3	-68.4	0	0	0	0	112.4	Y287 C309 H310 K311 S315 K316 V317	Y287-C313 HydrophobicContact CD1-CB 3.96Å; C309-C313 HydrophobicContact CB-CB 4.24Å; H310-C313 HydrophobicContact CB-CB 4.18Å; H310-C313 WeakPolarHBondContact O-CA 2.84Å; H310-C313 WeakPolarHBondContact O-CB 3.41Å; H310-C313 PolarHBondContact O-N 3.46Å; K311-C313 PolarHBondContact O-N 3.06Å; C313-S315 VanDerWaalsContact C-N 3.32Å; C313-S315 PolarHBondContact O-N 2.85Å; C313-K316 CarbonylContact O-C 3.56Å; C313-K316 WeakPolarHBondContact O-CA 3.37Å; C313-K316 PolarHBondContact O-N 3.27Å; C313-V317 WeakPolarHBondContact O-CG2 3.49Å; C313-V317 PolarHBondContact O-N 2.93Å
314	A	86.9	Confident	78.3	Confident	21 Å²	21	72.3 Å²	72.3	17%	0.174	36%	0.363	C	S	.	.	H	α-helix	trans	-55.3	-43.3	-176.4	0	0	0	0	0	113	F274 M300 H310 K311 K316 V317	F274-A314 HydrophobicContact CD2-CB 3.9Å; F274-A314 HydrophobicContact CE2-CB 4.28Å; F274-A314 HydrophobicContact CG-CB 4.19Å; M300-A314 HydrophobicContact CG-CB 4.25Å; H310-A314 PolarHBondContact O-N 3.03Å; K311-A314 PolarHBondContact O-N 3.21Å; A314-K316 PolarHBondContact O-N 2.73Å; A314-V317 PolarHBondContact O-N 2.93Å
315	S	79.6	Confident	76.3	Confident	109 Å²	109	75.2 Å²	75.2	76%	0.762	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.8	175.5	55.1	0	0	0	0	115	C313	C313-S315 VanDerWaalsContact C-N 3.32Å; C313-S315 PolarHBondContact O-N 2.85Å
316	K	83.2	Confident	74	Confident	131 Å²	131	79.1 Å²	79.1	57%	0.57	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-4.8	178	-53.1	-165.3	178.9	-163.6	0	113.4	Y287 C313 A314	Y287-K316 HydrophobicContact CE1-CB 3.95Å; Y287-K316 HydrophobicContact CE2-CB 4.33Å; Y287-K316 WeakPolarHBondContact CE2-O 3.44Å; C313-K316 CarbonylContact O-C 3.56Å; C313-K316 WeakPolarHBondContact O-CA 3.37Å; C313-K316 PolarHBondContact O-N 3.27Å; A314-K316 PolarHBondContact O-N 2.73Å
317	V	82.1	Confident	71	Confident	14 Å²	14	80.9 Å²	80.9	9%	0.085	42%	0.416	C	S	.	.	S	Bend	trans	-69.9	137	170.5	-172	0	0	0	0	108.1	F274 Y287 F307 C309 C313 A314	F274-V317 HydrophobicContact CE2-CB 4.09Å; F274-V317 HydrophobicContact CE2-CG2 4.09Å; F274-V317 HydrophobicContact CZ-CB 4.06Å; F274-V317 HydrophobicContact CZ-CG1 4.16Å; F274-V317 HydrophobicContact CZ-CG2 3.8Å; Y287-V317 HydrophobicContact CD2-CG2 4.47Å; F307-V317 HydrophobicContact CD1-CG1 4.21Å; F307-V317 HydrophobicContact CD1-CG2 4.47Å; F307-V317 HydrophobicContact CE1-CB 4.5Å; F307-V317 HydrophobicContact CE1-CG1 3.74Å; F307-V317 HydrophobicContact CE1-CG2 3.83Å; F307-V317 HydrophobicContact CZ-CG1 4.04Å; C309-V317 HydrophobicContact CB-CG2 4.32Å; C313-V317 WeakPolarHBondContact O-CG2 3.49Å; C313-V317 PolarHBondContact O-N 2.93Å; A314-V317 PolarHBondContact O-N 2.93Å
318	P	75.9	Confident	68.3	Low	75 Å²	75	86 Å²	86	49%	0.487	45%	0.446	S	S	.	.			trans	-59.5	163.4	173.7	-20.6	33.1	0	0	0	112.2	H272 D320	H272-P318 PolarHBondContact CD2-O 2.81Å; H272-P318 VanDerWaalsContact CD2-O 3.28Å; P318-D320 WeakPolarHBondContact CB-OD1 3.49Å; P318-D320 PolarHBondContact O-N 2.79Å
319	K	70.6	Confident	65.3	Low	144 Å²	144	88 Å²	88	63%	0.626	47%	0.473	S	S	*	.	S	Bend	trans	-98.1	56.3	-177.6	-65.3	-178.5	176.7	-177.4	0	110.8	K269 V270 P271	K269-K319 CarbonylContact C-O 3.24Å; K269-K319 WeakPolarHBondContact CA-O 3.46Å; K269-K319 WeakPolarHBondContact CB-O 3.44Å; V270-K319 PolarHBondContact N-O 3.06Å; V270-K319 CarbonylContact O-C 3.58Å; V270-K319 VanDerWaalsContact O-O 3.12Å; P271-K319 HydrophobicContact CB-CB 4.34Å; P271-K319 HydrophobicContact CB-CD 4.17Å; P271-K319 HydrophobicContact CB-CG 4.08Å
320	D	73.4	Confident	62.3	Low	91 Å²	91	94.6 Å²	94.6	49%	0.487	50%	0.504	S	S	.	.			trans	-124.6	42.2	-177.5	57.8	-14.9	0	0	0	111.6	V270 P318 L322	V270-D320 PolarHBondContact O-N 2.82Å; P318-D320 WeakPolarHBondContact CB-OD1 3.49Å; P318-D320 PolarHBondContact O-N 2.79Å; D320-L322 PolarHBondContact O-N 3.26Å
321	C	68	Low	59.4	Low	10 Å²	10	98 Å²	98	7%	0.068	53%	0.528	C	S	.	.			trans	-62.7	121.9	174.6	-171.1	0	0	0	0	110.3	V270 H272 C302 C305	V270-C321 VanDerWaalsContact O-CB 3.28Å; V270-C321 WeakPolarHBondContact O-CB 3.42Å; V270-C321 PolarHBondContact O-N 3.42Å; H272-C321 HydrophobicContact CB-CB 4.33Å; H272-C321 PolarHBondContact ND1-SG 2.82Å; C302-C321 VanDerWaalsContact SG-SG 3.7Å; C305-C321 VanDerWaalsContact SG-SG 3.66Å
322	L	61.2	Low	56.4	Low	113 Å²	113	97.9 Å²	97.9	59%	0.592	55%	0.547	S	S	*	.			trans	-79.7	-17.9	-177	-60.3	176	0	0	0	113.6	D320 V325	D320-L322 PolarHBondContact O-N 3.26Å; L322-V325 WeakPolarHBondContact O-CG2 3.44Å
323	G	53.5	Low	53.4	Low	30 Å²	30	91.6 Å²	91.6	31%	0.309	53%	0.532	S	S	.	.			trans	68.2	175.7	-168.4	0	0	0	0	0	113.6	D304 V325	D304-G323 CarbonylContact O-C 3.54Å; D304-G323 WeakPolarHBondContact O-CA 3.24Å; G323-V325 PolarHBondContact O-N 3.46Å
324	E	45.8	Very low	50.8	Low	125 Å²	125	95.1 Å²	95.1	58%	0.584	55%	0.554	S	S	*	*			trans	-80.3	73	167.3	-73	-165.1	158.4	0	0	109	D304 R306 V326	D304-E324 PolarHBondContact O-N 3.15Å; R306-E324 IonicContact CZ-OE1 3.64Å; R306-E324 IonicContact NE-OE1 3.56Å; R306-E324 PolarHBondContact NE-OE1 3.43Å; R306-E324 IonicContact NH2-OE1 2.79Å; R306-E324 PolarHBondContact NH2-OE1 2.95Å; E324-V326 PolarHBondContact O-N 3.16Å
325	V	33.6	Very low	47.8	Very low	113 Å²	113	97 Å²	97	69%	0.685	58%	0.576	S	S	*	*			trans	-75.4	100.9	168	175.9	0	0	0	0	108.3	L322 G323 F327	L322-V325 WeakPolarHBondContact O-CG2 3.44Å; G323-V325 PolarHBondContact O-N 3.46Å; V325-F327 PolarHBondContact O-N 2.81Å; V325-F327 VanDerWaalsContact O-N 3.13Å
326	V	30.7	Very low	45.3	Very low	127 Å²	127	95.8 Å²	95.8	77%	0.77	56%	0.558	S	S	*	*			trans	-79.1	93.4	173.7	-176.3	0	0	0	0	109.3	E324	E324-V326 PolarHBondContact O-N 3.16Å
327	F	22	Very low	42.6	Very low	192 Å²	192	95.3 Å²	95.3	84%	0.842	56%	0.562	S	S	*	*			trans	-118.1	138.2	158.2	-133.6	-92.7	0	0	0	106.7	V325	V325-F327 PolarHBondContact O-N 2.81Å; V325-F327 VanDerWaalsContact O-N 3.13Å
328	N	30.3	Very low	40	Very low	158 Å²	158	100 Å²	100	85%	0.845	59%	0.586	S	S	*	*	S	Bend	trans	-73.2	140.9	-168.7	-94.1	-7.4	0	0	0	113.4
329	G	27.4	Very low	37.7	Very low	68 Å²	68	103.5 Å²	103.5	70%	0.701	60%	0.601	S	S	*	*			trans	87.5	128.2	179.8	0	0	0	0	0	112.9
330	E	27.2	Very low	35.5	Very low	137 Å²	137	103.3 Å²	103.3	64%	0.64	60%	0.604	S	S	*	*			cis	-163.1	-177.6	2.5	-114.8	-156.7	-168.9	0	0	107.9	Y171	Y171-E330 PolarHBondContact OH-OE1 2.69Å; Y171-E330 PolarHBondContact OH-OE2 3.41Å
331	P	32.1	Very low	33.8	Very low	95 Å²	95	103.9 Å²	103.9	62%	0.617	61%	0.612	S	S	*	*			cis	-130.1	158.4	-35.8	32.9	-17.1	0	0	0	113.2
332	A	24.9	Very low	31.8	Very low	105 Å²	105	111.8 Å²	111.8	87%	0.868	65%	0.65	S	S	*	*			trans	-150.2	81.5	163.1	0	0	0	0	0	111.8
333	S	25	Very low	30.1	Very low	56 Å²	56	115.2 Å²	115.2	39%	0.392	66%	0.663	S	S	.	*			trans	-78.4	174.6	168.4	-44.6	0	0	0	0	111.2	K200	K200-S333 PolarHBondContact NZ-OG 3.37Å
334	P	32.7	Very low	28.9	Very low	83 Å²	83	120.9 Å²	120.9	54%	0.539	69%	0.691	S	S	.	*			cis	-120.1	179.6	-27.6	21	2.2	0	0	0	110.8
335	G	24.7	Very low	27.8	Very low	61 Å²	61	121.7 Å²	121.7	63%	0.629	70%	0.7	S	S	*	*			cis	134.8	146.5	-4.2	0	0	0	0	0	112
336	Q	25.9	Very low	27.5	Very low	84 Å²	84	121 Å²	121	39%	0.393	70%	0.7	S	S	.	*			trans	-136.3	146.8	170.5	-69.2	156.6	5.7	0	0	106.8	E778 D779	Q336-E778 VanDerWaalsContact CD-O 3.23Å; Q336-E778 WeakPolarHBondContact CG-O 3.01Å; Q336-E778 PolarHBondContact NE2-O 2.86Å; Q336-D779 PolarHBondContact NE2-OD1 2.73Å
337	D	26.9	Very low	27.2	Very low	121 Å²	121	121 Å²	121	65%	0.647	71%	0.706	S	S	*	*			trans	-137.1	125.8	166.7	-72	-65.4	0	0	0	107.5	F199	F199-D337 VanDerWaalsContact CE1-OD2 3.29Å; F199-D337 WeakPolarHBondContact CE1-OD2 3.24Å; F199-D337 WeakPolarHBondContact CZ-OD2 3.39Å
338	L	28.1	Very low	27.6	Very low	113 Å²	113	120.8 Å²	120.8	59%	0.592	71%	0.708	S	S	*	*			trans	-84.8	153.2	167.9	-74	164.7	0	0	0	109.4	I782	L338-I782 HydrophobicContact CD2-CG2 3.73Å
339	D	27.1	Very low	27.5	Very low	148 Å²	148	121.9 Å²	121.9	79%	0.791	71%	0.71	S	S	*	*			trans	-144.9	130.2	167.9	-133.5	-17.8	0	0	0	110.3
340	M	24.1	Very low	27.6	Very low	140 Å²	140	125.5 Å²	125.5	69%	0.69	71%	0.713	S	S	*	*			trans	-160.3	160.1	-178.3	-99.5	-54.3	101	0	0	109.7
341	P	38.8	Very low	27.7	Very low	102 Å²	102	125.2 Å²	125.2	66%	0.662	73%	0.726	S	S	*	*				-129	178.2	-113.6	42.6	-29.3	0	0	0	115.1
342	M	25.5	Very low	27.4	Very low	177 Å²	177	128 Å²	128	87%	0.872	74%	0.736	S	S	*	*			trans	-135.4	118.7	153.3	-70.8	-171.1	176.7	0	0	107.6
343	E	25.3	Very low	27.6	Very low	184 Å²	184	126.2 Å²	126.2	86%	0.86	73%	0.727	S	S	*	*				68.2	123.8	88.2	-64.9	-147.3	156.7	0	0	114.4
344	V	28.8	Very low	27.7	Very low	149 Å²	149	128 Å²	128	90%	0.903	74%	0.739	S	S	*	*			trans	-142.8	138.5	175.5	176.5	0	0	0	0	107.2
345	D	23.7	Very low	27.6	Very low	142 Å²	142	135.9 Å²	135.9	76%	0.759	76%	0.759	S	S	*	*			trans	-112.6	146.2	-179.4	-167.5	16.4	0	0	0	112.6
346	S	25.9	Very low	27.7	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	76%	0.762	S	S	*	*			trans	14	124.2	161.8	-57	0	0	0	0	121.4
347	S	25.9	Very low	28	Very low	127 Å²	127	139.8 Å²	139.8	89%	0.888	78%	0.783	S	S	*	*				-153.4	153.7	128.4	40.6	0	0	0	0	110.8
348	E	29.6	Very low	28.2	Very low	188 Å²	188	140.5 Å²	140.5	88%	0.879	79%	0.787	S	S	*	*			trans	-102.3	152.7	-160	-52.4	169.4	126	0	0	113.8
349	M	28.6	Very low	28.3	Very low	180 Å²	180	142.6 Å²	142.6	89%	0.887	80%	0.798	S	S	*	*			trans	-159.1	145.4	135.4	-163.5	54.7	173.6	0	0	111.2
350	N	28.2	Very low	28.5	Very low	145 Å²	145	141.6 Å²	141.6	78%	0.775	80%	0.797	S	S	*	*			trans	-84	154.4	-170	-63.2	-64.7	0	0	0	115.2
351	S	29.5	Very low	28.7	Very low	130 Å²	130	143.7 Å²	143.7	91%	0.909	81%	0.805	S	S	*	*			trans	-154.6	152.3	134.5	-144.5	0	0	0	0	111.1
352	D	27.1	Very low	28.2	Very low	155 Å²	155	146.7 Å²	146.7	83%	0.829	81%	0.81	S	S	*	*			trans	-108.4	160.9	-170.9	179.9	22	0	0	0	111.9
353	G	27.8	Very low	28.8	Very low	66 Å²	66	143.5 Å²	143.5	68%	0.68	80%	0.803	S	S	*	*			trans	167	37.9	179.9	0	0	0	0	0	122.9
354	S	28.4	Very low	28.9	Very low	93 Å²	93	139 Å²	139	65%	0.65	79%	0.792	S	S	*	*			trans	22.4	133.3	147	-72.6	0	0	0	0	123.8
355	R	29.7	Very low	29.7	Very low	250 Å²	250	137.2 Å²	137.2	94%	0.943	78%	0.784	S	S	*	*			trans	77.7	154.9	160	-52.3	154.4	-171.7	-170.8	2.2	116.7
356	G	26.7	Very low	30.7	Very low	67 Å²	67	136.2 Å²	136.2	69%	0.691	79%	0.785	S	S	*	*			cis	160.5	148.4	-11.9	0	0	0	0	0	114.3
357	L	32.4	Very low	30.9	Very low	159 Å²	159	140.5 Å²	140.5	83%	0.832	79%	0.794	S	S	*	*			trans	74.3	130.3	166	-58.4	171.8	0	0	0	121.8
358	D	30.7	Very low	31	Very low	137 Å²	137	140.4 Å²	140.4	73%	0.733	78%	0.783	S	S	*	*				61.3	111.6	128.4	-51.9	-5.7	0	0	0	125.5
359	D	30.1	Very low	30.9	Very low	156 Å²	156	139.6 Å²	139.6	83%	0.834	78%	0.777	S	S	*	*				79.5	169	114.3	-150.4	21.9	0	0	0	123.9
360	V	31.5	Very low	30.8	Very low	127 Å²	127	137.6 Å²	137.6	77%	0.77	77%	0.768	S	S	*	*			trans	103.2	152.4	164.6	-170.8	0	0	0	0	118.6
361	E	28.8	Very low	30.6	Very low	184 Å²	184	140.8 Å²	140.8	86%	0.86	78%	0.776	S	S	*	*			trans	-98.7	-174.4	-148.1	-56.4	173.9	102.8	0	0	118.2
362	E	28.8	Very low	30.5	Very low	165 Å²	165	143.6 Å²	143.6	77%	0.771	77%	0.772	S	S	*	*			trans	-35.3	180	160.9	-108.2	-149.2	-165.5	0	0	119
363	P	37.8	Very low	30.4	Very low	110 Å²	110	145.2 Å²	145.2	71%	0.714	78%	0.777	S	S	*	*			cis	-142.7	-175.5	28.9	41.3	-19.4	0	0	0	119.2
364	S	27.9	Very low	30.3	Very low	90 Å²	90	148.9 Å²	148.9	63%	0.629	78%	0.781	S	S	*	*			trans	-82.3	-162.8	160.4	71.5	0	0	0	0	110.9
365	P	45.5	Very low	31.4	Very low	112 Å²	112	148.8 Å²	148.8	73%	0.727	78%	0.778	S	S	*	*			cis	-135.2	-144.1	18	43.6	-20.1	0	0	0	111.2
366	P	44.1	Very low	31.3	Very low	121 Å²	121	141.8 Å²	141.8	79%	0.786	77%	0.767	S	S	*	*			cis	-132.4	-175.1	-12.9	38.6	-18.1	0	0	0	116.6
367	E	29.3	Very low	31.3	Very low	188 Å²	188	145 Å²	145	88%	0.879	77%	0.769	S	S	*	*			trans	-90.3	170.1	-177.8	-46.5	167.2	116	0	0	114
368	D	28.3	Very low	31.2	Very low	125 Å²	125	144.5 Å²	144.5	67%	0.668	77%	0.766	S	S	*	*			trans	-161.9	135.5	140.4	-134.6	-9.3	0	0	0	117.8
369	K	28.6	Very low	31.1	Very low	172 Å²	172	145 Å²	145	75%	0.748	77%	0.769	S	S	*	*			trans	72	155.3	149.4	-81.6	158.3	-170.5	76.9	0	124.1
370	I	26.4	Very low	31	Very low	138 Å²	138	141.3 Å²	141.3	71%	0.708	76%	0.76	S	S	*	*			trans	-138.2	151.8	-163	-60.2	156.3	0	0	0	108.5	F372	I370-F372 HydrophobicContact CG2-CD2 4.38Å
371	F	23.3	Very low	30.9	Very low	212 Å²	212	142.5 Å²	142.5	93%	0.93	76%	0.762	S	S	*	*			trans	-148.2	150.9	154.1	-106.3	-77.8	0	0	0	112.6
372	F	27	Very low	30.9	Very low	188 Å²	188	141.3 Å²	141.3	83%	0.825	75%	0.754	S	S	*	*			trans	-129.9	143.9	179.9	-104.4	-94.8	0	0	0	109.2	I370	I370-F372 HydrophobicContact CG2-CD2 4.38Å
373	M	25.7	Very low	30.8	Very low	189 Å²	189	139.3 Å²	139.3	93%	0.931	75%	0.749	S	S	*	*			trans	-173.4	158.1	143	-109.6	171.8	69	0	0	113.6
374	D	24.6	Very low	30.4	Very low	143 Å²	143	143.5 Å²	143.5	77%	0.765	76%	0.759	S	S	*	*			trans	-164.2	177.3	-172.6	-163.7	33.6	0	0	0	105.6
375	P	53.2	Low	30.5	Very low	92 Å²	92	148 Å²	148	60%	0.597	77%	0.77	S	S	*	*			cis	-127.3	-157.1	-16.8	20.3	6.7	0	0	0	113.2
376	S	26.3	Very low	29.5	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	77%	0.768	S	S	*	*			trans	83.5	148.5	152.5	79.3	0	0	0	0	118.4
377	D	28	Very low	29	Very low	136 Å²	136	147.5 Å²	147.5	73%	0.727	77%	0.771	S	S	*	*			cis	-164.9	167.3	-6.5	-128.6	-32.8	0	0	0	113.7
378	L	30.2	Very low	28.9	Very low	148 Å²	148	147.1 Å²	147.1	78%	0.775	77%	0.766	S	S	*	*			trans	63	151.3	155.2	-65.4	168.5	0	0	0	121
379	D	27.7	Very low	28.7	Very low	147 Å²	147	147.8 Å²	147.8	79%	0.786	78%	0.775	S	S	*	*			cis	-168.2	172.6	-19.4	-161.7	5.4	0	0	0	112.1
380	A	28.9	Very low	28.5	Very low	79 Å²	79	147.3 Å²	147.3	65%	0.653	78%	0.779	S	S	*	*			trans	80.6	115.5	157.4	0	0	0	0	0	123.9
381	D	28.1	Very low	28.6	Very low	151 Å²	151	145.9 Å²	145.9	81%	0.807	78%	0.781	S	S	*	*			trans	37.6	139	134.8	-73.2	5.2	0	0	0	122.2
382	K	28.3	Very low	28.6	Very low	159 Å²	159	141.8 Å²	141.8	69%	0.691	78%	0.776	S	S	*	*			cis	-172.8	156.4	31.8	-137.1	-178.9	173.1	-124.5	0	116
383	D	27.2	Very low	28.5	Very low	124 Å²	124	138.3 Å²	138.3	66%	0.663	78%	0.775	S	S	*	*			trans	61.7	147.8	150.5	-67.7	-27.6	0	0	0	125.4
384	E	29.1	Very low	28.9	Very low	198 Å²	198	135.5 Å²	135.5	93%	0.925	77%	0.769	S	S	*	*			trans	80.4	145	164	-65.4	-124.8	125.7	0	0	123
385	E	30.5	Very low	29.1	Very low	184 Å²	184	132.4 Å²	132.4	86%	0.86	76%	0.758	S	S	*	*			trans	-82.5	139.8	-165.8	-62.6	-177.9	89.7	0	0	115.8
386	A	25.6	Very low	28.2	Very low	83 Å²	83	135.2 Å²	135.2	69%	0.686	77%	0.768	S	S	*	*			trans	-156.3	97.7	150.6	0	0	0	0	0	112.9	K388	A386-K388 PolarHBondContact O-N 3.31Å; A386-K388 VanDerWaalsContact O-N 3.08Å
387	V	33.6	Very low	28.6	Very low	140 Å²	140	133 Å²	133	85%	0.848	75%	0.748	S	S	*	*			trans	-61.5	112.1	175.7	178.5	0	0	0	0	111.2
388	K	26	Very low	29	Very low	180 Å²	180	129.8 Å²	129.8	78%	0.783	73%	0.73	S	S	*	*			trans	-135.7	118.1	169.5	-76	-179.7	-177.1	162.6	0	111.6	A386	A386-K388 PolarHBondContact O-N 3.31Å; A386-K388 VanDerWaalsContact O-N 3.08Å
389	T	23.6	Very low	29.2	Very low	138 Å²	138	127.2 Å²	127.2	85%	0.847	72%	0.722	S	S	*	*			trans	-63.3	132.9	171.7	49.4	0	0	0	0	111.9
390	I	25.2	Very low	29.7	Very low	162 Å²	162	120.8 Å²	120.8	83%	0.831	69%	0.688	S	S	*	*			trans	-108.9	140.4	164.4	-61.7	178.4	0	0	0	108.3
391	S	27.5	Very low	30	Very low	109 Å²	109	125.3 Å²	125.3	76%	0.762	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-77.7	142.5	-174.2	-49.8	0	0	0	0	113.3
392	P	25	Very low	30.5	Very low	125 Å²	125	125.8 Å²	125.8	81%	0.812	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-76.5	148.9	153.9	-3	21.1	0	0	0	110.8
393	S	24.1	Very low	30.9	Very low	116 Å²	116	121.5 Å²	121.5	81%	0.811	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-77.8	166.8	178.3	-56.3	0	0	0	0	113.4
394	T	33.8	Very low	31	Very low	130 Å²	130	118.2 Å²	118.2	80%	0.798	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63.7	130.6	-175.6	47.4	0	0	0	0	113.9
395	S	28.4	Very low	31	Very low	77 Å²	77	118.1 Å²	118.1	54%	0.538	66%	0.659	S	S	.	*			trans	-121.1	127.2	154.8	41.3	0	0	0	0	108.4	N397	S395-N397 PolarHBondContact O-N 2.83Å
396	N	35.3	Very low	31.2	Very low	152 Å²	152	113.5 Å²	113.5	81%	0.813	65%	0.647	S	S	*	*			trans	-98.2	62.2	-169.4	-71.1	-14.8	0	0	0	111.6
397	N	34.2	Very low	31.7	Very low	56 Å²	56	115.7 Å²	115.7	30%	0.299	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-85.4	130.3	173.6	-66.8	-5.3	0	0	0	110.2	S395 P399 T773 P794 N796	S395-N397 PolarHBondContact O-N 2.83Å; N397-P399 WeakPolarHBondContact O-CD 3.44Å; N397-T773 HydrophobicContact CB-CG2 4.39Å; N397-P794 WeakPolarHBondContact OD1-CB 3.28Å; N397-N796 PolarHBondContact ND2-O 3.49Å
398	I	37.9	Very low	31.6	Very low	68 Å²	68	117.8 Å²	117.8	35%	0.349	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-76.3	119.7	177.3	-60	172.5	0	0	0	109.2	T773	I398-T773 WeakPolarHBondContact O-CG2 3.28Å
399	P	33.3	Very low	32	Very low	93 Å²	93	117.5 Å²	117.5	60%	0.604	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-72.5	142.8	177.1	-16.7	31.8	0	0	0	112.2	N397 M401	N397-P399 WeakPolarHBondContact O-CD 3.44Å; P399-M401 PolarHBondContact O-N 3.03Å
400	L	38.7	Very low	32.1	Very low	13 Å²	13	115.4 Å²	115.4	7%	0.068	63%	0.632	C	S	.	*	S	Bend	trans	-45.5	-12.9	176.9	-112.7	162.3	0	0	0	117.7	R402 L660 I663 L664 S669 G772	L400-R402 PolarHBondContact O-N 2.8Å; L400-L660 HydrophobicContact CD2-CD1 3.91Å; L400-I663 HydrophobicContact CD1-CG2 3.58Å; L400-L664 HydrophobicContact CB-CD2 3.81Å; L400-L664 HydrophobicContact CD1-CD2 4.16Å; L400-L664 HydrophobicContact CD2-CD2 3.99Å; L400-L664 HydrophobicContact CG-CD2 4.21Å; L400-S669 VanDerWaalsContact CD1-O 3.25Å; L400-S669 WeakPolarHBondContact CD1-O 3.41Å; L400-G772 WeakPolarHBondContact CD1-O 3.02Å; L400-G772 VanDerWaalsContact CG-O 3.31Å; L400-G772 WeakPolarHBondContact CG-O 3.49Å
401	M	34.4	Very low	32.3	Very low	173 Å²	173	117.3 Å²	117.3	85%	0.852	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	10.6	-173.5	-73.9	178.2	54	0	0	116.2	P399	P399-M401 PolarHBondContact O-N 3.03Å
402	R	38.7	Very low	32.6	Very low	161 Å²	161	124.1 Å²	124.1	61%	0.608	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-19.7	-170.9	-135.5	178.1	-162.1	168.9	1.4	116.8	L400	L400-R402 PolarHBondContact O-N 2.8Å
403	V	37.9	Very low	33.1	Very low	70 Å²	70	126.7 Å²	126.7	42%	0.424	64%	0.641	S	S	.	*	S	Bend	trans	-95.9	-6.9	-176.4	-175.6	0	0	0	0	112.7	F774	V403-F774 HydrophobicContact CG2-CE2 3.74Å; V403-F774 HydrophobicContact CG2-CZ 4.27Å
404	V	29.5	Very low	33.9	Very low	54 Å²	54	126.3 Å²	126.3	33%	0.327	64%	0.639	S	S	.	*			trans	-112.1	98.2	-169.4	-174.9	0	0	0	0	113.3	S406 L660 L664	V404-S406 WeakPolarHBondContact CG1-OG 3.44Å; V404-L660 HydrophobicContact CG2-CD2 3.86Å; V404-L664 HydrophobicContact CG2-CD1 3.97Å
405	Q	27.1	Very low	35	Very low	197 Å²	197	122.4 Å²	122.4	92%	0.921	62%	0.617	S	S	*	*			trans	-100.7	39.3	148.7	-70.7	-162.8	9.4	0	0	111.3
406	S	34.7	Very low	36.7	Very low	87 Å²	87	124 Å²	124	61%	0.608	62%	0.624	S	S	*	*			trans	-67.3	152	162.8	77.7	0	0	0	0	110	V404 K408	V404-S406 WeakPolarHBondContact CG1-OG 3.44Å; S406-K408 PolarHBondContact O-N 3.4Å
407	I	36.1	Very low	38.5	Very low	129 Å²	129	121.6 Å²	121.6	66%	0.662	61%	0.609	S	S	*	*			trans	-80.2	94.9	-170	-58.4	173.1	0	0	0	109	H409 T410	I407-H409 PolarHBondContact O-N 2.94Å; I407-T410 HydrophobicContact CG2-CG2 4.38Å
408	K	32.2	Very low	40.8	Very low	184 Å²	184	122.5 Å²	122.5	80%	0.8	62%	0.616	S	S	*	*			trans	-43	125.8	169.4	-68.9	-176.7	177.2	-178	0	110.3	S406 T410	S406-K408 PolarHBondContact O-N 3.4Å; K408-T410 WeakPolarHBondContact O-CG2 3.41Å; K408-T410 PolarHBondContact O-N 3.27Å
409	H	34.2	Very low	43.2	Very low	173 Å²	173	122.6 Å²	122.6	80%	0.801	61%	0.614	S	S	*	*			trans	-40.1	101.8	178.1	-82	-67.5	0	0	0	112	I407 K411	I407-H409 PolarHBondContact O-N 2.94Å; H409-K411 PolarHBondContact O-N 3.29Å
410	T	26.8	Very low	46	Very low	95 Å²	95	122.1 Å²	122.1	58%	0.583	60%	0.603	S	S	*	*			trans	-72.3	122.6	-178.7	68.8	0	0	0	0	108.4	I407 K408 R412	I407-T410 HydrophobicContact CG2-CG2 4.38Å; K408-T410 WeakPolarHBondContact O-CG2 3.41Å; K408-T410 PolarHBondContact O-N 3.27Å; T410-R412 PolarHBondContact O-N 3.04Å; T410-R412 VanDerWaalsContact O-N 3.13Å
411	K	28.9	Very low	48.4	Very low	201 Å²	201	122.2 Å²	122.2	87%	0.874	61%	0.608	S	S	*	*			trans	-48.8	122.7	176.8	-72	-177.7	174.5	-177.2	0	109.1	H409 K413	H409-K411 PolarHBondContact O-N 3.29Å; K411-K413 PolarHBondContact O-N 2.99Å
412	R	32.5	Very low	50.9	Low	253 Å²	253	116.7 Å²	116.7	96%	0.955	58%	0.578	S	S	*	*			trans	-20.5	95.4	-175.8	-70	-177.2	178.8	177.4	-1.1	112.7	T410	T410-R412 PolarHBondContact O-N 3.04Å; T410-R412 VanDerWaalsContact O-N 3.13Å
413	K	35.9	Very low	53.3	Low	178 Å²	178	109.1 Å²	109.1	77%	0.774	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-63.3	146.5	160.5	-80.1	-179	173.6	176.9	0	107.6	K411 S415	K411-K413 PolarHBondContact O-N 2.99Å; K413-S415 PolarHBondContact O-N 2.68Å
414	S	41.3	Very low	55.7	Low	109 Å²	109	106 Å²	106	76%	0.762	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-56.3	135	162.1	49.6	0	0	0	0	108.7
415	S	56.6	Low	58.5	Low	48 Å²	48	103.4 Å²	103.4	34%	0.336	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-52.8	140.1	170.7	36.7	0	0	0	0	110.4	K413 M417 D441	K413-S415 PolarHBondContact O-N 2.68Å; S415-M417 PolarHBondContact O-N 3.29Å; S415-D441 WeakPolarHBondContact CB-OD2 3.46Å; S415-D441 PolarHBondContact OG-OD2 2.89Å
416	T	64.7	Low	61.5	Low	110 Å²	110	94.9 Å²	94.9	68%	0.675	47%	0.474	S	S	*	.			trans	-74.8	111.4	177.2	46.2	0	0	0	0	108.8	V418	T416-V418 PolarHBondContact O-N 3.13Å
417	M	73.6	Confident	64.1	Low	102 Å²	102	91 Å²	91	50%	0.502	45%	0.447	S	S	.	.			trans	-60.1	123.8	176.2	-166.3	-168.1	-58.8	0	0	109.9	S415 E420	S415-M417 PolarHBondContact O-N 3.29Å; M417-E420 HydrophobicContact SD-CB 3.78Å; M417-E420 HydrophobicContact SD-CG 3.78Å
418	V	82.5	Confident	66.5	Low	74 Å²	74	88 Å²	88	45%	0.448	44%	0.437	S	S	.	.			trans	-89.8	-41.3	-177.2	177.5	0	0	0	0	110.6	T416 L440	T416-V418 PolarHBondContact O-N 3.13Å; V418-L440 HydrophobicContact CB-CD2 4.27Å; V418-L440 HydrophobicContact CB-CG 4.14Å; V418-L440 HydrophobicContact CG1-CD2 4.09Å; V418-L440 HydrophobicContact CG1-CG 4.5Å; V418-L440 PolarHBondContact N-O 3.29Å
419	K	87.8	Confident	69.1	Low	71 Å²	71	87.8 Å²	87.8	31%	0.309	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	142.4	-179.4	-169.4	173.3	176.2	66.4	0	111	L440 G522 W523 A526	K419-L440 HydrophobicContact CB-CB 4.46Å; K419-L440 PolarHBondContact N-O 2.91Å; K419-L440 PolarHBondContact O-N 3.49Å; K419-G522 WeakPolarHBondContact CE-O 3.43Å; K419-W523 HydrophobicContact CB-CH2 4.17Å; K419-W523 HydrophobicContact CB-CZ3 4.08Å; K419-W523 HydrophobicContact CD-CD2 3.71Å; K419-W523 HydrophobicContact CD-CE3 3.77Å; K419-W523 HydrophobicContact CD-CG 4.24Å; K419-W523 HydrophobicContact CD-CH2 4.27Å; K419-W523 HydrophobicContact CD-CZ2 4.23Å; K419-W523 HydrophobicContact CD-CZ3 4.05Å; K419-W523 VanDerWaalsContact CE-CD2 3.5Å; K419-W523 HydrophobicContact CG-CD2 4.36Å; K419-W523 HydrophobicContact CG-CE3 4.26Å; K419-W523 HydrophobicContact CG-CH2 3.87Å; K419-W523 HydrophobicContact CG-CZ2 3.98Å; K419-W523 HydrophobicContact CG-CZ3 4.02Å; K419-A526 HydrophobicContact CB-CB 4.42Å; K419-A526 HydrophobicContact CD-CB 3.59Å
420	E	91.2	Very high	71.5	Confident	82 Å²	82	82 Å²	82	38%	0.383	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	164.5	166.5	70	-179.4	161.2	0	0	112.6	M417 Y437 W438 R439	M417-E420 HydrophobicContact SD-CB 3.78Å; M417-E420 HydrophobicContact SD-CG 3.78Å; E420-Y437 HydrophobicContact CB-CE1 3.87Å; E420-Y437 HydrophobicContact CG-CE1 4.15Å; E420-Y437 WeakPolarHBondContact OE2-CE1 3.37Å; E420-Y437 PolarHBondContact OE2-OH 2.78Å; E420-W438 CarbonylContact C-O 3.54Å; E420-W438 WeakPolarHBondContact CA-O 3.28Å; E420-R439 HydrophobicContact CB-CG 3.88Å; E420-R439 IonicContact OE2-CZ 2.87Å; E420-R439 IonicContact OE2-NE 3.24Å; E420-R439 PolarHBondContact OE2-NE 3.34Å; E420-R439 IonicContact OE2-NH2 2.78Å; E420-R439 PolarHBondContact OE2-NH2 2.96Å
421	G	89.1	Confident	74.1	Confident	16 Å²	16	81.8 Å²	81.8	17%	0.165	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.7	170.8	178	0	0	0	0	0	113.8	W438	G421-W438 PolarHBondContact N-O 2.85Å; G421-W438 PolarHBondContact O-N 3.42Å
422	W	87.3	Confident	76.8	Confident	57 Å²	57	78 Å²	78	22%	0.216	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	141.6	179.4	-69.6	101.5	0	0	0	112.9	R435 H436 Y437 G514	W422-R435 VanDerWaalsContact CB-NH2 3.33Å; W422-R435 VanDerWaalsContact CD2-CZ 3.43Å; W422-R435 HydrophobicContact CE3-CG 3.94Å; W422-R435 HydrophobicContact CZ3-CG 4.44Å; W422-H436 VanDerWaalsContact CE3-C 3.41Å; W422-Y437 AromaticContact CD1-CD2 3.84Å; W422-Y437 AromaticContact CD2-CD2 3.81Å; W422-Y437 HydrophobicContact CD2-CD2 3.81Å; W422-Y437 AromaticContact CE2-CD2 3.64Å; W422-Y437 HydrophobicContact CE3-CD2 4.47Å; W422-Y437 AromaticContact CG-CD2 3.96Å; W422-Y437 HydrophobicContact CG-CD2 3.96Å; W422-Y437 HydrophobicContact CZ2-CD2 4.17Å; W422-Y437 AromaticContact NE1-CD2 3.62Å; W422-G514 WeakPolarHBondContact O-CA 3.23Å
423	M	88.8	Confident	79.2	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	144.7	169.8	-77	-59.9	-73.9	0	0	112.3	R435 H436 W438 F486 V497 V519 W523	M423-R435 WeakPolarHBondContact O-CA 3.29Å; M423-H436 PolarHBondContact N-O 2.8Å; M423-H436 PolarHBondContact O-N 2.89Å; M423-W438 HydrophobicContact CB-CD2 3.6Å; M423-W438 HydrophobicContact CB-CE3 4.03Å; M423-W438 HydrophobicContact CB-CG 3.85Å; M423-W438 HydrophobicContact CB-CZ2 4.29Å; M423-W438 HydrophobicContact CG-CD2 3.89Å; M423-W438 HydrophobicContact CG-CE3 3.88Å; M423-W438 HydrophobicContact CG-CG 4.18Å; M423-W438 HydrophobicContact CG-CZ3 4.48Å; M423-F486 HydrophobicContact CE-CE1 4.3Å; M423-V497 HydrophobicContact CE-CG1 3.48Å; M423-V497 VanDerWaalsContact CE-CG1 3.48Å; M423-V519 HydrophobicContact SD-CG1 3.94Å; M423-W523 HydrophobicContact CE-CB 4.39Å; M423-W523 HydrophobicContact CE-CG 4.35Å; M423-W523 HydrophobicContact CG-CD2 4.14Å; M423-W523 HydrophobicContact CG-CG 4.07Å; M423-W523 HydrophobicContact CG-CZ2 4.41Å; M423-W523 HydrophobicContact SD-CG 3.95Å
424	V	88.2	Confident	81.6	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.5	169.5	-176.4	0	0	0	0	109.8	R433 K434 R435 G498 E499 V515	V424-R433 HydrophobicContact CG1-CG 3.7Å; V424-K434 WeakPolarHBondContact CA-O 3.43Å; V424-R435 HydrophobicContact CG2-CB 4.33Å; V424-R435 HydrophobicContact CG2-CG 4.19Å; V424-G498 PolarHBondContact O-N 2.82Å; V424-E499 HydrophobicContact CB-CG 4.25Å; V424-E499 HydrophobicContact CG1-CG 4.03Å; V424-V515 HydrophobicContact CG2-CG2 4.06Å
425	H	89.6	Confident	83.9	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	165.3	173.4	63.5	-81.1	0	0	0	112.1	K434 H436 W438 F496 V497	H425-K434 PolarHBondContact N-O 2.84Å; H425-K434 PolarHBondContact O-N 2.99Å; H425-K434 VanDerWaalsContact O-O 3.1Å; H425-H436 AromaticContact CE1-ND1 3.37Å; H425-H436 PolarHBondContact CE1-ND1 2.94Å; H425-H436 AromaticContact NE2-ND1 3.92Å; H425-W438 HydrophobicContact CB-CZ2 4.12Å; H425-W438 AromaticContact CE1-NE1 3.84Å; H425-W438 AromaticContact CG-CZ2 3.97Å; H425-W438 AromaticContact ND1-CE2 3.97Å; H425-W438 AromaticContact ND1-CZ2 3.71Å; H425-W438 AromaticContact ND1-NE1 3.61Å; H425-F496 CarbonylContact C-O 3.5Å; H425-F496 WeakPolarHBondContact CA-O 3.28Å; H425-F496 VanDerWaalsContact CB-O 3.27Å; H425-F496 WeakPolarHBondContact CB-O 3.49Å; H425-V497 HydrophobicContact CB-CG2 4.42Å
426	Y	88.9	Confident	85.6	Confident	18 Å²	18	65.4 Å²	65.4	7%	0.071	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	-175.7	162.3	63.3	-86	0	0	0	108.8	N431 N482 Y484 Y495 F496	Y426-N431 VanDerWaalsContact CD2-OD1 3.23Å; Y426-N431 WeakPolarHBondContact CD2-OD1 3.48Å; Y426-N431 WeakPolarHBondContact CE2-OD1 3.22Å; Y426-N482 HydrophobicContact CE1-CB 3.97Å; Y426-N482 PolarHBondContact OH-O 2.93Å; Y426-N482 VanDerWaalsContact OH-O 3.09Å; Y426-Y484 WeakPolarHBondContact OH-CD1 3.41Å; Y426-Y495 WeakPolarHBondContact O-CA 3.45Å; Y426-F496 HydrophobicContact CD1-CB 4.03Å; Y426-F496 HydrophobicContact CD2-CB 3.99Å; Y426-F496 AromaticContact CD2-CD2 3.63Å; Y426-F496 HydrophobicContact CD2-CD2 3.63Å; Y426-F496 HydrophobicContact CD2-CG 4.15Å; Y426-F496 HydrophobicContact CE1-CB 3.62Å; Y426-F496 HydrophobicContact CE1-CG 4.45Å; Y426-F496 HydrophobicContact CE2-CB 3.58Å; Y426-F496 AromaticContact CE2-CD2 3.28Å; Y426-F496 HydrophobicContact CE2-CD2 3.28Å; Y426-F496 HydrophobicContact CE2-CE2 4.09Å; Y426-F496 AromaticContact CE2-CG 3.55Å; Y426-F496 HydrophobicContact CE2-CG 3.55Å; Y426-F496 HydrophobicContact CG-CB 4.2Å; Y426-F496 AromaticContact CZ-CD2 3.97Å; Y426-F496 AromaticContact CZ-CG 3.72Å; Y426-F496 PolarHBondContact N-O 2.87Å; Y426-F496 PolarHBondContact O-N 3.2Å
427	T	89.9	Confident	86.7	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159.5	-170.7	61.7	0	0	0	0	114	R429 D430 M493 V494 Y495	T427-R429 PolarHBondContact O-N 2.82Å; T427-R429 VanDerWaalsContact O-N 3.12Å; T427-D430 PolarHBondContact N-O 3.13Å; T427-D430 CarbonylContact O-C 3.35Å; T427-D430 PolarHBondContact O-N 3.38Å; T427-D430 PolarHBondContact OG1-N 2.81Å; T427-D430 PolarHBondContact OG1-O 3.32Å; T427-M493 HydrophobicContact CG2-CE 3.96Å; T427-M493 HydrophobicContact CG2-CG 4.31Å; T427-M493 VanDerWaalsContact OG1-CE 3.3Å; T427-M493 WeakPolarHBondContact OG1-CE 3.5Å; T427-V494 CarbonylContact C-O 3.56Å; T427-V494 WeakPolarHBondContact CA-O 3.43Å; T427-Y495 HydrophobicContact CG2-CD1 3.54Å; T427-Y495 HydrophobicContact CG2-CE1 3.79Å; T427-Y495 HydrophobicContact CG2-CG 4.21Å
428	S	86.9	Confident	87.6	Confident	66 Å²	66	55.8 Å²	55.8	46%	0.462	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.5	178.7	56	0	0	0	0	115.4	V494	S428-V494 PolarHBondContact N-O 3.5Å; S428-V494 PolarHBondContact OG-N 2.98Å
429	R	86.6	Confident	88	Confident	180 Å²	180	54.9 Å²	54.9	68%	0.679	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-12.1	174.4	-50.6	-174.9	-170.6	-146.7	1	113.9	T427 T492 M493	T427-R429 PolarHBondContact O-N 2.82Å; T427-R429 VanDerWaalsContact O-N 3.12Å; R429-T492 PolarHBondContact NE-O 3.49Å; R429-T492 VanDerWaalsContact NE-O 3.08Å; R429-T492 PolarHBondContact NH2-O 2.92Å; R429-M493 HydrophobicContact CB-CE 3.7Å; R429-M493 HydrophobicContact CB-SD 4.27Å; R429-M493 VanDerWaalsContact CD-SD 3.57Å; R429-M493 HydrophobicContact CG-CE 3.85Å; R429-M493 HydrophobicContact CG-SD 3.71Å
430	D	83.8	Confident	88.1	Confident	52 Å²	52	51.5 Å²	51.5	28%	0.278	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	107.3	-177.6	-177.9	2.8	0	0	0	110.2	T427 L432 K434	T427-D430 PolarHBondContact N-O 3.13Å; T427-D430 CarbonylContact O-C 3.35Å; T427-D430 PolarHBondContact O-N 3.38Å; T427-D430 PolarHBondContact OG1-N 2.81Å; T427-D430 PolarHBondContact OG1-O 3.32Å; D430-L432 VanDerWaalsContact C-N 3.26Å; D430-L432 PolarHBondContact O-N 2.73Å; D430-L432 WeakPolarHBondContact OD1-CB 3.46Å; D430-L432 VanDerWaalsContact OD1-CG 3.25Å; D430-L432 WeakPolarHBondContact OD1-CG 3.46Å; D430-L432 PolarHBondContact OD1-N 2.9Å; D430-K434 WeakPolarHBondContact OD2-CE 3.3Å; D430-K434 IonicContact OD2-NZ 2.66Å; D430-K434 PolarHBondContact OD2-NZ 3.25Å
431	N	81.9	Confident	87.8	Confident	90 Å²	90	48.8 Å²	48.8	48%	0.481	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	4.1	-179.5	-164.7	25.3	0	0	0	113	Y426 R433	Y426-N431 VanDerWaalsContact CD2-OD1 3.23Å; Y426-N431 WeakPolarHBondContact CD2-OD1 3.48Å; Y426-N431 WeakPolarHBondContact CE2-OD1 3.22Å; N431-R433 PolarHBondContact O-N 3.41Å
432	L	84.9	Confident	87.2	Confident	121 Å²	121	48.8 Å²	48.8	63%	0.634	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68	114.6	172.4	-66.7	173.1	0	0	0	110.1	D430 K434	D430-L432 VanDerWaalsContact C-N 3.26Å; D430-L432 PolarHBondContact O-N 2.73Å; D430-L432 WeakPolarHBondContact OD1-CB 3.46Å; D430-L432 VanDerWaalsContact OD1-CG 3.25Å; D430-L432 WeakPolarHBondContact OD1-CG 3.46Å; D430-L432 PolarHBondContact OD1-N 2.9Å; L432-K434 WeakPolarHBondContact O-CG 3.09Å; L432-K434 PolarHBondContact O-N 3.39Å
433	R	83.1	Confident	86.9	Confident	151 Å²	151	50 Å²	50	57%	0.57	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-52.5	116.5	172.7	-176.7	-166.7	-172.5	-143	6.4	110.9	V424 N431 E499	V424-R433 HydrophobicContact CG1-CG 3.7Å; N431-R433 PolarHBondContact O-N 3.41Å; R433-E499 IonicContact CZ-OE1 2.92Å; R433-E499 IonicContact CZ-OE2 3.19Å; R433-E499 IonicContact NE-OE1 3.68Å; R433-E499 PolarHBondContact NE-OE1 3.31Å; R433-E499 IonicContact NE-OE2 2.66Å; R433-E499 VanDerWaalsContact NH2-CD 3.26Å; R433-E499 IonicContact NH2-OE1 3.76Å; R433-E499 PolarHBondContact NH2-OE1 2.88Å; R433-E499 IonicContact NH2-OE2 2.99Å; R433-E499 PolarHBondContact NH2-OE2 2.84Å
434	K	87.9	Confident	86.9	Confident	41 Å²	41	50.7 Å²	50.7	18%	0.178	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.9	179	-73.6	161.5	-171.1	170.5	0	110.5	V424 H425 D430 L432 Y457	V424-K434 WeakPolarHBondContact CA-O 3.43Å; H425-K434 PolarHBondContact N-O 2.84Å; H425-K434 PolarHBondContact O-N 2.99Å; H425-K434 VanDerWaalsContact O-O 3.1Å; D430-K434 WeakPolarHBondContact OD2-CE 3.3Å; D430-K434 IonicContact OD2-NZ 2.66Å; D430-K434 PolarHBondContact OD2-NZ 3.25Å; L432-K434 WeakPolarHBondContact O-CG 3.09Å; L432-K434 PolarHBondContact O-N 3.39Å; K434-Y457 PolarHBondContact NZ-OH 2.86Å
435	R	88.9	Confident	87.1	Confident	111 Å²	111	50.5 Å²	50.5	42%	0.419	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.5	174	-174.9	175	179.6	-88.4	2.3	108.8	W422 M423 V424 T513	W422-R435 VanDerWaalsContact CB-NH2 3.33Å; W422-R435 VanDerWaalsContact CD2-CZ 3.43Å; W422-R435 HydrophobicContact CE3-CG 3.94Å; W422-R435 HydrophobicContact CZ3-CG 4.44Å; M423-R435 WeakPolarHBondContact O-CA 3.29Å; V424-R435 HydrophobicContact CG2-CB 4.33Å; V424-R435 HydrophobicContact CG2-CG 4.19Å; R435-T513 VanDerWaalsContact CZ-O 3.3Å; R435-T513 PolarHBondContact NE-O 2.91Å; R435-T513 PolarHBondContact NH2-O 3.04Å
436	H	91.3	Very high	87.2	Confident	20 Å²	20	50.9 Å²	50.9	9%	0.093	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.8	-178	-75.2	94.7	0	0	0	110	W422 M423 H425 L447 F448 Y457	W422-H436 VanDerWaalsContact CE3-C 3.41Å; M423-H436 PolarHBondContact N-O 2.8Å; M423-H436 PolarHBondContact O-N 2.89Å; H425-H436 AromaticContact CE1-ND1 3.37Å; H425-H436 PolarHBondContact CE1-ND1 2.94Å; H425-H436 AromaticContact NE2-ND1 3.92Å; H436-L447 HydrophobicContact CB-CB 4.18Å; H436-F448 WeakPolarHBondContact CB-O 3.44Å; H436-F448 PolarHBondContact CD2-O 3.09Å; H436-Y457 AromaticContact CE1-CD1 3.75Å; H436-Y457 AromaticContact CE1-CG 3.66Å; H436-Y457 VanDerWaalsContact NE2-CB 3.25Å; H436-Y457 WeakPolarHBondContact NE2-CB 3.43Å; H436-Y457 AromaticContact NE2-CD1 3.94Å; H436-Y457 AromaticContact NE2-CD2 3.98Å; H436-Y457 AromaticContact NE2-CG 3.46Å
437	Y	89.3	Confident	87.4	Confident	11 Å²	11	50 Å²	50	4%	0.043	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	108.5	174.7	-167.3	-86.6	0	0	0	109	E420 W422 R439 F448 E451	E420-Y437 HydrophobicContact CB-CE1 3.87Å; E420-Y437 HydrophobicContact CG-CE1 4.15Å; E420-Y437 WeakPolarHBondContact OE2-CE1 3.37Å; E420-Y437 PolarHBondContact OE2-OH 2.78Å; W422-Y437 AromaticContact CD1-CD2 3.84Å; W422-Y437 AromaticContact CD2-CD2 3.81Å; W422-Y437 HydrophobicContact CD2-CD2 3.81Å; W422-Y437 AromaticContact CE2-CD2 3.64Å; W422-Y437 HydrophobicContact CE3-CD2 4.47Å; W422-Y437 AromaticContact CG-CD2 3.96Å; W422-Y437 HydrophobicContact CG-CD2 3.96Å; W422-Y437 HydrophobicContact CZ2-CD2 4.17Å; W422-Y437 AromaticContact NE1-CD2 3.62Å; Y437-R439 HydrophobicContact CD1-CG 4.34Å; Y437-R439 HydrophobicContact CE1-CG 4.28Å; Y437-F448 PolarHBondContact N-O 3.12Å; Y437-F448 WeakPolarHBondContact O-CA 3.49Å; Y437-F448 WeakPolarHBondContact O-CB 3.16Å; Y437-F448 PolarHBondContact O-N 2.79Å; Y437-E451 HydrophobicContact CD2-CB 3.73Å; Y437-E451 HydrophobicContact CD2-CG 4.1Å; Y437-E451 HydrophobicContact CE1-CB 4.49Å; Y437-E451 HydrophobicContact CE1-CG 4.21Å; Y437-E451 HydrophobicContact CE2-CB 3.7Å; Y437-E451 HydrophobicContact CE2-CG 3.52Å; Y437-E451 WeakPolarHBondContact CE2-OE1 3.49Å; Y437-E451 HydrophobicContact CG-CB 4.12Å; Y437-E451 VanDerWaalsContact CZ-OE1 3.25Å; Y437-E451 PolarHBondContact OH-OE1 3.15Å
438	W	92.6	Very high	87.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138.4	-175.7	-72.7	21	0	0	0	110	E420 G421 M423 H425 L445 L447 I488 V497 W523 I527	E420-W438 CarbonylContact C-O 3.54Å; E420-W438 WeakPolarHBondContact CA-O 3.28Å; G421-W438 PolarHBondContact N-O 2.85Å; G421-W438 PolarHBondContact O-N 3.42Å; M423-W438 HydrophobicContact CB-CD2 3.6Å; M423-W438 HydrophobicContact CB-CE3 4.03Å; M423-W438 HydrophobicContact CB-CG 3.85Å; M423-W438 HydrophobicContact CB-CZ2 4.29Å; M423-W438 HydrophobicContact CG-CD2 3.89Å; M423-W438 HydrophobicContact CG-CE3 3.88Å; M423-W438 HydrophobicContact CG-CG 4.18Å; M423-W438 HydrophobicContact CG-CZ3 4.48Å; H425-W438 HydrophobicContact CB-CZ2 4.12Å; H425-W438 AromaticContact CE1-NE1 3.84Å; H425-W438 AromaticContact CG-CZ2 3.97Å; H425-W438 AromaticContact ND1-CE2 3.97Å; H425-W438 AromaticContact ND1-CZ2 3.71Å; H425-W438 AromaticContact ND1-NE1 3.61Å; W438-L445 HydrophobicContact CB-CD1 4.25Å; W438-L445 HydrophobicContact CD2-CD1 4.22Å; W438-L445 HydrophobicContact CE3-CD1 3.8Å; W438-L445 HydrophobicContact CE3-CD2 3.91Å; W438-L445 HydrophobicContact CE3-CG 4.3Å; W438-L445 HydrophobicContact CG-CD1 4.47Å; W438-L445 HydrophobicContact CH2-CD2 4.19Å; W438-L445 HydrophobicContact CZ3-CD1 4.44Å; W438-L445 HydrophobicContact CZ3-CD2 3.72Å; W438-L447 HydrophobicContact CG-CG 4.44Å; W438-L447 HydrophobicContact CZ2-CD2 4.22Å; W438-I488 HydrophobicContact CH2-CD1 3.93Å; W438-I488 HydrophobicContact CZ3-CD1 4.05Å; W438-V497 HydrophobicContact CH2-CB 4.31Å; W438-V497 HydrophobicContact CH2-CG1 3.46Å; W438-V497 VanDerWaalsContact CH2-CG1 3.46Å; W438-V497 HydrophobicContact CH2-CG2 3.78Å; W438-V497 HydrophobicContact CZ2-CG1 4.22Å; W438-V497 HydrophobicContact CZ3-CG1 3.85Å; W438-W523 HydrophobicContact CB-CH2 3.55Å; W438-W523 HydrophobicContact CB-CZ2 3.9Å; W438-W523 HydrophobicContact CB-CZ3 4.06Å; W438-W523 HydrophobicContact CE3-CD2 4.48Å; W438-W523 HydrophobicContact CE3-CE3 4.17Å; W438-W523 HydrophobicContact CE3-CZ3 4.35Å; W438-I527 HydrophobicContact CZ3-CD1 4.17Å
439	R	90.7	Very high	87.4	Confident	54 Å²	54	52.5 Å²	52.5	20%	0.204	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.3	163.8	-67.6	-171	163.6	102.3	11.6	108.6	E420 Y437 L445 T446 F448 E451	E420-R439 HydrophobicContact CB-CG 3.88Å; E420-R439 IonicContact OE2-CZ 2.87Å; E420-R439 IonicContact OE2-NE 3.24Å; E420-R439 PolarHBondContact OE2-NE 3.34Å; E420-R439 IonicContact OE2-NH2 2.78Å; E420-R439 PolarHBondContact OE2-NH2 2.96Å; Y437-R439 HydrophobicContact CD1-CG 4.34Å; Y437-R439 HydrophobicContact CE1-CG 4.28Å; R439-L445 CarbonylContact O-C 3.56Å; R439-L445 WeakPolarHBondContact O-CA 3.3Å; R439-T446 PolarHBondContact N-O 2.92Å; R439-T446 PolarHBondContact O-N 2.81Å; R439-F448 HydrophobicContact CB-CD2 4.31Å; R439-F448 HydrophobicContact CB-CE2 4Å; R439-F448 HydrophobicContact CG-CD2 3.94Å; R439-F448 HydrophobicContact CG-CE2 3.89Å; R439-E451 PolarHBondContact NH1-O 2.81Å; R439-E451 PolarHBondContact NH2-O 3.12Å
440	L	89.3	Confident	87.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130	173.3	175	68	0	0	0	108.5	V418 K419 L445 L462 W523 A526 I527 A530	V418-L440 HydrophobicContact CB-CD2 4.27Å; V418-L440 HydrophobicContact CB-CG 4.14Å; V418-L440 HydrophobicContact CG1-CD2 4.09Å; V418-L440 HydrophobicContact CG1-CG 4.5Å; V418-L440 PolarHBondContact N-O 3.29Å; K419-L440 HydrophobicContact CB-CB 4.46Å; K419-L440 PolarHBondContact N-O 2.91Å; K419-L440 PolarHBondContact O-N 3.49Å; L440-L445 HydrophobicContact CB-CD1 4.1Å; L440-L445 HydrophobicContact CD1-CB 4.35Å; L440-L445 HydrophobicContact CD1-CD1 4.41Å; L440-L462 HydrophobicContact CD1-CD1 4.12Å; L440-L462 HydrophobicContact CD1-CD2 3.79Å; L440-L462 HydrophobicContact CD1-CG 4.43Å; L440-W523 HydrophobicContact CB-CZ3 3.94Å; L440-A526 HydrophobicContact CD2-CB 4.09Å; L440-I527 HydrophobicContact CD1-CG1 4.49Å; L440-I527 HydrophobicContact CD2-CG1 4Å; L440-A530 HydrophobicContact CD1-CB 3.91Å; L440-A530 HydrophobicContact CD2-CB 3.9Å; L440-A530 HydrophobicContact CG-CB 4.08Å
441	D	85.8	Confident	87.3	Confident	26 Å²	26	51 Å²	51	14%	0.139	24%	0.236	C	C	.	.			trans	-126.9	-161.5	171.1	75.1	16.6	0	0	0	111.3	S415 K443 C444 L462	S415-D441 WeakPolarHBondContact CB-OD2 3.46Å; S415-D441 PolarHBondContact OG-OD2 2.89Å; D441-K443 PolarHBondContact O-N 2.94Å; D441-K443 WeakPolarHBondContact OD1-CA 2.88Å; D441-K443 PolarHBondContact OD1-N 2.63Å; D441-C444 PolarHBondContact N-O 3.07Å; D441-C444 PolarHBondContact OD1-N 2.82Å; D441-L462 WeakPolarHBondContact O-CD1 3.48Å
442	S	76	Confident	86.9	Confident	15 Å²	15	52.5 Å²	52.5	11%	0.105	25%	0.253	C	S	.	.	S	Bend	trans	-75.9	-4	179.5	64.3	0	0	0	0	115	D579	S442-D579 PolarHBondContact OG-OD1 2.91Å
443	K	80.6	Confident	86.2	Confident	84 Å²	84	47.9 Å²	47.9	37%	0.365	24%	0.235	S	C	.	.	S	Bend	trans	-132	-37	-169.8	-53.2	-159.8	-178.6	-149.3	0	113.7	D441 L462 D579	D441-K443 PolarHBondContact O-N 2.94Å; D441-K443 WeakPolarHBondContact OD1-CA 2.88Å; D441-K443 PolarHBondContact OD1-N 2.63Å; K443-L462 PolarHBondContact O-N 3.38Å; K443-D579 VanDerWaalsContact CE-CG 3.43Å; K443-D579 WeakPolarHBondContact CE-OD1 3.38Å; K443-D579 WeakPolarHBondContact CE-OD2 2.99Å; K443-D579 IonicContact NZ-OD1 3.87Å; K443-D579 PolarHBondContact NZ-OD1 3.33Å; K443-D579 IonicContact NZ-OD2 2.77Å; K443-D579 PolarHBondContact NZ-OD2 2.9Å
444	C	88.9	Confident	85.8	Confident	15 Å²	15	47 Å²	47	10%	0.101	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.4	-177.6	54.7	0	0	0	0	113.8	D441 T446 E459 I460	D441-C444 PolarHBondContact N-O 3.07Å; D441-C444 PolarHBondContact OD1-N 2.82Å; C444-T446 PolarHBondContact SG-OG1 2.86Å; C444-E459 HydrophobicContact CB-CG 3.78Å; C444-E459 PolarHBondContact SG-OE1 2.83Å; C444-E459 VanDerWaalsContact SG-OE1 3.33Å; C444-I460 WeakPolarHBondContact CA-O 3.27Å
445	L	92.4	Very high	85.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.9	162.4	176.8	66.3	0	0	0	107.6	W438 R439 L440 L447 I460 I488 W523 I527	W438-L445 HydrophobicContact CB-CD1 4.25Å; W438-L445 HydrophobicContact CD2-CD1 4.22Å; W438-L445 HydrophobicContact CE3-CD1 3.8Å; W438-L445 HydrophobicContact CE3-CD2 3.91Å; W438-L445 HydrophobicContact CE3-CG 4.3Å; W438-L445 HydrophobicContact CG-CD1 4.47Å; W438-L445 HydrophobicContact CH2-CD2 4.19Å; W438-L445 HydrophobicContact CZ3-CD1 4.44Å; W438-L445 HydrophobicContact CZ3-CD2 3.72Å; R439-L445 CarbonylContact O-C 3.56Å; R439-L445 WeakPolarHBondContact O-CA 3.3Å; L440-L445 HydrophobicContact CB-CD1 4.1Å; L440-L445 HydrophobicContact CD1-CB 4.35Å; L440-L445 HydrophobicContact CD1-CD1 4.41Å; L445-L447 HydrophobicContact CG-CD1 4.17Å; L445-L447 WeakPolarHBondContact O-CD1 3.12Å; L445-I460 HydrophobicContact CB-CB 4.45Å; L445-I460 PolarHBondContact N-O 2.86Å; L445-I460 PolarHBondContact O-N 2.92Å; L445-I488 HydrophobicContact CD2-CD1 3.84Å; L445-W523 HydrophobicContact CD1-CZ3 4.15Å; L445-I527 HydrophobicContact CD2-CD1 4.12Å
446	T	92	Very high	85.2	Confident	8 Å²	8	52.7 Å²	52.7	5%	0.049	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.8	-171.7	-52.2	0	0	0	0	110.9	R439 C444 F448 Y456 E459	R439-T446 PolarHBondContact N-O 2.92Å; R439-T446 PolarHBondContact O-N 2.81Å; C444-T446 PolarHBondContact SG-OG1 2.86Å; T446-F448 HydrophobicContact CG2-CD2 4.19Å; T446-F448 HydrophobicContact CG2-CE2 3.55Å; T446-F448 HydrophobicContact CG2-CZ 3.74Å; T446-Y456 HydrophobicContact CG2-CD1 3.94Å; T446-Y456 HydrophobicContact CG2-CD2 4.47Å; T446-Y456 HydrophobicContact CG2-CG 3.8Å; T446-E459 HydrophobicContact CG2-CB 4.24Å; T446-E459 HydrophobicContact CG2-CG 4.42Å; T446-E459 WeakPolarHBondContact OG1-CG 3.4Å; T446-E459 PolarHBondContact OG1-OE1 2.87Å
447	L	92.8	Very high	85.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	90.2	-168.1	-69	71.1	0	0	0	109.4	H436 W438 L445 Y456 Y457 K458 I460	H436-L447 HydrophobicContact CB-CB 4.18Å; W438-L447 HydrophobicContact CG-CG 4.44Å; W438-L447 HydrophobicContact CZ2-CD2 4.22Å; L445-L447 HydrophobicContact CG-CD1 4.17Å; L445-L447 WeakPolarHBondContact O-CD1 3.12Å; L447-Y456 CarbonylContact O-C 3.59Å; L447-Y456 WeakPolarHBondContact O-CA 3.41Å; L447-Y456 WeakPolarHBondContact O-CB 3.19Å; L447-Y457 HydrophobicContact CD2-CD1 4.45Å; L447-Y457 PolarHBondContact O-N 3.15Å; L447-K458 WeakPolarHBondContact CB-O 3.44Å; L447-K458 PolarHBondContact N-O 3.04Å; L447-I460 HydrophobicContact CD1-CD1 3.95Å; L447-I460 HydrophobicContact CD1-CG1 4.14Å
448	F	89.3	Confident	85	Confident	29 Å²	29	58.9 Å²	58.9	13%	0.127	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	144.9	-179.7	-68.5	-88.9	0	0	0	112.4	H436 Y437 R439 T446 G453	H436-F448 WeakPolarHBondContact CB-O 3.44Å; H436-F448 PolarHBondContact CD2-O 3.09Å; Y437-F448 PolarHBondContact N-O 3.12Å; Y437-F448 WeakPolarHBondContact O-CA 3.49Å; Y437-F448 WeakPolarHBondContact O-CB 3.16Å; Y437-F448 PolarHBondContact O-N 2.79Å; R439-F448 HydrophobicContact CB-CD2 4.31Å; R439-F448 HydrophobicContact CB-CE2 4Å; R439-F448 HydrophobicContact CG-CD2 3.94Å; R439-F448 HydrophobicContact CG-CE2 3.89Å; T446-F448 HydrophobicContact CG2-CD2 4.19Å; T446-F448 HydrophobicContact CG2-CE2 3.55Å; T446-F448 HydrophobicContact CG2-CZ 3.74Å; F448-G453 WeakPolarHBondContact CD1-O 3.18Å
449	Q	88.2	Confident	84.9	Confident	94 Å²	94	62.3 Å²	62.3	44%	0.439	31%	0.313	S	S	.	.	S	Bend	trans	-69.3	-45.2	174.3	-66.6	178.9	-11.6	0	0	110.8	K455	Q449-K455 PolarHBondContact N-O 3.17Å; Q449-K455 VanDerWaalsContact N-O 3.15Å
450	N	84.2	Confident	84.9	Confident	103 Å²	103	59.8 Å²	59.8	55%	0.551	30%	0.304	S	S	*	.	S	Bend	trans	-129.6	145.8	178.6	-64	-15.1	0	0	0	109.8	S452 G453	N450-S452 VanDerWaalsContact C-N 3.33Å; N450-S452 PolarHBondContact O-N 3.09Å; N450-G453 PolarHBondContact O-N 3.41Å
451	E	82.6	Confident	84.9	Confident	98 Å²	98	61.7 Å²	61.7	46%	0.458	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-45.5	179.1	175	158.3	-135.6	0	0	114.6	Y437 R439	Y437-E451 HydrophobicContact CD2-CB 3.73Å; Y437-E451 HydrophobicContact CD2-CG 4.1Å; Y437-E451 HydrophobicContact CE1-CB 4.49Å; Y437-E451 HydrophobicContact CE1-CG 4.21Å; Y437-E451 HydrophobicContact CE2-CB 3.7Å; Y437-E451 HydrophobicContact CE2-CG 3.52Å; Y437-E451 WeakPolarHBondContact CE2-OE1 3.49Å; Y437-E451 HydrophobicContact CG-CB 4.12Å; Y437-E451 VanDerWaalsContact CZ-OE1 3.25Å; Y437-E451 PolarHBondContact OH-OE1 3.15Å; R439-E451 PolarHBondContact NH1-O 2.81Å; R439-E451 PolarHBondContact NH2-O 3.12Å
452	S	74.5	Confident	84.8	Confident	121 Å²	121	60.4 Å²	60.4	85%	0.846	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	6	179.5	55	0	0	0	0	114.4	N450	N450-S452 VanDerWaalsContact C-N 3.33Å; N450-S452 PolarHBondContact O-N 3.09Å
453	G	69.6	Low	85	Confident	24 Å²	24	60.7 Å²	60.7	25%	0.247	31%	0.311	C	S	.	.			trans	-89.8	146.4	-177.2	0	0	0	0	0	113.4	F448 N450	F448-G453 WeakPolarHBondContact CD1-O 3.18Å; N450-G453 PolarHBondContact O-N 3.41Å
454	T	75.6	Confident	85.3	Confident	134 Å²	134	59.9 Å²	59.9	82%	0.822	31%	0.309	S	S	*	.	S	Bend	trans	-83.3	-13	169.6	52.2	0	0	0	0	113.5	Y456	T454-Y456 PolarHBondContact O-N 3.5Å
455	K	80.3	Confident	85.2	Confident	152 Å²	152	59.2 Å²	59.2	66%	0.661	30%	0.304	S	S	*	.			trans	-81.7	115	177.1	-71.1	-172.6	176	-176.1	0	111.2	Q449	Q449-K455 PolarHBondContact N-O 3.17Å; Q449-K455 VanDerWaalsContact N-O 3.15Å
456	Y	83.7	Confident	84.7	Confident	118 Å²	118	61.6 Å²	61.6	46%	0.463	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	155.2	166.5	60.5	-101.7	0	0	0	112	T446 L447 T454 E459	T446-Y456 HydrophobicContact CG2-CD1 3.94Å; T446-Y456 HydrophobicContact CG2-CD2 4.47Å; T446-Y456 HydrophobicContact CG2-CG 3.8Å; L447-Y456 CarbonylContact O-C 3.59Å; L447-Y456 WeakPolarHBondContact O-CA 3.41Å; L447-Y456 WeakPolarHBondContact O-CB 3.19Å; T454-Y456 PolarHBondContact O-N 3.5Å; Y456-E459 HydrophobicContact CD2-CB 4.37Å; Y456-E459 HydrophobicContact CE2-CB 4.09Å
457	Y	87.8	Confident	84.3	Confident	95 Å²	95	65.9 Å²	65.9	37%	0.373	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-43.1	174.4	161.9	-101.7	0	0	0	111.6	K434 H436 L447	K434-Y457 PolarHBondContact NZ-OH 2.86Å; H436-Y457 AromaticContact CE1-CD1 3.75Å; H436-Y457 AromaticContact CE1-CG 3.66Å; H436-Y457 VanDerWaalsContact NE2-CB 3.25Å; H436-Y457 WeakPolarHBondContact NE2-CB 3.43Å; H436-Y457 AromaticContact NE2-CD1 3.94Å; H436-Y457 AromaticContact NE2-CD2 3.98Å; H436-Y457 AromaticContact NE2-CG 3.46Å; L447-Y457 HydrophobicContact CD2-CD1 4.45Å; L447-Y457 PolarHBondContact O-N 3.15Å
458	K	88.6	Confident	84	Confident	67 Å²	67	66.1 Å²	66.1	29%	0.291	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	147.1	174.9	171.8	64.2	173	140.8	0	108.6	L447 I460 E464	L447-K458 WeakPolarHBondContact CB-O 3.44Å; L447-K458 PolarHBondContact N-O 3.04Å; K458-I460 HydrophobicContact CG-CG1 3.88Å; K458-E464 IonicContact NZ-OE2 2.76Å; K458-E464 PolarHBondContact NZ-OE2 3.28Å
459	E	91.2	Very high	83.7	Confident	71 Å²	71	65.6 Å²	65.6	33%	0.332	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131	164.2	-179.3	154.8	-100.3	0	0	107.7	C444 T446 Y456	C444-E459 HydrophobicContact CB-CG 3.78Å; C444-E459 PolarHBondContact SG-OE1 2.83Å; C444-E459 VanDerWaalsContact SG-OE1 3.33Å; T446-E459 HydrophobicContact CG2-CB 4.24Å; T446-E459 HydrophobicContact CG2-CG 4.42Å; T446-E459 WeakPolarHBondContact OG1-CG 3.4Å; T446-E459 PolarHBondContact OG1-OE1 2.87Å; Y456-E459 HydrophobicContact CD2-CB 4.37Å; Y456-E459 HydrophobicContact CE2-CB 4.09Å
460	I	90	Very high	83.3	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	99	177.5	-52.3	172.9	0	0	0	106.6	C444 L445 L447 K458 L462 I465 T490 Y495	C444-I460 WeakPolarHBondContact CA-O 3.27Å; L445-I460 HydrophobicContact CB-CB 4.45Å; L445-I460 PolarHBondContact N-O 2.86Å; L445-I460 PolarHBondContact O-N 2.92Å; L447-I460 HydrophobicContact CD1-CD1 3.95Å; L447-I460 HydrophobicContact CD1-CG1 4.14Å; K458-I460 HydrophobicContact CG-CG1 3.88Å; I460-L462 PolarHBondContact O-N 2.85Å; I460-I465 HydrophobicContact CG2-CD1 4.39Å; I460-I465 HydrophobicContact CG2-CG1 3.96Å; I460-T490 HydrophobicContact CG2-CG2 4.31Å; I460-Y495 HydrophobicContact CD1-CD1 4.28Å; I460-Y495 HydrophobicContact CD1-CD2 4.16Å; I460-Y495 HydrophobicContact CD1-CE1 3.85Å; I460-Y495 HydrophobicContact CD1-CE2 3.72Å; I460-Y495 HydrophobicContact CD1-CG 4.44Å; I460-Y495 HydrophobicContact CG1-CE2 4.46Å
461	P	87.9	Confident	82.5	Confident	40 Å²	40	63 Å²	63	26%	0.26	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	134	167.6	-27.8	35.4	0	0	0	110.7	S463 E464	P461-S463 PolarHBondContact O-N 3.38Å; P461-E464 HydrophobicContact CB-CG 4.24Å; P461-E464 WeakPolarHBondContact CD-OE1 3.44Å; P461-E464 HydrophobicContact CG-CG 4.39Å; P461-E464 WeakPolarHBondContact CG-OE1 3.14Å; P461-E464 WeakPolarHBondContact O-CB 3.23Å; P461-E464 PolarHBondContact O-N 2.75Å
462	L	84.9	Confident	81	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.7	179.4	-69.9	-179.8	0	0	0	112.6	L440 D441 K443 I460 I465 A530 L531 R596	L440-L462 HydrophobicContact CD1-CD1 4.12Å; L440-L462 HydrophobicContact CD1-CD2 3.79Å; L440-L462 HydrophobicContact CD1-CG 4.43Å; D441-L462 WeakPolarHBondContact O-CD1 3.48Å; K443-L462 PolarHBondContact O-N 3.38Å; I460-L462 PolarHBondContact O-N 2.85Å; L462-I465 HydrophobicContact CD2-CD1 3.73Å; L462-A530 HydrophobicContact CD1-CB 3.9Å; L462-L531 HydrophobicContact CB-CD2 4.22Å; L462-L531 HydrophobicContact CD2-CD2 4.39Å; L462-L531 WeakPolarHBondContact O-CD2 3.37Å; L462-R596 PolarHBondContact O-NH1 3.11Å
463	S	79.8	Confident	79.8	Confident	20 Å²	20	69.5 Å²	69.5	14%	0.14	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-32.7	172.8	-30.4	0	0	0	0	112.8	P461 I465 Q575	P461-S463 PolarHBondContact O-N 3.38Å; S463-I465 VanDerWaalsContact C-N 3.27Å; S463-I465 PolarHBondContact O-N 2.78Å; S463-Q575 VanDerWaalsContact CA-OE1 3.24Å; S463-Q575 PolarHBondContact OG-OE1 3.31Å
464	E	86.1	Confident	79.1	Confident	68 Å²	68	72.8 Å²	72.8	32%	0.318	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-21.1	179.5	-70.1	174.4	-161.3	0	0	111.7	K458 P461 L466 T490	K458-E464 IonicContact NZ-OE2 2.76Å; K458-E464 PolarHBondContact NZ-OE2 3.28Å; P461-E464 HydrophobicContact CB-CG 4.24Å; P461-E464 WeakPolarHBondContact CD-OE1 3.44Å; P461-E464 HydrophobicContact CG-CG 4.39Å; P461-E464 WeakPolarHBondContact CG-OE1 3.14Å; P461-E464 WeakPolarHBondContact O-CB 3.23Å; P461-E464 PolarHBondContact O-N 2.75Å; E464-L466 PolarHBondContact O-N 2.83Å; E464-T490 HydrophobicContact CB-CG2 4.38Å; E464-T490 VanDerWaalsContact O-CA 3.26Å; E464-T490 WeakPolarHBondContact O-CA 3.41Å; E464-T490 VanDerWaalsContact O-CB 3.25Å; E464-T490 WeakPolarHBondContact O-CB 3.21Å
465	I	87.5	Confident	77.7	Confident	1 Å²	1	71 Å²	71	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	109.4	174.2	-56.7	-179.5	0	0	0	108.5	I460 L462 S463 V468 I488 I527 L531 R596	I460-I465 HydrophobicContact CG2-CD1 4.39Å; I460-I465 HydrophobicContact CG2-CG1 3.96Å; L462-I465 HydrophobicContact CD2-CD1 3.73Å; S463-I465 VanDerWaalsContact C-N 3.27Å; S463-I465 PolarHBondContact O-N 2.78Å; I465-V468 HydrophobicContact CG2-CG2 3.99Å; I465-I488 HydrophobicContact CB-CG2 4.3Å; I465-I488 HydrophobicContact CD1-CG2 3.77Å; I465-I488 HydrophobicContact CG1-CG2 3.73Å; I465-I488 HydrophobicContact CG2-CG2 3.75Å; I465-I527 HydrophobicContact CD1-CG2 4.28Å; I465-L531 HydrophobicContact CB-CD2 4.23Å; I465-L531 HydrophobicContact CG2-CD1 4.11Å; I465-L531 HydrophobicContact CG2-CD2 4.39Å; I465-R596 PolarHBondContact O-NH1 3.33Å
466	L	82.5	Confident	75.9	Confident	49 Å²	49	71 Å²	71	26%	0.257	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-38.6	176.1	-58.3	-176.6	0	0	0	111	E464 I489 R596 K597	E464-L466 PolarHBondContact O-N 2.83Å; L466-I489 PolarHBondContact N-O 3.44Å; L466-R596 HydrophobicContact CD2-CB 3.89Å; L466-K597 HydrophobicContact CD2-CG 4.47Å
467	Q	83.1	Confident	74.2	Confident	98 Å²	98	69 Å²	69	46%	0.458	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152.8	-179.5	-153.3	175.9	10.8	0	0	111.7	T469 I489	Q467-T469 HydrophobicContact CG-CG2 4.04Å; Q467-I489 HydrophobicContact CB-CB 4.3Å; Q467-I489 HydrophobicContact CB-CD1 4.39Å; Q467-I489 PolarHBondContact N-O 3.28Å; Q467-I489 PolarHBondContact O-N 3.36Å
468	V	85.9	Confident	72.1	Confident	5 Å²	5	70.5 Å²	70.5	3%	0.03	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.7	162.1	-179.4	0	0	0	0	107.2	I465 F486 E487 E524 I527 R528 L531	I465-V468 HydrophobicContact CG2-CG2 3.99Å; V468-F486 HydrophobicContact CG1-CD2 3.94Å; V468-F486 HydrophobicContact CG1-CE2 4.45Å; V468-E487 WeakPolarHBondContact CA-O 3.21Å; V468-E524 HydrophobicContact CG1-CG 3.7Å; V468-I527 HydrophobicContact CG2-CG2 3.97Å; V468-R528 VanDerWaalsContact O-CZ 3.28Å; V468-R528 PolarHBondContact O-NH1 3.03Å; V468-R528 PolarHBondContact O-NH2 3.47Å; V468-L531 HydrophobicContact CG2-CD1 3.95Å
469	T	84.1	Confident	69.7	Low	18 Å²	18	76.9 Å²	76.9	11%	0.11	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.6	-174.6	31.6	0	0	0	0	111.2	Q467 F486 E487 I489	Q467-T469 HydrophobicContact CG-CG2 4.04Å; T469-F486 CarbonylContact O-C 3.56Å; T469-F486 WeakPolarHBondContact O-CA 3.3Å; T469-F486 WeakPolarHBondContact O-CB 3.35Å; T469-E487 PolarHBondContact N-O 2.95Å; T469-E487 VanDerWaalsContact N-O 3.13Å; T469-E487 PolarHBondContact O-N 2.74Å; T469-E487 WeakPolarHBondContact OG1-CB 3.09Å; T469-E487 PolarHBondContact OG1-OE2 3.15Å; T469-I489 HydrophobicContact CG2-CD1 4.5Å
470	Q	79.2	Confident	67.7	Low	109 Å²	109	76.8 Å²	76.8	51%	0.509	41%	0.407	S	S	.	.			trans	-85.8	152.9	163.7	-70	-177.9	-7.3	0	0	109.1	R472 E524	Q470-R472 PolarHBondContact O-N 3.02Å; Q470-E524 PolarHBondContact NE2-OE1 2.77Å; Q470-E524 PolarHBondContact NE2-OE2 2.81Å
471	P	66.9	Low	66	Low	33 Å²	33	78.8 Å²	78.8	21%	0.214	42%	0.421	C	S	.	.			trans	-59.6	125.9	-176.2	-21.2	31.7	0	0	0	111.5	F474 Y484 C485	P471-F474 HydrophobicContact CB-CE1 4.12Å; P471-F474 HydrophobicContact CB-CE2 3.96Å; P471-F474 HydrophobicContact CB-CZ 3.6Å; P471-F474 HydrophobicContact CG-CE2 4.37Å; P471-F474 HydrophobicContact CG-CZ 3.78Å; P471-Y484 HydrophobicContact CB-CE2 3.97Å; P471-Y484 HydrophobicContact CG-CD2 3.89Å; P471-Y484 HydrophobicContact CG-CE2 3.69Å; P471-C485 WeakPolarHBondContact CD-O 3.27Å
472	R	52.3	Low	64.8	Low	223 Å²	223	79.8 Å²	79.8	84%	0.842	42%	0.424	S	S	*	.			trans	-84.1	113.8	170.4	-68.6	-177.4	176	-173	-2	108.9	Q470	Q470-R472 PolarHBondContact O-N 3.02Å
473	D	49.6	Very low	64.1	Low	133 Å²	133	82.6 Å²	82.6	71%	0.711	44%	0.442	S	S	*	.			trans	34.6	102	171.7	-63.8	-42.8	0	0	0	117	S475	D473-S475 PolarHBondContact O-N 2.92Å
474	F	54	Low	64	Low	94 Å²	94	82.6 Å²	82.6	41%	0.412	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-60.5	1.6	175.1	-66.1	-80.6	0	0	0	115.4	P471 N476 M477	P471-F474 HydrophobicContact CB-CE1 4.12Å; P471-F474 HydrophobicContact CB-CE2 3.96Å; P471-F474 HydrophobicContact CB-CZ 3.6Å; P471-F474 HydrophobicContact CG-CE2 4.37Å; P471-F474 HydrophobicContact CG-CZ 3.78Å; F474-N476 PolarHBondContact O-N 3.32Å; F474-M477 HydrophobicContact CD1-CG 4.26Å; F474-M477 HydrophobicContact CD1-SD 3.73Å; F474-M477 HydrophobicContact CE1-SD 4.21Å; F474-M477 PolarHBondContact O-N 2.68Å
475	S	47.1	Very low	63.8	Low	97 Å²	97	79.9 Å²	79.9	68%	0.678	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.5	-176.1	54.7	0	0	0	0	114.8	D473	D473-S475 PolarHBondContact O-N 2.92Å
476	N	42.7	Very low	63.8	Low	152 Å²	152	79.9 Å²	79.9	81%	0.813	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-112.2	12.3	-177.2	-74	-35.6	0	0	0	114.3	F474 V478	F474-N476 PolarHBondContact O-N 3.32Å; N476-V478 PolarHBondContact O-N 2.63Å
477	M	46.6	Very low	64.2	Low	76 Å²	76	79.1 Å²	79.1	37%	0.374	42%	0.423	S	S	.	.			trans	-72.7	130.8	-179.8	-66.5	-143.8	84.7	0	0	112.5	F474 S481 Y484	F474-M477 HydrophobicContact CD1-CG 4.26Å; F474-M477 HydrophobicContact CD1-SD 3.73Å; F474-M477 HydrophobicContact CE1-SD 4.21Å; F474-M477 PolarHBondContact O-N 2.68Å; M477-S481 VanDerWaalsContact CE-OG 3.24Å; M477-S481 WeakPolarHBondContact CE-OG 3.23Å; M477-Y484 HydrophobicContact CE-CE1 3.91Å; M477-Y484 HydrophobicContact SD-CE1 4.19Å
478	V	43.5	Very low	64.5	Low	125 Å²	125	74.4 Å²	74.4	76%	0.758	40%	0.401	S	S	*	.			trans	-65.1	135.9	174.9	-179.7	0	0	0	0	110	N476 G480 S481	N476-V478 PolarHBondContact O-N 2.63Å; V478-G480 PolarHBondContact O-N 2.81Å; V478-S481 PolarHBondContact O-N 3.39Å; V478-S481 PolarHBondContact O-OG 2.84Å
479	Q	38.4	Very low	64.6	Low	202 Å²	202	76.1 Å²	76.1	94%	0.944	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	103.9	-179.6	-67.9	175.9	-41.2	0	0	111.6
480	G	50	Low	64.8	Low	68 Å²	68	75.8 Å²	75.8	70%	0.701	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	134.8	-6.8	178.7	0	0	0	0	0	116.1	V478	V478-G480 PolarHBondContact O-N 2.81Å
481	S	54.2	Low	65	Low	44 Å²	44	76 Å²	76	31%	0.308	41%	0.412	S	S	.	.			trans	-75.6	136.4	173.7	53.6	0	0	0	0	112.8	M477 V478	M477-S481 VanDerWaalsContact CE-OG 3.24Å; M477-S481 WeakPolarHBondContact CE-OG 3.23Å; V478-S481 PolarHBondContact O-N 3.39Å; V478-S481 PolarHBondContact O-OG 2.84Å
482	N	63.1	Low	65.8	Low	61 Å²	61	78 Å²	78	33%	0.326	42%	0.423	S	S	.	.			trans	-69.2	135.6	174.5	-61.8	-64.2	0	0	0	110.8	Y426 Y484	Y426-N482 HydrophobicContact CE1-CB 3.97Å; Y426-N482 PolarHBondContact OH-O 2.93Å; Y426-N482 VanDerWaalsContact OH-O 3.09Å; N482-Y484 PolarHBondContact O-N 3.29Å
483	P	69.2	Low	67.5	Low	58 Å²	58	69.1 Å²	69.1	38%	0.377	39%	0.392	S	S	.	.			trans	-75.7	110.4	-178.3	29.9	-34.4	0	0	0	111.3	E499 N500	P483-E499 CarbonylContact O-C 3.55Å; P483-E499 WeakPolarHBondContact O-CA 3.11Å; P483-N500 HydrophobicContact CB-CB 4.4Å; P483-N500 WeakPolarHBondContact CG-O 3.4Å; P483-N500 PolarHBondContact O-N 3.36Å
484	Y	78.3	Confident	69.4	Low	20 Å²	20	64.4 Å²	64.4	8%	0.078	37%	0.368	C	S	.	.			trans	-95.4	164.8	179.9	60.7	-81.4	0	0	0	112.4	Y426 P471 M477 N482 E487 F496	Y426-Y484 WeakPolarHBondContact OH-CD1 3.41Å; P471-Y484 HydrophobicContact CB-CE2 3.97Å; P471-Y484 HydrophobicContact CG-CD2 3.89Å; P471-Y484 HydrophobicContact CG-CE2 3.69Å; M477-Y484 HydrophobicContact CE-CE1 3.91Å; M477-Y484 HydrophobicContact SD-CE1 4.19Å; N482-Y484 PolarHBondContact O-N 3.29Å; Y484-E487 HydrophobicContact CD2-CG 4.02Å; Y484-E487 HydrophobicContact CE2-CG 3.4Å; Y484-E487 VanDerWaalsContact CE2-CG 3.4Å; Y484-E487 WeakPolarHBondContact CE2-OE1 3.19Å; Y484-E487 PolarHBondContact OH-OE1 3.31Å; Y484-F496 HydrophobicContact CD1-CB 4.39Å; Y484-F496 HydrophobicContact CD1-CD1 4.06Å; Y484-F496 HydrophobicContact CD2-CB 4.37Å; Y484-F496 AromaticContact CD2-CD1 3.99Å; Y484-F496 HydrophobicContact CD2-CD1 3.99Å; Y484-F496 AromaticContact CE1-CD1 3.87Å; Y484-F496 HydrophobicContact CE1-CD1 3.87Å; Y484-F496 HydrophobicContact CE1-CE1 4.33Å; Y484-F496 AromaticContact CE2-CD1 3.78Å; Y484-F496 HydrophobicContact CE2-CD1 3.78Å; Y484-F496 HydrophobicContact CE2-CE1 4.39Å; Y484-F496 HydrophobicContact CG-CB 4.04Å; Y484-F496 HydrophobicContact CG-CD1 4.11Å; Y484-F496 AromaticContact CZ-CD1 3.69Å
485	C	81.9	Confident	71.1	Confident	12 Å²	12	60.6 Å²	60.6	8%	0.081	35%	0.351	C	S	.	.	S	Bend	trans	-103.5	-32.9	-176	-64	0	0	0	0	113.9	P471 V497 E499 L517 A520	P471-C485 WeakPolarHBondContact CD-O 3.27Å; C485-V497 WeakPolarHBondContact CB-O 3.33Å; C485-V497 PolarHBondContact N-O 3.24Å; C485-E499 VanDerWaalsContact SG-C 3.52Å; C485-L517 HydrophobicContact CB-CD1 4.4Å; C485-A520 HydrophobicContact CB-CB 3.33Å
486	F	87.6	Confident	73	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	170.4	173.3	69.1	-87	0	0	0	111	M423 V468 T469 I488 V497 A520 W523 E524 I527	M423-F486 HydrophobicContact CE-CE1 4.3Å; V468-F486 HydrophobicContact CG1-CD2 3.94Å; V468-F486 HydrophobicContact CG1-CE2 4.45Å; T469-F486 CarbonylContact O-C 3.56Å; T469-F486 WeakPolarHBondContact O-CA 3.3Å; T469-F486 WeakPolarHBondContact O-CB 3.35Å; F486-I488 HydrophobicContact CD2-CG1 4.19Å; F486-I488 HydrophobicContact CE2-CD1 4.03Å; F486-I488 HydrophobicContact CE2-CG1 3.76Å; F486-V497 HydrophobicContact CD1-CB 4.2Å; F486-V497 HydrophobicContact CD1-CG1 4.34Å; F486-V497 HydrophobicContact CD2-CB 4.15Å; F486-V497 HydrophobicContact CD2-CG2 4.44Å; F486-V497 HydrophobicContact CE1-CB 3.94Å; F486-V497 HydrophobicContact CE1-CG1 3.6Å; F486-V497 HydrophobicContact CE2-CB 3.9Å; F486-V497 HydrophobicContact CE2-CG1 3.98Å; F486-V497 HydrophobicContact CE2-CG2 4.11Å; F486-V497 HydrophobicContact CG-CB 4.31Å; F486-V497 HydrophobicContact CZ-CB 3.8Å; F486-V497 HydrophobicContact CZ-CG1 3.4Å; F486-V497 VanDerWaalsContact CZ-CG1 3.4Å; F486-V497 HydrophobicContact CZ-CG2 4.38Å; F486-V497 PolarHBondContact N-O 3.06Å; F486-V497 VanDerWaalsContact N-O 3.14Å; F486-V497 PolarHBondContact O-N 2.84Å; F486-A520 HydrophobicContact CD1-CB 4.11Å; F486-A520 HydrophobicContact CE1-CB 4.09Å; F486-A520 VanDerWaalsContact CE1-O 3.23Å; F486-A520 WeakPolarHBondContact CE1-O 3.48Å; F486-W523 HydrophobicContact CE1-CB 4.33Å; F486-W523 HydrophobicContact CZ-CB 4.2Å; F486-E524 HydrophobicContact CB-CG 4.23Å; F486-E524 HydrophobicContact CD1-CB 4.01Å; F486-E524 HydrophobicContact CD1-CG 4.46Å; F486-E524 HydrophobicContact CD2-CB 4.35Å; F486-E524 HydrophobicContact CD2-CG 4.18Å; F486-E524 HydrophobicContact CE1-CB 4.15Å; F486-E524 HydrophobicContact CE2-CB 4.46Å; F486-E524 HydrophobicContact CG-CB 4.12Å; F486-E524 HydrophobicContact CG-CG 4.07Å; F486-E524 HydrophobicContact CZ-CB 4.36Å; F486-I527 HydrophobicContact CE2-CD1 4.16Å; F486-I527 HydrophobicContact CZ-CD1 4.2Å
487	E	90	Very high	75.2	Confident	32 Å²	32	50.5 Å²	50.5	15%	0.15	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.6	179.5	-48.4	168	150.9	0	0	110.2	V468 T469 Y484 I489 V494 Y495 F496	V468-E487 WeakPolarHBondContact CA-O 3.21Å; T469-E487 PolarHBondContact N-O 2.95Å; T469-E487 VanDerWaalsContact N-O 3.13Å; T469-E487 PolarHBondContact O-N 2.74Å; T469-E487 WeakPolarHBondContact OG1-CB 3.09Å; T469-E487 PolarHBondContact OG1-OE2 3.15Å; Y484-E487 HydrophobicContact CD2-CG 4.02Å; Y484-E487 HydrophobicContact CE2-CG 3.4Å; Y484-E487 VanDerWaalsContact CE2-CG 3.4Å; Y484-E487 WeakPolarHBondContact CE2-OE1 3.19Å; Y484-E487 PolarHBondContact OH-OE1 3.31Å; E487-I489 HydrophobicContact CB-CG1 4.5Å; E487-V494 HydrophobicContact CB-CG1 4.13Å; E487-Y495 CarbonylContact C-O 3.59Å; E487-Y495 VanDerWaalsContact CA-O 3.28Å; E487-Y495 WeakPolarHBondContact CA-O 3.44Å; E487-F496 HydrophobicContact CG-CD1 4.06Å; E487-F496 HydrophobicContact CG-CE1 4.3Å
488	I	90.9	Very high	76.8	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117	165.3	-52	173.8	0	0	0	106.7	W438 L445 I465 F486 Y495 V497 I527	W438-I488 HydrophobicContact CH2-CD1 3.93Å; W438-I488 HydrophobicContact CZ3-CD1 4.05Å; L445-I488 HydrophobicContact CD2-CD1 3.84Å; I465-I488 HydrophobicContact CB-CG2 4.3Å; I465-I488 HydrophobicContact CD1-CG2 3.77Å; I465-I488 HydrophobicContact CG1-CG2 3.73Å; I465-I488 HydrophobicContact CG2-CG2 3.75Å; F486-I488 HydrophobicContact CD2-CG1 4.19Å; F486-I488 HydrophobicContact CE2-CD1 4.03Å; F486-I488 HydrophobicContact CE2-CG1 3.76Å; I488-Y495 PolarHBondContact N-O 3.34Å; I488-Y495 PolarHBondContact O-N 3.07Å; I488-V497 HydrophobicContact CD1-CG2 4.13Å; I488-V497 HydrophobicContact CG1-CG2 4.11Å; I488-I527 HydrophobicContact CD1-CD1 3.92Å
489	I	87.9	Confident	78.3	Confident	41 Å²	41	42.1 Å²	42.1	21%	0.21	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.4	-176.2	-58.1	178.8	0	0	0	108.6	L466 Q467 T469 E487 V494	L466-I489 PolarHBondContact N-O 3.44Å; Q467-I489 HydrophobicContact CB-CB 4.3Å; Q467-I489 HydrophobicContact CB-CD1 4.39Å; Q467-I489 PolarHBondContact N-O 3.28Å; Q467-I489 PolarHBondContact O-N 3.36Å; T469-I489 HydrophobicContact CG2-CD1 4.5Å; E487-I489 HydrophobicContact CB-CG1 4.5Å; I489-V494 HydrophobicContact CG1-CG1 4.26Å; I489-V494 HydrophobicContact CG1-CG2 4.31Å; I489-V494 HydrophobicContact CG2-CG2 4.46Å
490	T	88.3	Confident	79.6	Confident	10 Å²	10	35.2 Å²	35.2	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	178.8	166.5	79.1	0	0	0	0	110.7	I460 E464 T492 M493 Y495	I460-T490 HydrophobicContact CG2-CG2 4.31Å; E464-T490 HydrophobicContact CB-CG2 4.38Å; E464-T490 VanDerWaalsContact O-CA 3.26Å; E464-T490 WeakPolarHBondContact O-CA 3.41Å; E464-T490 VanDerWaalsContact O-CB 3.25Å; E464-T490 WeakPolarHBondContact O-CB 3.21Å; T490-T492 PolarHBondContact O-N 3Å; T490-T492 PolarHBondContact OG1-N 2.83Å; T490-T492 PolarHBondContact OG1-OG1 2.8Å; T490-M493 PolarHBondContact N-O 2.99Å; T490-M493 PolarHBondContact OG1-N 3.32Å; T490-M493 VanDerWaalsContact OG1-N 3.12Å; T490-M493 PolarHBondContact OG1-O 3.25Å; T490-Y495 HydrophobicContact CG2-CE2 4.16Å
491	D	81.7	Confident	80.1	Confident	115 Å²	115	37.6 Å²	37.6	62%	0.615	21%	0.207	S	C	*	.	S	Bend	trans	-55.5	-30.9	171.7	68.7	-31.5	0	0	0	114.5
492	T	85	Confident	80.1	Confident	73 Å²	73	38.6 Å²	38.6	45%	0.448	22%	0.224	S	C	.	.	S	Bend	trans	-123.9	-16.5	-163.8	45.1	0	0	0	0	113.5	R429 T490	R429-T492 PolarHBondContact NE-O 3.49Å; R429-T492 VanDerWaalsContact NE-O 3.08Å; R429-T492 PolarHBondContact NH2-O 2.92Å; T490-T492 PolarHBondContact O-N 3Å; T490-T492 PolarHBondContact OG1-N 2.83Å; T490-T492 PolarHBondContact OG1-OG1 2.8Å
493	M	87.6	Confident	79.4	Confident	38 Å²	38	39.1 Å²	39.1	19%	0.187	23%	0.232	C	C	.	.			trans	-148	144.5	-170.6	-143.1	81.5	171.6	0	0	110.9	T427 R429 T490 Y495	T427-M493 HydrophobicContact CG2-CE 3.96Å; T427-M493 HydrophobicContact CG2-CG 4.31Å; T427-M493 VanDerWaalsContact OG1-CE 3.3Å; T427-M493 WeakPolarHBondContact OG1-CE 3.5Å; R429-M493 HydrophobicContact CB-CE 3.7Å; R429-M493 HydrophobicContact CB-SD 4.27Å; R429-M493 VanDerWaalsContact CD-SD 3.57Å; R429-M493 HydrophobicContact CG-CE 3.85Å; R429-M493 HydrophobicContact CG-SD 3.71Å; T490-M493 PolarHBondContact N-O 2.99Å; T490-M493 PolarHBondContact OG1-N 3.32Å; T490-M493 VanDerWaalsContact OG1-N 3.12Å; T490-M493 PolarHBondContact OG1-O 3.25Å; M493-Y495 HydrophobicContact CB-CD2 4.28Å; M493-Y495 HydrophobicContact CB-CE2 3.75Å; M493-Y495 HydrophobicContact CG-CD2 4.43Å; M493-Y495 HydrophobicContact CG-CE2 3.98Å
494	V	88.8	Confident	78.3	Confident	34 Å²	34	42.1 Å²	42.1	21%	0.206	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.9	158.1	-177.4	0	0	0	0	107.2	T427 S428 E487 I489 F496	T427-V494 CarbonylContact C-O 3.56Å; T427-V494 WeakPolarHBondContact CA-O 3.43Å; S428-V494 PolarHBondContact N-O 3.5Å; S428-V494 PolarHBondContact OG-N 2.98Å; E487-V494 HydrophobicContact CB-CG1 4.13Å; I489-V494 HydrophobicContact CG1-CG1 4.26Å; I489-V494 HydrophobicContact CG1-CG2 4.31Å; I489-V494 HydrophobicContact CG2-CG2 4.46Å; V494-F496 HydrophobicContact CB-CE2 4.32Å; V494-F496 HydrophobicContact CB-CZ 4.2Å; V494-F496 HydrophobicContact CG1-CD1 4.33Å; V494-F496 HydrophobicContact CG1-CE1 3.88Å; V494-F496 HydrophobicContact CG1-CE2 4.16Å; V494-F496 HydrophobicContact CG1-CZ 3.79Å
495	Y	89.8	Confident	76.7	Confident	14 Å²	14	48.9 Å²	48.9	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122	170.8	-63.1	-99.6	0	0	0	108.2	Y426 T427 I460 E487 I488 T490 M493	Y426-Y495 WeakPolarHBondContact O-CA 3.45Å; T427-Y495 HydrophobicContact CG2-CD1 3.54Å; T427-Y495 HydrophobicContact CG2-CE1 3.79Å; T427-Y495 HydrophobicContact CG2-CG 4.21Å; I460-Y495 HydrophobicContact CD1-CD1 4.28Å; I460-Y495 HydrophobicContact CD1-CD2 4.16Å; I460-Y495 HydrophobicContact CD1-CE1 3.85Å; I460-Y495 HydrophobicContact CD1-CE2 3.72Å; I460-Y495 HydrophobicContact CD1-CG 4.44Å; I460-Y495 HydrophobicContact CG1-CE2 4.46Å; E487-Y495 CarbonylContact C-O 3.59Å; E487-Y495 VanDerWaalsContact CA-O 3.28Å; E487-Y495 WeakPolarHBondContact CA-O 3.44Å; I488-Y495 PolarHBondContact N-O 3.34Å; I488-Y495 PolarHBondContact O-N 3.07Å; T490-Y495 HydrophobicContact CG2-CE2 4.16Å; M493-Y495 HydrophobicContact CB-CD2 4.28Å; M493-Y495 HydrophobicContact CB-CE2 3.75Å; M493-Y495 HydrophobicContact CG-CD2 4.43Å; M493-Y495 HydrophobicContact CG-CE2 3.98Å
496	F	88.6	Confident	74.8	Confident	36 Å²	36	55.7 Å²	55.7	16%	0.158	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.7	174.3	-58.2	-80.8	0	0	0	108	H425 Y426 Y484 E487 V494	H425-F496 CarbonylContact C-O 3.5Å; H425-F496 WeakPolarHBondContact CA-O 3.28Å; H425-F496 VanDerWaalsContact CB-O 3.27Å; H425-F496 WeakPolarHBondContact CB-O 3.49Å; Y426-F496 HydrophobicContact CD1-CB 4.03Å; Y426-F496 HydrophobicContact CD2-CB 3.99Å; Y426-F496 AromaticContact CD2-CD2 3.63Å; Y426-F496 HydrophobicContact CD2-CD2 3.63Å; Y426-F496 HydrophobicContact CD2-CG 4.15Å; Y426-F496 HydrophobicContact CE1-CB 3.62Å; Y426-F496 HydrophobicContact CE1-CG 4.45Å; Y426-F496 HydrophobicContact CE2-CB 3.58Å; Y426-F496 AromaticContact CE2-CD2 3.28Å; Y426-F496 HydrophobicContact CE2-CD2 3.28Å; Y426-F496 HydrophobicContact CE2-CE2 4.09Å; Y426-F496 AromaticContact CE2-CG 3.55Å; Y426-F496 HydrophobicContact CE2-CG 3.55Å; Y426-F496 HydrophobicContact CG-CB 4.2Å; Y426-F496 AromaticContact CZ-CD2 3.97Å; Y426-F496 AromaticContact CZ-CG 3.72Å; Y426-F496 PolarHBondContact N-O 2.87Å; Y426-F496 PolarHBondContact O-N 3.2Å; Y484-F496 HydrophobicContact CD1-CB 4.39Å; Y484-F496 HydrophobicContact CD1-CD1 4.06Å; Y484-F496 HydrophobicContact CD2-CB 4.37Å; Y484-F496 AromaticContact CD2-CD1 3.99Å; Y484-F496 HydrophobicContact CD2-CD1 3.99Å; Y484-F496 AromaticContact CE1-CD1 3.87Å; Y484-F496 HydrophobicContact CE1-CD1 3.87Å; Y484-F496 HydrophobicContact CE1-CE1 4.33Å; Y484-F496 AromaticContact CE2-CD1 3.78Å; Y484-F496 HydrophobicContact CE2-CD1 3.78Å; Y484-F496 HydrophobicContact CE2-CE1 4.39Å; Y484-F496 HydrophobicContact CG-CB 4.04Å; Y484-F496 HydrophobicContact CG-CD1 4.11Å; Y484-F496 AromaticContact CZ-CD1 3.69Å; E487-F496 HydrophobicContact CG-CD1 4.06Å; E487-F496 HydrophobicContact CG-CE1 4.3Å; V494-F496 HydrophobicContact CB-CE2 4.32Å; V494-F496 HydrophobicContact CB-CZ 4.2Å; V494-F496 HydrophobicContact CG1-CD1 4.33Å; V494-F496 HydrophobicContact CG1-CE1 3.88Å; V494-F496 HydrophobicContact CG1-CE2 4.16Å; V494-F496 HydrophobicContact CG1-CZ 3.79Å
497	V	87.4	Confident	72.9	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.3	-159.6	-170.7	0	0	0	0	112.3	M423 H425 W438 C485 F486 I488	M423-V497 HydrophobicContact CE-CG1 3.48Å; M423-V497 VanDerWaalsContact CE-CG1 3.48Å; H425-V497 HydrophobicContact CB-CG2 4.42Å; W438-V497 HydrophobicContact CH2-CB 4.31Å; W438-V497 HydrophobicContact CH2-CG1 3.46Å; W438-V497 VanDerWaalsContact CH2-CG1 3.46Å; W438-V497 HydrophobicContact CH2-CG2 3.78Å; W438-V497 HydrophobicContact CZ2-CG1 4.22Å; W438-V497 HydrophobicContact CZ3-CG1 3.85Å; C485-V497 WeakPolarHBondContact CB-O 3.33Å; C485-V497 PolarHBondContact N-O 3.24Å; F486-V497 HydrophobicContact CD1-CB 4.2Å; F486-V497 HydrophobicContact CD1-CG1 4.34Å; F486-V497 HydrophobicContact CD2-CB 4.15Å; F486-V497 HydrophobicContact CD2-CG2 4.44Å; F486-V497 HydrophobicContact CE1-CB 3.94Å; F486-V497 HydrophobicContact CE1-CG1 3.6Å; F486-V497 HydrophobicContact CE2-CB 3.9Å; F486-V497 HydrophobicContact CE2-CG1 3.98Å; F486-V497 HydrophobicContact CE2-CG2 4.11Å; F486-V497 HydrophobicContact CG-CB 4.31Å; F486-V497 HydrophobicContact CZ-CB 3.8Å; F486-V497 HydrophobicContact CZ-CG1 3.4Å; F486-V497 VanDerWaalsContact CZ-CG1 3.4Å; F486-V497 HydrophobicContact CZ-CG2 4.38Å; F486-V497 PolarHBondContact N-O 3.06Å; F486-V497 VanDerWaalsContact N-O 3.14Å; F486-V497 PolarHBondContact O-N 2.84Å; I488-V497 HydrophobicContact CD1-CG2 4.13Å; I488-V497 HydrophobicContact CG1-CG2 4.11Å
498	G	81.1	Confident	70.9	Confident	4 Å²	4	61.5 Å²	61.5	4%	0.041	36%	0.359	C	S	.	.	S	Bend	trans	77.6	176.8	-176.9	0	0	0	0	0	112.9	V424	V424-G498 PolarHBondContact O-N 2.82Å
499	E	74.9	Confident	68.9	Low	21 Å²	21	66.9 Å²	66.9	10%	0.098	39%	0.391	C	S	.	.			trans	-138.4	128.1	177.7	-64.6	-177.7	134.3	0	0	110.3	V424 R433 P483 C485 V515	V424-E499 HydrophobicContact CB-CG 4.25Å; V424-E499 HydrophobicContact CG1-CG 4.03Å; R433-E499 IonicContact CZ-OE1 2.92Å; R433-E499 IonicContact CZ-OE2 3.19Å; R433-E499 IonicContact NE-OE1 3.68Å; R433-E499 PolarHBondContact NE-OE1 3.31Å; R433-E499 IonicContact NE-OE2 2.66Å; R433-E499 VanDerWaalsContact NH2-CD 3.26Å; R433-E499 IonicContact NH2-OE1 3.76Å; R433-E499 PolarHBondContact NH2-OE1 2.88Å; R433-E499 IonicContact NH2-OE2 2.99Å; R433-E499 PolarHBondContact NH2-OE2 2.84Å; P483-E499 CarbonylContact O-C 3.55Å; P483-E499 WeakPolarHBondContact O-CA 3.11Å; C485-E499 VanDerWaalsContact SG-C 3.52Å; E499-V515 HydrophobicContact CB-CG1 4.3Å
500	N	65.3	Low	67.1	Low	58 Å²	58	68.4 Å²	68.4	31%	0.31	40%	0.4	S	S	.	.			trans	-104.9	92.8	177.8	-176.8	7.1	0	0	0	111	P483 G502	P483-N500 HydrophobicContact CB-CB 4.4Å; P483-N500 WeakPolarHBondContact CG-O 3.4Å; P483-N500 PolarHBondContact O-N 3.36Å; N500-G502 VanDerWaalsContact C-N 3.25Å; N500-G502 PolarHBondContact O-N 2.91Å; N500-G502 PolarHBondContact OD1-N 3.37Å; N500-G502 VanDerWaalsContact OD1-N 3.1Å
501	N	61	Low	65.2	Low	118 Å²	118	70.6 Å²	70.6	63%	0.631	42%	0.419	S	S	*	.			trans	-82.2	8.9	177.2	-73.3	-2.7	0	0	0	114	S503	N501-S503 PolarHBondContact O-N 2.88Å
502	G	53.9	Low	63.6	Low	64 Å²	64	68.9 Å²	68.9	66%	0.66	42%	0.421	S	S	*	.			trans	68.5	-2.9	177.2	0	0	0	0	0	116.5	N500 S504	N500-G502 VanDerWaalsContact C-N 3.25Å; N500-G502 PolarHBondContact O-N 2.91Å; N500-G502 PolarHBondContact OD1-N 3.37Å; N500-G502 VanDerWaalsContact OD1-N 3.1Å; G502-S504 PolarHBondContact O-N 3.32Å
503	S	48.7	Very low	62.2	Low	72 Å²	72	67.9 Å²	67.9	50%	0.503	41%	0.414	S	S	.	.			trans	-85.4	100.2	-177.7	58.9	0	0	0	0	112.1	N501 H505	N501-S503 PolarHBondContact O-N 2.88Å; S503-H505 PolarHBondContact O-N 3.4Å
504	S	45.8	Very low	60.8	Low	121 Å²	121	66.2 Å²	66.2	85%	0.846	41%	0.407	S	S	*	.			trans	-73.2	36.9	-179.2	-170.8	0	0	0	0	114.9	G502	G502-S504 PolarHBondContact O-N 3.32Å
505	H	44.1	Very low	59.6	Low	163 Å²	163	65.5 Å²	65.5	76%	0.755	40%	0.402	S	S	*	.			trans	-118.1	116.9	-178.4	-72.6	-57.9	0	0	0	112.1	S503 S507	S503-H505 PolarHBondContact O-N 3.4Å; H505-S507 PolarHBondContact O-N 2.94Å
506	H	42.3	Very low	58.5	Low	154 Å²	154	65.9 Å²	65.9	71%	0.713	41%	0.411	S	S	*	.			trans	-72.8	82.2	-174.3	-164.6	-79.1	0	0	0	111.8	P508 D518	H506-P508 WeakPolarHBondContact O-CD 3.49Å; H506-D518 IonicContact CD2-OD2 3.7Å
507	S	48.2	Very low	57.7	Low	51 Å²	51	67.6 Å²	67.6	36%	0.357	42%	0.421	S	S	.	.			trans	-93.7	115.9	-177.1	-179.8	0	0	0	0	112.4	H505 V509 L510 A511	H505-S507 PolarHBondContact O-N 2.94Å; S507-V509 PolarHBondContact O-N 3.49Å; S507-V509 VanDerWaalsContact O-N 3.12Å; S507-L510 PolarHBondContact O-N 2.82Å; S507-L510 VanDerWaalsContact O-N 3.11Å; S507-A511 PolarHBondContact O-N 2.84Å
508	P	48.1	Very low	57	Low	105 Å²	105	71.9 Å²	71.9	68%	0.682	44%	0.444	S	S	*	.	H	α-helix	trans	-59	-26.4	178.7	-25.4	35.2	0	0	0	114.2	H506	H506-P508 WeakPolarHBondContact O-CD 3.49Å
509	V	48.9	Very low	57	Low	113 Å²	113	73.1 Å²	73.1	69%	0.685	45%	0.451	S	S	*	.	H	α-helix	trans	-70.7	-36.2	179.4	-176.7	0	0	0	0	111.4	S507	S507-V509 PolarHBondContact O-N 3.49Å; S507-V509 VanDerWaalsContact O-N 3.12Å
510	L	50.7	Low	57.3	Low	73 Å²	73	72.1 Å²	72.1	38%	0.382	45%	0.446	S	S	.	.	H	α-helix	trans	-70.3	-35.8	177.6	-68.6	177.5	0	0	0	111.7	S507 A512 T513	S507-L510 PolarHBondContact O-N 2.82Å; S507-L510 VanDerWaalsContact O-N 3.11Å; L510-A512 VanDerWaalsContact C-N 3.27Å; L510-A512 PolarHBondContact O-N 3Å; L510-T513 WeakPolarHBondContact O-CB 3.38Å; L510-T513 PolarHBondContact O-N 3.27Å; L510-T513 PolarHBondContact O-OG1 3.34Å
511	A	47.6	Very low	58.1	Low	56 Å²	56	73.7 Å²	73.7	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-55.4	-40.4	179	0	0	0	0	0	113	S507 T513 G514 V519	S507-A511 PolarHBondContact O-N 2.84Å; A511-T513 PolarHBondContact O-N 2.96Å; A511-G514 PolarHBondContact O-N 2.73Å; A511-V519 HydrophobicContact CB-CG2 4.21Å
512	A	48.9	Very low	59.2	Low	79 Å²	79	69.5 Å²	69.5	65%	0.653	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.5	176.3	0	0	0	0	0	114	L510	L510-A512 VanDerWaalsContact C-N 3.27Å; L510-A512 PolarHBondContact O-N 3Å
513	T	55.9	Low	60.9	Low	51 Å²	51	66.7 Å²	66.7	31%	0.313	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-17.4	-178.2	69.3	0	0	0	0	114.1	R435 L510 A511 V515	R435-T513 VanDerWaalsContact CZ-O 3.3Å; R435-T513 PolarHBondContact NE-O 2.91Å; R435-T513 PolarHBondContact NH2-O 3.04Å; L510-T513 WeakPolarHBondContact O-CB 3.38Å; L510-T513 PolarHBondContact O-N 3.27Å; L510-T513 PolarHBondContact O-OG1 3.34Å; A511-T513 PolarHBondContact O-N 2.96Å; T513-V515 WeakPolarHBondContact OG1-CB 3.48Å
514	G	58.1	Low	62.7	Low	3 Å²	3	63.8 Å²	63.8	3%	0.031	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	27.8	-173	0	0	0	0	0	114	W422 A511	W422-G514 WeakPolarHBondContact O-CA 3.23Å; A511-G514 PolarHBondContact O-N 2.73Å
515	V	63.3	Low	64.5	Low	19 Å²	19	64.1 Å²	64.1	12%	0.115	37%	0.37	C	S	.	.			trans	-132.3	138.3	-174.4	178.8	0	0	0	0	109.1	V424 E499 T513	V424-V515 HydrophobicContact CG2-CG2 4.06Å; E499-V515 HydrophobicContact CB-CG1 4.3Å; T513-V515 WeakPolarHBondContact OG1-CB 3.48Å
516	G	66.3	Low	66.5	Low	22 Å²	22	56.8 Å²	56.8	23%	0.227	34%	0.338	C	S	.	.	S	Bend	trans	120	155	-179.2	0	0	0	0	0	113.8	V519 A520	G516-V519 PolarHBondContact O-N 3.21Å; G516-A520 PolarHBondContact O-N 3.18Å
517	L	71.3	Confident	68.7	Low	73 Å²	73	49.4 Å²	49.4	38%	0.382	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-44.4	-173.8	-173	63.7	0	0	0	112.3	C485 V519 A520 Q521	C485-L517 HydrophobicContact CB-CD1 4.4Å; L517-V519 VanDerWaalsContact C-N 3.31Å; L517-V519 PolarHBondContact O-N 3.32Å; L517-A520 PolarHBondContact O-N 3.1Å; L517-A520 VanDerWaalsContact O-N 3.14Å; L517-Q521 HydrophobicContact CD1-CG 4.42Å; L517-Q521 HydrophobicContact CG-CG 4.4Å; L517-Q521 WeakPolarHBondContact O-CG 3.39Å; L517-Q521 PolarHBondContact O-N 3.45Å
518	D	73.1	Confident	70.4	Confident	90 Å²	90	52 Å²	52	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-38.3	-178.1	-44.1	-60.2	0	0	0	112	H506 G522	H506-D518 IonicContact CD2-OD2 3.7Å; D518-G522 PolarHBondContact O-N 3.11Å
519	V	80.1	Confident	71.9	Confident	29 Å²	29	51 Å²	51	18%	0.176	29%	0.293	C	S	.	.	H	α-helix	trans	-64.8	-46.4	175.1	-178.8	0	0	0	0	110	M423 A511 G516 L517 G522 W523	M423-V519 HydrophobicContact SD-CG1 3.94Å; A511-V519 HydrophobicContact CB-CG2 4.21Å; G516-V519 PolarHBondContact O-N 3.21Å; L517-V519 VanDerWaalsContact C-N 3.31Å; L517-V519 PolarHBondContact O-N 3.32Å; V519-G522 PolarHBondContact O-N 3.41Å; V519-W523 VanDerWaalsContact O-CD1 3.29Å; V519-W523 PolarHBondContact O-N 3.33Å
520	A	82.1	Confident	73.4	Confident	1 Å²	1	46 Å²	46	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-45.9	180	0	0	0	0	0	112	C485 F486 G516 L517 G522 W523 E524	C485-A520 HydrophobicContact CB-CB 3.33Å; F486-A520 HydrophobicContact CD1-CB 4.11Å; F486-A520 HydrophobicContact CE1-CB 4.09Å; F486-A520 VanDerWaalsContact CE1-O 3.23Å; F486-A520 WeakPolarHBondContact CE1-O 3.48Å; G516-A520 PolarHBondContact O-N 3.18Å; L517-A520 PolarHBondContact O-N 3.1Å; L517-A520 VanDerWaalsContact O-N 3.14Å; A520-G522 VanDerWaalsContact C-N 3.32Å; A520-G522 PolarHBondContact O-N 2.75Å; A520-W523 PolarHBondContact O-N 2.71Å; A520-W523 VanDerWaalsContact O-N 3.11Å; A520-E524 WeakPolarHBondContact O-CB 3.38Å; A520-E524 PolarHBondContact O-N 3.35Å
521	Q	82.3	Confident	74.8	Confident	91 Å²	91	43 Å²	43	43%	0.425	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-39.6	173.6	-71.1	-179.9	-2	0	0	111.9	L517 W523 E524 K525	L517-Q521 HydrophobicContact CD1-CG 4.42Å; L517-Q521 HydrophobicContact CG-CG 4.4Å; L517-Q521 WeakPolarHBondContact O-CG 3.39Å; L517-Q521 PolarHBondContact O-N 3.45Å; Q521-W523 VanDerWaalsContact C-N 3.26Å; Q521-W523 PolarHBondContact O-N 3.5Å; Q521-E524 PolarHBondContact O-N 3.22Å; Q521-K525 VanDerWaalsContact O-CB 3.29Å; Q521-K525 WeakPolarHBondContact O-CB 3.39Å; Q521-K525 PolarHBondContact O-N 2.69Å
522	G	84.4	Confident	75.9	Confident	30 Å²	30	42.1 Å²	42.1	31%	0.309	23%	0.234	S	C	.	.	H	α-helix	trans	-65.7	-24.5	174.6	0	0	0	0	0	114.1	K419 D518 V519 A520 A526	K419-G522 WeakPolarHBondContact CE-O 3.43Å; D518-G522 PolarHBondContact O-N 3.11Å; V519-G522 PolarHBondContact O-N 3.41Å; A520-G522 VanDerWaalsContact C-N 3.32Å; A520-G522 PolarHBondContact O-N 2.75Å; G522-A526 WeakPolarHBondContact O-CB 3.17Å
523	W	88.3	Confident	76.4	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-84.5	-44.3	169.9	-87.3	103.6	0	0	0	112.5	K419 M423 W438 L440 L445 F486 V519 A520 Q521 K525 A526 I527	K419-W523 HydrophobicContact CB-CH2 4.17Å; K419-W523 HydrophobicContact CB-CZ3 4.08Å; K419-W523 HydrophobicContact CD-CD2 3.71Å; K419-W523 HydrophobicContact CD-CE3 3.77Å; K419-W523 HydrophobicContact CD-CG 4.24Å; K419-W523 HydrophobicContact CD-CH2 4.27Å; K419-W523 HydrophobicContact CD-CZ2 4.23Å; K419-W523 HydrophobicContact CD-CZ3 4.05Å; K419-W523 VanDerWaalsContact CE-CD2 3.5Å; K419-W523 HydrophobicContact CG-CD2 4.36Å; K419-W523 HydrophobicContact CG-CE3 4.26Å; K419-W523 HydrophobicContact CG-CH2 3.87Å; K419-W523 HydrophobicContact CG-CZ2 3.98Å; K419-W523 HydrophobicContact CG-CZ3 4.02Å; M423-W523 HydrophobicContact CE-CB 4.39Å; M423-W523 HydrophobicContact CE-CG 4.35Å; M423-W523 HydrophobicContact CG-CD2 4.14Å; M423-W523 HydrophobicContact CG-CG 4.07Å; M423-W523 HydrophobicContact CG-CZ2 4.41Å; M423-W523 HydrophobicContact SD-CG 3.95Å; W438-W523 HydrophobicContact CB-CH2 3.55Å; W438-W523 HydrophobicContact CB-CZ2 3.9Å; W438-W523 HydrophobicContact CB-CZ3 4.06Å; W438-W523 HydrophobicContact CE3-CD2 4.48Å; W438-W523 HydrophobicContact CE3-CE3 4.17Å; W438-W523 HydrophobicContact CE3-CZ3 4.35Å; L440-W523 HydrophobicContact CB-CZ3 3.94Å; L445-W523 HydrophobicContact CD1-CZ3 4.15Å; F486-W523 HydrophobicContact CE1-CB 4.33Å; F486-W523 HydrophobicContact CZ-CB 4.2Å; V519-W523 VanDerWaalsContact O-CD1 3.29Å; V519-W523 PolarHBondContact O-N 3.33Å; A520-W523 PolarHBondContact O-N 2.71Å; A520-W523 VanDerWaalsContact O-N 3.11Å; Q521-W523 VanDerWaalsContact C-N 3.26Å; Q521-W523 PolarHBondContact O-N 3.5Å; W523-K525 VanDerWaalsContact C-N 3.33Å; W523-K525 PolarHBondContact O-N 3Å; W523-A526 PolarHBondContact O-N 3.34Å; W523-I527 VanDerWaalsContact O-CG1 3.29Å; W523-I527 WeakPolarHBondContact O-CG1 3.23Å; W523-I527 PolarHBondContact O-N 3.4Å
524	E	87.3	Confident	76.4	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-54.4	-50.1	175.4	-167.5	-152.6	154.3	0	0	110.5	V468 Q470 F486 A520 Q521 A526 I527 R528	V468-E524 HydrophobicContact CG1-CG 3.7Å; Q470-E524 PolarHBondContact NE2-OE1 2.77Å; Q470-E524 PolarHBondContact NE2-OE2 2.81Å; F486-E524 HydrophobicContact CB-CG 4.23Å; F486-E524 HydrophobicContact CD1-CB 4.01Å; F486-E524 HydrophobicContact CD1-CG 4.46Å; F486-E524 HydrophobicContact CD2-CB 4.35Å; F486-E524 HydrophobicContact CD2-CG 4.18Å; F486-E524 HydrophobicContact CE1-CB 4.15Å; F486-E524 HydrophobicContact CE2-CB 4.46Å; F486-E524 HydrophobicContact CG-CB 4.12Å; F486-E524 HydrophobicContact CG-CG 4.07Å; F486-E524 HydrophobicContact CZ-CB 4.36Å; A520-E524 WeakPolarHBondContact O-CB 3.38Å; A520-E524 PolarHBondContact O-N 3.35Å; Q521-E524 PolarHBondContact O-N 3.22Å; E524-A526 PolarHBondContact O-N 3.29Å; E524-I527 PolarHBondContact O-N 3.02Å; E524-R528 WeakPolarHBondContact O-CG 3.38Å; E524-R528 PolarHBondContact O-N 2.66Å; E524-R528 IonicContact OE1-CZ 3.68Å; E524-R528 IonicContact OE1-NE 3.82Å; E524-R528 PolarHBondContact OE1-NE 3.01Å; E524-R528 IonicContact OE1-NH2 2.72Å; E524-R528 PolarHBondContact OE1-NH2 3.26Å
525	K	84.3	Confident	76	Confident	127 Å²	127	42.4 Å²	42.4	55%	0.552	23%	0.227	S	C	*	.	H	α-helix	trans	-61.9	-41.9	177.3	-175	171.7	-179.2	174.3	0	112.4	Q521 W523 R528 Q529	Q521-K525 VanDerWaalsContact O-CB 3.29Å; Q521-K525 WeakPolarHBondContact O-CB 3.39Å; Q521-K525 PolarHBondContact O-N 2.69Å; W523-K525 VanDerWaalsContact C-N 3.33Å; W523-K525 PolarHBondContact O-N 3Å; K525-R528 PolarHBondContact O-N 2.87Å; K525-Q529 WeakPolarHBondContact O-CB 3.41Å; K525-Q529 VanDerWaalsContact O-CG 3.27Å; K525-Q529 WeakPolarHBondContact O-CG 3.09Å; K525-Q529 PolarHBondContact O-N 2.87Å
526	A	85.9	Confident	74.9	Confident	9 Å²	9	46.1 Å²	46.1	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-39.9	177.8	0	0	0	0	0	112.1	K419 L440 G522 W523 E524 Q529 A530	K419-A526 HydrophobicContact CB-CB 4.42Å; K419-A526 HydrophobicContact CD-CB 3.59Å; L440-A526 HydrophobicContact CD2-CB 4.09Å; G522-A526 WeakPolarHBondContact O-CB 3.17Å; W523-A526 PolarHBondContact O-N 3.34Å; E524-A526 PolarHBondContact O-N 3.29Å; A526-Q529 PolarHBondContact O-N 2.81Å; A526-A530 WeakPolarHBondContact O-CB 3.01Å; A526-A530 PolarHBondContact O-N 3.3Å
527	I	86.9	Confident	73.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-46.8	175.5	-65.8	165	0	0	0	109.9	W438 L440 L445 I465 V468 F486 I488 W523 E524 Q529 A530 L531	W438-I527 HydrophobicContact CZ3-CD1 4.17Å; L440-I527 HydrophobicContact CD1-CG1 4.49Å; L440-I527 HydrophobicContact CD2-CG1 4Å; L445-I527 HydrophobicContact CD2-CD1 4.12Å; I465-I527 HydrophobicContact CD1-CG2 4.28Å; V468-I527 HydrophobicContact CG2-CG2 3.97Å; F486-I527 HydrophobicContact CE2-CD1 4.16Å; F486-I527 HydrophobicContact CZ-CD1 4.2Å; I488-I527 HydrophobicContact CD1-CD1 3.92Å; W523-I527 VanDerWaalsContact O-CG1 3.29Å; W523-I527 WeakPolarHBondContact O-CG1 3.23Å; W523-I527 PolarHBondContact O-N 3.4Å; E524-I527 PolarHBondContact O-N 3.02Å; I527-Q529 VanDerWaalsContact C-N 3.29Å; I527-Q529 PolarHBondContact O-N 3.06Å; I527-A530 PolarHBondContact O-N 3.02Å; I527-A530 VanDerWaalsContact O-N 3.12Å; I527-L531 HydrophobicContact CG2-CD1 4.03Å; I527-L531 HydrophobicContact CG2-CG 4.46Å; I527-L531 VanDerWaalsContact O-CG 3.27Å; I527-L531 WeakPolarHBondContact O-CG 3.5Å; I527-L531 PolarHBondContact O-N 3.19Å
528	R	83.9	Confident	71.3	Confident	104 Å²	104	53.5 Å²	53.5	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-56.2	-42.2	173.6	-71.6	-176.1	-170.3	-69.4	-2.4	112.2	V468 E524 K525 L531 M532	V468-R528 VanDerWaalsContact O-CZ 3.28Å; V468-R528 PolarHBondContact O-NH1 3.03Å; V468-R528 PolarHBondContact O-NH2 3.47Å; E524-R528 WeakPolarHBondContact O-CG 3.38Å; E524-R528 PolarHBondContact O-N 2.66Å; E524-R528 IonicContact OE1-CZ 3.68Å; E524-R528 IonicContact OE1-NE 3.82Å; E524-R528 PolarHBondContact OE1-NE 3.01Å; E524-R528 IonicContact OE1-NH2 2.72Å; E524-R528 PolarHBondContact OE1-NH2 3.26Å; K525-R528 PolarHBondContact O-N 2.87Å; R528-L531 PolarHBondContact O-N 3.31Å; R528-M532 PolarHBondContact O-N 3.04Å
529	Q	80.3	Confident	69.1	Low	86 Å²	86	54.2 Å²	54.2	40%	0.402	31%	0.306	S	S	.	.	H	α-helix	trans	-66.1	-38.8	175.5	-74.5	175.8	-37	0	0	112.7	K525 A526 I527 L531 M532	K525-Q529 WeakPolarHBondContact O-CB 3.41Å; K525-Q529 VanDerWaalsContact O-CG 3.27Å; K525-Q529 WeakPolarHBondContact O-CG 3.09Å; K525-Q529 PolarHBondContact O-N 2.87Å; A526-Q529 PolarHBondContact O-N 2.81Å; I527-Q529 VanDerWaalsContact C-N 3.29Å; I527-Q529 PolarHBondContact O-N 3.06Å; Q529-L531 VanDerWaalsContact C-N 3.28Å; Q529-L531 PolarHBondContact O-N 3.39Å; Q529-M532 CarbonylContact O-C 3.58Å; Q529-M532 PolarHBondContact O-N 3.42Å; Q529-M532 VanDerWaalsContact O-N 3.16Å
530	A	81	Confident	66.4	Low	6 Å²	6	58.1 Å²	58.1	5%	0.05	33%	0.33	C	S	.	.	H	α-helix	trans	-70.6	-21.6	174.6	0	0	0	0	0	113.5	L440 L462 A526 I527 P533	L440-A530 HydrophobicContact CD1-CB 3.91Å; L440-A530 HydrophobicContact CD2-CB 3.9Å; L440-A530 HydrophobicContact CG-CB 4.08Å; L462-A530 HydrophobicContact CD1-CB 3.9Å; A526-A530 WeakPolarHBondContact O-CB 3.01Å; A526-A530 PolarHBondContact O-N 3.3Å; I527-A530 PolarHBondContact O-N 3.02Å; I527-A530 VanDerWaalsContact O-N 3.12Å; A530-P533 WeakPolarHBondContact O-CD 3.17Å
531	L	79.8	Confident	63.7	Low	10 Å²	10	63.2 Å²	63.2	5%	0.052	36%	0.364	C	S	.	.	H	α-helix	trans	-78.6	-19.3	170.7	-65.1	166.5	0	0	0	112.7	L462 I465 V468 I527 R528 Q529 P533	L462-L531 HydrophobicContact CB-CD2 4.22Å; L462-L531 HydrophobicContact CD2-CD2 4.39Å; L462-L531 WeakPolarHBondContact O-CD2 3.37Å; I465-L531 HydrophobicContact CB-CD2 4.23Å; I465-L531 HydrophobicContact CG2-CD1 4.11Å; I465-L531 HydrophobicContact CG2-CD2 4.39Å; V468-L531 HydrophobicContact CG2-CD1 3.95Å; I527-L531 HydrophobicContact CG2-CD1 4.03Å; I527-L531 HydrophobicContact CG2-CG 4.46Å; I527-L531 VanDerWaalsContact O-CG 3.27Å; I527-L531 WeakPolarHBondContact O-CG 3.5Å; I527-L531 PolarHBondContact O-N 3.19Å; R528-L531 PolarHBondContact O-N 3.31Å; Q529-L531 VanDerWaalsContact C-N 3.28Å; Q529-L531 PolarHBondContact O-N 3.39Å; L531-P533 VanDerWaalsContact C-CD 3.5Å
532	M	71.2	Confident	61	Low	39 Å²	39	65.3 Å²	65.3	19%	0.192	38%	0.383	C	S	.	.	S	Bend	trans	-125.3	60.1	172	-62.8	-163	98.2	0	0	112.5	R528 Q529 V534 T535 D569 I570	R528-M532 PolarHBondContact O-N 3.04Å; Q529-M532 CarbonylContact O-C 3.58Å; Q529-M532 PolarHBondContact O-N 3.42Å; Q529-M532 VanDerWaalsContact O-N 3.16Å; M532-V534 PolarHBondContact O-N 2.8Å; M532-T535 HydrophobicContact CB-CG2 4.35Å; M532-T535 PolarHBondContact O-N 2.89Å; M532-T535 PolarHBondContact O-OG1 3.07Å; M532-D569 WeakPolarHBondContact CE-OD1 3.25Å; M532-I570 HydrophobicContact CE-CG2 3.62Å
533	P	58.3	Low	58.2	Low	43 Å²	43	68.1 Å²	68.1	28%	0.279	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.9	-166.4	28.1	-36.2	0	0	0	115.1	A530 L531 I576 A578	A530-P533 WeakPolarHBondContact O-CD 3.17Å; L531-P533 VanDerWaalsContact C-CD 3.5Å; P533-I576 VanDerWaalsContact CG-O 3.3Å; P533-I576 WeakPolarHBondContact CG-O 3.06Å; P533-A578 HydrophobicContact CB-CB 3.82Å; P533-A578 HydrophobicContact CG-CB 3.81Å
534	V	55.5	Low	55.4	Low	25 Å²	25	73.4 Å²	73.4	15%	0.152	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.1	-178.9	-155.1	0	0	0	0	112.5	M532 P536 I576 Y591 V606 R647	M532-V534 PolarHBondContact O-N 2.8Å; V534-P536 WeakPolarHBondContact O-CD 3.4Å; V534-I576 HydrophobicContact CG2-CB 4.27Å; V534-I576 HydrophobicContact CG2-CD1 4.12Å; V534-I576 HydrophobicContact CG2-CG2 3.83Å; V534-Y591 HydrophobicContact CG1-CE2 4.05Å; V534-Y591 HydrophobicContact CG2-CE2 4.41Å; V534-V606 HydrophobicContact CG1-CG1 4.3Å; V534-R647 VanDerWaalsContact C-NH1 3.34Å; V534-R647 PolarHBondContact O-NH1 2.89Å
535	T	51.4	Low	52.6	Low	70 Å²	70	75.9 Å²	75.9	43%	0.429	48%	0.477	S	S	.	.	S	Bend	trans	-70.1	126	-179.6	51.5	0	0	0	0	110.9	M532	M532-T535 HydrophobicContact CB-CG2 4.35Å; M532-T535 PolarHBondContact O-N 2.89Å; M532-T535 PolarHBondContact O-OG1 3.07Å
536	P	38.5	Very low	49.9	Very low	97 Å²	97	79.3 Å²	79.3	63%	0.63	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-60.5	159.3	170.4	-19.2	32.4	0	0	0	110.9	V534 A538	V534-P536 WeakPolarHBondContact O-CD 3.4Å; P536-A538 PolarHBondContact O-N 3.38Å; P536-A538 VanDerWaalsContact O-N 3.1Å
537	Q	34.2	Very low	47.4	Very low	159 Å²	159	82.8 Å²	82.8	74%	0.743	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-61.3	117.5	170	-70.3	-174.2	-10.4	0	0	109.8	S539	Q537-S539 PolarHBondContact O-N 2.93Å
538	A	27.7	Very low	44.5	Very low	92 Å²	92	92.2 Å²	92.2	76%	0.76	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-55.7	128.6	154.6	0	0	0	0	0	107.7	P536 V540	P536-A538 PolarHBondContact O-N 3.38Å; P536-A538 VanDerWaalsContact O-N 3.1Å; A538-V540 PolarHBondContact O-N 3.44Å
539	S	26.7	Very low	41.9	Very low	104 Å²	104	94.7 Å²	94.7	73%	0.727	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-54.9	131.7	-173.8	22.6	0	0	0	0	111.2	Q537 C541	Q537-S539 PolarHBondContact O-N 2.93Å; S539-C541 PolarHBondContact O-N 3.09Å
540	V	25.2	Very low	39.5	Very low	111 Å²	111	99.8 Å²	99.8	67%	0.673	62%	0.618	S	S	*	*			trans	-77.4	77	-177.9	-176.1	0	0	0	0	109.9	A538 T542	A538-V540 PolarHBondContact O-N 3.44Å; V540-T542 HydrophobicContact CG1-CG2 4.03Å; V540-T542 PolarHBondContact O-N 2.54Å
541	C	24.4	Very low	37.1	Very low	108 Å²	108	108.8 Å²	108.8	73%	0.73	66%	0.656	S	S	*	*			trans	-87.6	88.8	167	-66.8	0	0	0	0	109.2	S539 A543	S539-C541 PolarHBondContact O-N 3.09Å; C541-A543 VanDerWaalsContact C-N 3.33Å; C541-A543 PolarHBondContact O-N 3.41Å
542	T	26	Very low	35	Very low	135 Å²	135	115.1 Å²	115.1	83%	0.828	69%	0.685	S	S	*	*			trans	-74.8	84.3	171.1	45.6	0	0	0	0	110.7	V540	V540-T542 HydrophobicContact CG1-CG2 4.03Å; V540-T542 PolarHBondContact O-N 2.54Å
543	A	26	Very low	33.5	Very low	89 Å²	89	118.5 Å²	118.5	74%	0.736	70%	0.703	S	S	*	*			trans	-108.8	100.4	167.2	0	0	0	0	0	109.3	C541 G545	C541-A543 VanDerWaalsContact C-N 3.33Å; C541-A543 PolarHBondContact O-N 3.41Å; A543-G545 PolarHBondContact O-N 3.24Å
544	A	29.2	Very low	32.3	Very low	116 Å²	116	120.5 Å²	120.5	96%	0.959	72%	0.718	S	S	*	*			trans	-82.6	94.5	174.6	0	0	0	0	0	109.7
545	G	27.7	Very low	31.9	Very low	64 Å²	64	120.4 Å²	120.4	66%	0.66	72%	0.717	S	S	*	*			trans	-177.8	118.8	178.5	0	0	0	0	0	115.2	A543	A543-G545 PolarHBondContact O-N 3.24Å
546	Q	27.3	Very low	31.4	Very low	198 Å²	198	119.9 Å²	119.9	93%	0.925	72%	0.716	S	S	*	*			trans	66.6	120.5	167.5	-55.9	-175.8	-1.6	0	0	116.7
547	G	33.8	Very low	31.9	Very low	83 Å²	83	116.7 Å²	116.7	86%	0.856	69%	0.693	S	S	*	*			trans	-71.2	130.3	176.3	0	0	0	0	0	112.6
548	K	27.4	Very low	32.4	Very low	198 Å²	198	111 Å²	111	86%	0.861	67%	0.671	S	S	*	*			trans	-128.2	145.2	148.2	-82.4	-178	175.4	173.4	0	107.2	H550	K548-H550 PolarHBondContact O-N 2.7Å
549	D	27.7	Very low	33.2	Very low	156 Å²	156	109 Å²	109	83%	0.834	65%	0.649	S	S	*	*			trans	-57.4	137.6	-169.1	-50.9	-85.6	0	0	0	111.7	K551	D549-K551 VanDerWaalsContact C-N 3.29Å; D549-K551 PolarHBondContact O-N 2.79Å
550	H	31.1	Very low	33.9	Very low	193 Å²	193	105.4 Å²	105.4	89%	0.894	62%	0.624	S	S	*	*			trans	-61.7	96.8	165.8	-97.6	-88.1	0	0	0	107.7	K548 E552	K548-H550 PolarHBondContact O-N 2.7Å; H550-E552 PolarHBondContact O-N 3.07Å
551	K	30.8	Very low	34.6	Very low	195 Å²	195	107.2 Å²	107.2	85%	0.848	63%	0.63	S	S	*	*			trans	-59.1	115	169.7	-116.1	-171.3	176	-169.4	0	107.6	D549 L553	D549-K551 VanDerWaalsContact C-N 3.29Å; D549-K551 PolarHBondContact O-N 2.79Å; K551-L553 PolarHBondContact O-N 2.82Å
552	E	35.7	Very low	35.1	Very low	142 Å²	142	106.3 Å²	106.3	66%	0.664	63%	0.625	S	S	*	*			trans	-47.4	127.6	177.6	-156.6	172.5	-179.6	0	0	109.5	H550 S554 N567	H550-E552 PolarHBondContact O-N 3.07Å; E552-S554 VanDerWaalsContact C-N 3.3Å; E552-S554 PolarHBondContact O-N 3.14Å; E552-N567 PolarHBondContact OE1-ND2 2.94Å
553	L	39.1	Very low	35.6	Very low	110 Å²	110	108.9 Å²	108.9	58%	0.576	63%	0.628	S	S	*	*			trans	-71.2	94.2	174.1	-84.5	82.6	0	0	0	107.3	K551 L555	K551-L553 PolarHBondContact O-N 2.82Å; L553-L555 PolarHBondContact O-N 3.13Å
554	S	33	Very low	36.4	Very low	86 Å²	86	108.6 Å²	108.6	60%	0.601	62%	0.616	S	S	*	*			trans	-62.4	95.7	178.7	58.1	0	0	0	0	110.2	E552 S556	E552-S554 VanDerWaalsContact C-N 3.3Å; E552-S554 PolarHBondContact O-N 3.14Å; S554-S556 PolarHBondContact O-N 2.93Å
555	L	46.9	Very low	36.9	Very low	22 Å²	22	110.2 Å²	110.2	12%	0.115	60%	0.604	C	S	.	*			trans	-79	104.9	174.7	-74.7	143.3	0	0	0	108.3	L553 I557 D569 E643 T644	L553-L555 PolarHBondContact O-N 3.13Å; L555-I557 PolarHBondContact O-N 3.3Å; L555-D569 HydrophobicContact CD1-CB 4.11Å; L555-E643 WeakPolarHBondContact CA-O 3.38Å; L555-T644 HydrophobicContact CD2-CG2 3.89Å
556	S	41.2	Very low	37.8	Very low	60 Å²	60	114.7 Å²	114.7	42%	0.42	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72	110.6	171.7	37.5	0	0	0	0	109.4	S554 E643	S554-S556 PolarHBondContact O-N 2.93Å; S556-E643 WeakPolarHBondContact O-CB 3.27Å; S556-E643 PolarHBondContact O-N 3.49Å; S556-E643 PolarHBondContact OG-OE2 3.17Å
557	I	49	Very low	39.1	Very low	29 Å²	29	108.3 Å²	108.3	15%	0.149	58%	0.58	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.9	127.7	179.3	-61.5	165.9	0	0	0	108.5	L555 V559 Q565 V568 F642	L555-I557 PolarHBondContact O-N 3.3Å; I557-V559 HydrophobicContact CG2-CG2 3.43Å; I557-V559 VanDerWaalsContact CG2-CG2 3.43Å; I557-Q565 WeakPolarHBondContact CD1-O 3.44Å; I557-V568 HydrophobicContact CD1-CB 3.76Å; I557-V568 HydrophobicContact CD1-CG2 4.46Å; I557-F642 HydrophobicContact CG1-CD1 4.26Å
558	S	45.4	Very low	40.6	Very low	41 Å²	41	106.1 Å²	106.1	29%	0.287	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.3	104.2	163.2	62	0	0	0	0	109.6	Q628	S558-Q628 PolarHBondContact OG-NE2 3.22Å; S558-Q628 VanDerWaalsContact OG-NE2 3.11Å
559	V	43.8	Very low	42.9	Very low	49 Å²	49	99.2 Å²	99.2	30%	0.297	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.3	176.6	-163.1	0	0	0	0	109.4	I557 N561 C640	I557-V559 HydrophobicContact CG2-CG2 3.43Å; I557-V559 VanDerWaalsContact CG2-CG2 3.43Å; V559-N561 PolarHBondContact O-N 3.07Å; V559-C640 HydrophobicContact CG1-CB 4.38Å
560	S	41.4	Very low	45.6	Very low	28 Å²	28	91.9 Å²	91.9	20%	0.196	48%	0.483	C	S	.	.	S	Bend	trans	-71.1	118	164.6	-48.5	0	0	0	0	109.4	S562	S560-S562 PolarHBondContact O-N 2.83Å
561	N	39.7	Very low	48	Very low	149 Å²	149	83.9 Å²	83.9	80%	0.797	45%	0.449	S	S	*	.	S	Bend	trans	57.4	30.7	163.2	-59.7	-16.6	0	0	0	118.4	V559	V559-N561 PolarHBondContact O-N 3.07Å
562	S	35.7	Very low	50.5	Low	89 Å²	89	76.7 Å²	76.7	62%	0.622	42%	0.424	S	S	*	.	S	Bend	trans	-144.9	159.3	159.5	-144	0	0	0	0	112.8	S560 V564	S560-S562 PolarHBondContact O-N 2.83Å; S562-V564 PolarHBondContact O-N 3.23Å
563	Q	36.3	Very low	52.8	Low	190 Å²	190	71 Å²	71	89%	0.888	40%	0.398	S	S	*	.			trans	-60.1	120.8	-166.7	-66.3	-177.9	-2.4	0	0	111.6	Q565	Q563-Q565 PolarHBondContact O-N 2.84Å
564	V	41.8	Very low	55.2	Low	82 Å²	82	66.2 Å²	66.2	50%	0.497	37%	0.373	S	S	.	.			trans	-69	116.9	-177.4	179.4	0	0	0	0	109.7	S562 E566	S562-V564 PolarHBondContact O-N 3.23Å; V564-E566 HydrophobicContact CG1-CG 4.31Å
565	Q	41	Very low	57.8	Low	151 Å²	151	62.1 Å²	62.1	71%	0.706	34%	0.344	S	S	*	.			trans	-102.1	108.9	165.2	-167.6	162.2	35.6	0	0	107.3	I557 Q563 V568	I557-Q565 WeakPolarHBondContact CD1-O 3.44Å; Q563-Q565 PolarHBondContact O-N 2.84Å; Q565-V568 HydrophobicContact CB-CG2 4.15Å; Q565-V568 HydrophobicContact CG-CG2 4.14Å; Q565-V568 WeakPolarHBondContact O-CG2 3.38Å
566	E	45.5	Very low	59.8	Low	158 Å²	158	61.4 Å²	61.4	74%	0.738	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	155.5	-178.6	-60.6	-177.6	144.9	0	0	111.4	V564 V568	V564-E566 HydrophobicContact CG1-CG 4.31Å; E566-V568 PolarHBondContact O-N 3.15Å
567	N	55.2	Low	61.8	Low	64 Å²	64	59.8 Å²	59.8	34%	0.342	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	22.8	175.8	-58.3	-13.4	0	0	0	117.3	E552 D569	E552-N567 PolarHBondContact OE1-ND2 2.94Å; N567-D569 PolarHBondContact O-N 3.46Å
568	V	64.9	Low	63.1	Low	37 Å²	37	60 Å²	60	22%	0.224	33%	0.332	C	S	.	.			trans	-79.6	115.1	171.5	-179.2	0	0	0	0	111.9	I557 Q565 E566 V573 F642	I557-V568 HydrophobicContact CD1-CB 3.76Å; I557-V568 HydrophobicContact CD1-CG2 4.46Å; Q565-V568 HydrophobicContact CB-CG2 4.15Å; Q565-V568 HydrophobicContact CG-CG2 4.14Å; Q565-V568 WeakPolarHBondContact O-CG2 3.38Å; E566-V568 PolarHBondContact O-N 3.15Å; V568-V573 HydrophobicContact CG1-CG2 3.59Å; V568-F642 WeakPolarHBondContact O-CD1 3.14Å
569	D	76.1	Confident	64.5	Low	52 Å²	52	62.3 Å²	62.3	28%	0.278	34%	0.341	S	S	.	.			trans	-68	130.7	172.4	174.4	13	0	0	0	111.5	M532 L555 N567 S571 S572	M532-D569 WeakPolarHBondContact CE-OD1 3.25Å; L555-D569 HydrophobicContact CD1-CB 4.11Å; N567-D569 PolarHBondContact O-N 3.46Å; D569-S571 VanDerWaalsContact CG-OG 3.29Å; D569-S571 PolarHBondContact O-N 3.08Å; D569-S571 VanDerWaalsContact O-N 3.12Å; D569-S571 PolarHBondContact OD1-N 3.15Å; D569-S571 VanDerWaalsContact OD2-CB 3.25Å; D569-S571 WeakPolarHBondContact OD2-CB 3.34Å; D569-S571 PolarHBondContact OD2-OG 3.21Å; D569-S572 WeakPolarHBondContact O-CB 3.32Å; D569-S572 PolarHBondContact O-N 2.62Å; D569-S572 PolarHBondContact O-OG 3.27Å
570	I	84.3	Confident	66.2	Low	2 Å²	2	63 Å²	63	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-50.6	-34.4	173.1	-171.4	172.9	0	0	0	112.2	M532 S572 V573 Y574 I604 F642 F649 V651	M532-I570 HydrophobicContact CE-CG2 3.62Å; I570-S572 PolarHBondContact O-N 3.01Å; I570-S572 VanDerWaalsContact O-N 3.17Å; I570-V573 PolarHBondContact O-N 3.08Å; I570-V573 VanDerWaalsContact O-N 3.08Å; I570-Y574 HydrophobicContact CG1-CD2 3.95Å; I570-Y574 PolarHBondContact O-N 3.13Å; I570-I604 HydrophobicContact CD1-CG2 4.44Å; I570-F642 HydrophobicContact CB-CB 4.15Å; I570-F642 HydrophobicContact CB-CD1 3.9Å; I570-F642 HydrophobicContact CB-CD2 3.79Å; I570-F642 HydrophobicContact CB-CE1 4.2Å; I570-F642 HydrophobicContact CB-CE2 4.1Å; I570-F642 HydrophobicContact CB-CG 3.69Å; I570-F642 HydrophobicContact CB-CZ 4.3Å; I570-F642 HydrophobicContact CD1-CD2 3.68Å; I570-F642 HydrophobicContact CD1-CE2 4.15Å; I570-F642 HydrophobicContact CD1-CG 4.27Å; I570-F642 HydrophobicContact CG1-CD2 3.66Å; I570-F642 HydrophobicContact CG1-CE2 3.77Å; I570-F642 HydrophobicContact CG1-CG 4.11Å; I570-F642 HydrophobicContact CG1-CZ 4.31Å; I570-F649 HydrophobicContact CD1-CB 3.45Å; I570-F649 VanDerWaalsContact CD1-CB 3.45Å; I570-F649 HydrophobicContact CD1-CD1 3.73Å; I570-F649 HydrophobicContact CD1-CD2 4.47Å; I570-F649 HydrophobicContact CD1-CG 3.66Å; I570-V651 HydrophobicContact CD1-CG2 4.3Å
571	S	81.9	Confident	68.1	Low	26 Å²	26	64.5 Å²	64.5	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-23.3	178.9	92.6	0	0	0	0	113.6	D569 R596	D569-S571 VanDerWaalsContact CG-OG 3.29Å; D569-S571 PolarHBondContact O-N 3.08Å; D569-S571 VanDerWaalsContact O-N 3.12Å; D569-S571 PolarHBondContact OD1-N 3.15Å; D569-S571 VanDerWaalsContact OD2-CB 3.25Å; D569-S571 WeakPolarHBondContact OD2-CB 3.34Å; D569-S571 PolarHBondContact OD2-OG 3.21Å; S571-R596 PolarHBondContact O-NE 2.94Å; S571-R596 PolarHBondContact O-NH2 2.93Å
572	S	82	Confident	69.9	Low	44 Å²	44	61.2 Å²	61.2	31%	0.308	33%	0.331	S	S	.	.	H	α-helix	trans	-85.4	-16.7	178	73	0	0	0	0	113.8	D569 I570	D569-S572 WeakPolarHBondContact O-CB 3.32Å; D569-S572 PolarHBondContact O-N 2.62Å; D569-S572 PolarHBondContact O-OG 3.27Å; I570-S572 PolarHBondContact O-N 3.01Å; I570-S572 VanDerWaalsContact O-N 3.17Å
573	V	85.5	Confident	71.5	Confident	22 Å²	22	58.2 Å²	58.2	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-108.6	-37.3	-177.5	-168.8	0	0	0	0	111.5	V568 I570 R596 F642	V568-V573 HydrophobicContact CG1-CG2 3.59Å; I570-V573 PolarHBondContact O-N 3.08Å; I570-V573 VanDerWaalsContact O-N 3.08Å; V573-R596 WeakPolarHBondContact O-CB 3.49Å; V573-R596 WeakPolarHBondContact O-CG 3.47Å; V573-R596 PolarHBondContact O-N 3.25Å; V573-F642 HydrophobicContact CB-CZ 4.41Å; V573-F642 HydrophobicContact CG2-CZ 4.35Å
574	Y	88.6	Confident	72.9	Confident	10 Å²	10	53.8 Å²	53.8	4%	0.039	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.8	-176.2	-56.5	-88.4	0	0	0	112.3	I570 K594 H595 R596 V602 E639 C640 F642 V651	I570-Y574 HydrophobicContact CG1-CD2 3.95Å; I570-Y574 PolarHBondContact O-N 3.13Å; Y574-K594 CarbonylContact C-O 3.53Å; Y574-K594 WeakPolarHBondContact CA-O 3.48Å; Y574-H595 HydrophobicContact CD1-CB 3.81Å; Y574-H595 HydrophobicContact CE1-CB 3.66Å; Y574-H595 AromaticContact CE1-CD2 3.49Å; Y574-H595 VanDerWaalsContact CE1-CD2 3.49Å; Y574-H595 WeakPolarHBondContact CE1-CD2 3.19Å; Y574-H595 AromaticContact CE1-CG 3.79Å; Y574-H595 AromaticContact CZ-CD2 3.69Å; Y574-R596 VanDerWaalsContact C-NE 3.3Å; Y574-R596 PolarHBondContact O-NE 3.16Å; Y574-R596 PolarHBondContact O-NH2 3.26Å; Y574-V602 HydrophobicContact CD1-CG1 4.46Å; Y574-V602 HydrophobicContact CD1-CG2 3.84Å; Y574-V602 HydrophobicContact CE1-CG1 4.16Å; Y574-V602 HydrophobicContact CE1-CG2 4.33Å; Y574-E639 VanDerWaalsContact OH-CD 3.27Å; Y574-E639 PolarHBondContact OH-OE1 3.17Å; Y574-E639 VanDerWaalsContact OH-OE1 3.06Å; Y574-C640 PolarHBondContact OH-SG 2.68Å; Y574-F642 AromaticContact CD2-CE2 3.85Å; Y574-F642 HydrophobicContact CD2-CE2 3.85Å; Y574-F642 HydrophobicContact CD2-CZ 4.13Å; Y574-F642 AromaticContact CE2-CE2 3.56Å; Y574-F642 HydrophobicContact CE2-CE2 3.56Å; Y574-F642 AromaticContact CE2-CZ 3.8Å; Y574-F642 HydrophobicContact CE2-CZ 3.8Å; Y574-V651 HydrophobicContact CD1-CG1 4.18Å; Y574-V651 HydrophobicContact CD2-CG2 4.44Å; Y574-V651 HydrophobicContact CE1-CG1 3.7Å; Y574-V651 HydrophobicContact CE2-CG1 4.48Å; Y574-V651 HydrophobicContact CE2-CG2 4.3Å
575	Q	88.6	Confident	73.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.6	159.3	-172.7	-174.5	-1.9	0	0	109.2	S463 F577 G593 K594	S463-Q575 VanDerWaalsContact CA-OE1 3.24Å; S463-Q575 PolarHBondContact OG-OE1 3.31Å; Q575-F577 VanDerWaalsContact CD-CE1 3.42Å; Q575-F577 HydrophobicContact CG-CD1 4.27Å; Q575-F577 HydrophobicContact CG-CE1 4.11Å; Q575-G593 CarbonylContact O-C 2.94Å; Q575-G593 WeakPolarHBondContact O-CA 3.29Å; Q575-K594 PolarHBondContact N-O 2.91Å; Q575-K594 PolarHBondContact O-N 3.31Å
576	I	87.8	Confident	74.1	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.8	170	-50.3	174.6	0	0	0	108.5	P533 V534 A578 Y591 I604 V606 F649	P533-I576 VanDerWaalsContact CG-O 3.3Å; P533-I576 WeakPolarHBondContact CG-O 3.06Å; V534-I576 HydrophobicContact CG2-CB 4.27Å; V534-I576 HydrophobicContact CG2-CD1 4.12Å; V534-I576 HydrophobicContact CG2-CG2 3.83Å; I576-A578 PolarHBondContact O-N 3.08Å; I576-Y591 HydrophobicContact CG2-CD1 4.48Å; I576-Y591 HydrophobicContact CG2-CD2 4.13Å; I576-Y591 HydrophobicContact CG2-CG 3.83Å; I576-I604 HydrophobicContact CD1-CG2 4.33Å; I576-I604 HydrophobicContact CG1-CD1 3.86Å; I576-I604 HydrophobicContact CG1-CG2 4.44Å; I576-V606 HydrophobicContact CD1-CG2 4.42Å; I576-F649 HydrophobicContact CD1-CD1 3.83Å; I576-F649 HydrophobicContact CD1-CE1 3.67Å
577	F	84.2	Confident	74.8	Confident	25 Å²	25	42.8 Å²	42.8	11%	0.11	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	92.3	176.8	-57.2	-51.9	0	0	0	110	Q575 D579 E580 G592 K594	Q575-F577 VanDerWaalsContact CD-CE1 3.42Å; Q575-F577 HydrophobicContact CG-CD1 4.27Å; Q575-F577 HydrophobicContact CG-CE1 4.11Å; F577-D579 PolarHBondContact O-N 3.42Å; F577-D579 VanDerWaalsContact O-N 3.09Å; F577-E580 HydrophobicContact CB-CB 3.81Å; F577-E580 WeakPolarHBondContact CD2-OE2 3.46Å; F577-E580 PolarHBondContact O-N 3.25Å; F577-G592 WeakPolarHBondContact CB-O 3.4Å; F577-G592 PolarHBondContact N-O 2.89Å; F577-K594 HydrophobicContact CE2-CB 4Å; F577-K594 HydrophobicContact CZ-CB 3.76Å; F577-K594 HydrophobicContact CZ-CD 4.32Å
578	A	75	Confident	75.6	Confident	35 Å²	35	40.1 Å²	40.1	29%	0.289	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	-17.8	-175.4	0	0	0	0	0	115	P533 I576	P533-A578 HydrophobicContact CB-CB 3.82Å; P533-A578 HydrophobicContact CG-CB 3.81Å; I576-A578 PolarHBondContact O-N 3.08Å
579	D	76	Confident	76.3	Confident	88 Å²	88	41 Å²	41	47%	0.471	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-6.4	172.8	69.6	-73.6	0	0	0	114.4	S442 K443 F577	S442-D579 PolarHBondContact OG-OD1 2.91Å; K443-D579 VanDerWaalsContact CE-CG 3.43Å; K443-D579 WeakPolarHBondContact CE-OD1 3.38Å; K443-D579 WeakPolarHBondContact CE-OD2 2.99Å; K443-D579 IonicContact NZ-OD1 3.87Å; K443-D579 PolarHBondContact NZ-OD1 3.33Å; K443-D579 IonicContact NZ-OD2 2.77Å; K443-D579 PolarHBondContact NZ-OD2 2.9Å; F577-D579 PolarHBondContact O-N 3.42Å; F577-D579 VanDerWaalsContact O-N 3.09Å
580	E	79.5	Confident	76.7	Confident	63 Å²	63	40 Å²	40	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	72.5	175	-165.6	-178.8	170	0	0	110.1	F577 L582 Y591 G592 K654	F577-E580 HydrophobicContact CB-CB 3.81Å; F577-E580 WeakPolarHBondContact CD2-OE2 3.46Å; F577-E580 PolarHBondContact O-N 3.25Å; E580-L582 HydrophobicContact CG-CD2 4.15Å; E580-L582 PolarHBondContact O-N 3.41Å; E580-Y591 CarbonylContact O-C 3.57Å; E580-Y591 WeakPolarHBondContact O-CA 3.27Å; E580-G592 PolarHBondContact O-N 2.88Å; E580-K654 WeakPolarHBondContact OE1-CE 3.23Å; E580-K654 IonicContact OE1-NZ 3.53Å; E580-K654 PolarHBondContact OE1-NZ 2.84Å; E580-K654 IonicContact OE2-NZ 3.18Å
581	V	80.8	Confident	76.8	Confident	61 Å²	61	41.1 Å²	41.1	37%	0.37	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	116.5	169.5	175.9	0	0	0	0	108.7	I589 Y591	V581-I589 HydrophobicContact CG1-CG2 3.78Å; V581-I589 HydrophobicContact CG2-CG2 4.04Å; V581-Y591 HydrophobicContact CG2-CD1 3.96Å; V581-Y591 HydrophobicContact CG2-CE1 3.66Å
582	L	78.4	Confident	77.1	Confident	80 Å²	80	39.9 Å²	39.9	42%	0.419	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-31.3	174.8	-58.8	177.4	0	0	0	111.5	E580 V590 A603 K654	E580-L582 HydrophobicContact CG-CD2 4.15Å; E580-L582 PolarHBondContact O-N 3.41Å; L582-V590 HydrophobicContact CB-CG1 4.23Å; L582-V590 HydrophobicContact CD1-CG1 4.45Å; L582-V590 PolarHBondContact N-O 3.33Å; L582-A603 HydrophobicContact CD1-CB 4.06Å; L582-K654 HydrophobicContact CD1-CG 4.29Å
583	G	69.5	Low	77.5	Confident	26 Å²	26	37.8 Å²	37.8	27%	0.268	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	169.7	178.5	0	0	0	0	0	113.7	V590	G583-V590 PolarHBondContact N-O 3.29Å; G583-V590 PolarHBondContact O-N 3.36Å
584	S	64.4	Low	77.7	Confident	97 Å²	97	39.8 Å²	39.8	68%	0.678	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	110.7	176.2	59.6	0	0	0	0	110.4
585	G	55.6	Low	77.8	Confident	39 Å²	39	40.4 Å²	40.4	40%	0.402	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	179.5	178	0	0	0	0	0	112.4	F587 G588	G585-F587 PolarHBondContact O-N 2.88Å; G585-G588 PolarHBondContact N-O 2.95Å; G585-G588 PolarHBondContact O-N 3.47Å
586	Q	53.2	Low	77.6	Confident	111 Å²	111	41.1 Å²	41.1	52%	0.519	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-36	178.7	179.1	173	-3.2	0	0	112.6	F612	Q586-F612 WeakPolarHBondContact O-CE1 3.42Å; Q586-F612 WeakPolarHBondContact O-CZ 3.48Å
587	F	59.4	Low	77.5	Confident	9 Å²	9	48.7 Å²	48.7	4%	0.039	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-15	-173.6	-54.4	-75.5	0	0	0	114.1	G585 I607 F612 F723	G585-F587 PolarHBondContact O-N 2.88Å; F587-I607 HydrophobicContact CB-CD1 4.26Å; F587-I607 HydrophobicContact CB-CG1 4.42Å; F587-I607 WeakPolarHBondContact O-CG1 3.49Å; F587-I607 WeakPolarHBondContact O-CG2 3.37Å; F587-F612 WeakPolarHBondContact O-CE2 3.32Å; F587-F723 HydrophobicContact CE2-CE1 4.3Å; F587-F723 HydrophobicContact CE2-CE2 4.45Å; F587-F723 HydrophobicContact CE2-CZ 4.18Å; F587-F723 HydrophobicContact CZ-CE1 4.2Å; F587-F723 HydrophobicContact CZ-CZ 4.46Å
588	G	71.1	Confident	77.7	Confident	8 Å²	8	51.9 Å²	51.9	8%	0.082	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-177.6	-171.3	0	0	0	0	0	115.4	G585 V606	G585-G588 PolarHBondContact N-O 2.95Å; G585-G588 PolarHBondContact O-N 3.47Å; G588-V606 WeakPolarHBondContact CA-O 3.11Å
589	I	79.8	Confident	78.2	Confident	57 Å²	57	52 Å²	52	29%	0.292	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.5	178.1	-57.3	175.8	0	0	0	108.3	V581 Y591 V606	V581-I589 HydrophobicContact CG1-CG2 3.78Å; V581-I589 HydrophobicContact CG2-CG2 4.04Å; I589-Y591 HydrophobicContact CB-CD2 4.38Å; I589-Y591 HydrophobicContact CB-CE2 3.71Å; I589-Y591 HydrophobicContact CG2-CD1 4.47Å; I589-Y591 HydrophobicContact CG2-CD2 4.05Å; I589-Y591 HydrophobicContact CG2-CE1 4.03Å; I589-Y591 HydrophobicContact CG2-CE2 3.57Å; I589-Y591 HydrophobicContact CG2-CG 4.49Å; I589-V606 PolarHBondContact N-O 3.05Å; I589-V606 PolarHBondContact O-N 3.47Å
590	V	84.4	Confident	78.9	Confident	30 Å²	30	53.1 Å²	53.1	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.1	173.9	-172.4	0	0	0	0	108.3	L582 G583 A603 I604 K605	L582-V590 HydrophobicContact CB-CG1 4.23Å; L582-V590 HydrophobicContact CD1-CG1 4.45Å; L582-V590 PolarHBondContact N-O 3.33Å; G583-V590 PolarHBondContact N-O 3.29Å; G583-V590 PolarHBondContact O-N 3.36Å; V590-A603 HydrophobicContact CG1-CB 4.1Å; V590-I604 WeakPolarHBondContact CA-O 3.43Å; V590-K605 HydrophobicContact CG2-CB 4.12Å; V590-K605 HydrophobicContact CG2-CG 4.06Å
591	Y	86.2	Confident	79.5	Confident	25 Å²	25	53.2 Å²	53.2	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	150.9	176.5	-65	-87.1	0	0	0	110.9	V534 I576 E580 V581 I589 I604 V606	V534-Y591 HydrophobicContact CG1-CE2 4.05Å; V534-Y591 HydrophobicContact CG2-CE2 4.41Å; I576-Y591 HydrophobicContact CG2-CD1 4.48Å; I576-Y591 HydrophobicContact CG2-CD2 4.13Å; I576-Y591 HydrophobicContact CG2-CG 3.83Å; E580-Y591 CarbonylContact O-C 3.57Å; E580-Y591 WeakPolarHBondContact O-CA 3.27Å; V581-Y591 HydrophobicContact CG2-CD1 3.96Å; V581-Y591 HydrophobicContact CG2-CE1 3.66Å; I589-Y591 HydrophobicContact CB-CD2 4.38Å; I589-Y591 HydrophobicContact CB-CE2 3.71Å; I589-Y591 HydrophobicContact CG2-CD1 4.47Å; I589-Y591 HydrophobicContact CG2-CD2 4.05Å; I589-Y591 HydrophobicContact CG2-CE1 4.03Å; I589-Y591 HydrophobicContact CG2-CE2 3.57Å; I589-Y591 HydrophobicContact CG2-CG 4.49Å; Y591-I604 PolarHBondContact N-O 3.32Å; Y591-I604 PolarHBondContact O-N 2.92Å; Y591-V606 HydrophobicContact CD2-CB 4.29Å; Y591-V606 HydrophobicContact CD2-CG2 3.71Å; Y591-V606 HydrophobicContact CE2-CB 4.17Å; Y591-V606 HydrophobicContact CE2-CG2 4Å
592	G	88.5	Confident	80.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	147.1	158.3	0	0	0	0	0	109.8	F577 E580	F577-G592 WeakPolarHBondContact CB-O 3.4Å; F577-G592 PolarHBondContact N-O 2.89Å; E580-G592 PolarHBondContact O-N 2.88Å
593	G	90.6	Very high	80.8	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	-179.1	175.3	0	0	0	0	0	111.5	Q575 D601 V602	Q575-G593 CarbonylContact O-C 2.94Å; Q575-G593 WeakPolarHBondContact O-CA 3.29Å; G593-D601 WeakPolarHBondContact O-CA 3.35Å; G593-V602 VanDerWaalsContact C-CG2 3.45Å; G593-V602 PolarHBondContact N-O 2.86Å; G593-V602 PolarHBondContact O-N 3.1Å
594	K	90.1	Very high	81.7	Confident	64 Å²	64	45.8 Å²	45.8	28%	0.278	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	129.7	-178.4	-160.5	163.8	-165.3	161.5	0	111.3	Y574 Q575 F577 R596 G599 R600 D601	Y574-K594 CarbonylContact C-O 3.53Å; Y574-K594 WeakPolarHBondContact CA-O 3.48Å; Q575-K594 PolarHBondContact N-O 2.91Å; Q575-K594 PolarHBondContact O-N 3.31Å; F577-K594 HydrophobicContact CE2-CB 4Å; F577-K594 HydrophobicContact CZ-CB 3.76Å; F577-K594 HydrophobicContact CZ-CD 4.32Å; K594-R596 PolarHBondContact O-N 2.84Å; K594-G599 WeakPolarHBondContact CE-O 3.43Å; K594-R600 WeakPolarHBondContact CA-O 3.43Å; K594-D601 WeakPolarHBondContact CE-OD1 3.26Å; K594-D601 IonicContact NZ-OD1 3.92Å
595	H	90	Very high	82.8	Confident	23 Å²	23	41.6 Å²	41.6	11%	0.106	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	121	171.2	-174.9	-47.1	0	0	0	108.9	Y574 K597 T598 G599 R600 E639	Y574-H595 HydrophobicContact CD1-CB 3.81Å; Y574-H595 HydrophobicContact CE1-CB 3.66Å; Y574-H595 AromaticContact CE1-CD2 3.49Å; Y574-H595 VanDerWaalsContact CE1-CD2 3.49Å; Y574-H595 WeakPolarHBondContact CE1-CD2 3.19Å; Y574-H595 AromaticContact CE1-CG 3.79Å; Y574-H595 AromaticContact CZ-CD2 3.69Å; H595-K597 PolarHBondContact ND1-N 3.08Å; H595-T598 WeakPolarHBondContact CB-OG1 3.46Å; H595-T598 VanDerWaalsContact CG-OG1 3.27Å; H595-T598 PolarHBondContact ND1-OG1 2.79Å; H595-G599 WeakPolarHBondContact O-CA 3.22Å; H595-G599 PolarHBondContact O-N 2.92Å; H595-R600 PolarHBondContact N-O 3.16Å; H595-E639 IonicContact CD2-OE1 2.7Å
596	R	85.7	Confident	84.1	Confident	16 Å²	16	40.2 Å²	40.2	6%	0.06	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-50.3	-169.1	-64.7	173.2	-179.3	-74.8	-5.3	113.5	L462 I465 L466 S571 V573 Y574 K594	L462-R596 PolarHBondContact O-NH1 3.11Å; I465-R596 PolarHBondContact O-NH1 3.33Å; L466-R596 HydrophobicContact CD2-CB 3.89Å; S571-R596 PolarHBondContact O-NE 2.94Å; S571-R596 PolarHBondContact O-NH2 2.93Å; V573-R596 WeakPolarHBondContact O-CB 3.49Å; V573-R596 WeakPolarHBondContact O-CG 3.47Å; V573-R596 PolarHBondContact O-N 3.25Å; Y574-R596 VanDerWaalsContact C-NE 3.3Å; Y574-R596 PolarHBondContact O-NE 3.16Å; Y574-R596 PolarHBondContact O-NH2 3.26Å; K594-R596 PolarHBondContact O-N 2.84Å
597	K	84.8	Confident	85.3	Confident	166 Å²	166	35.2 Å²	35.2	72%	0.722	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-37	-177.2	-55.4	-178.7	-178.8	175.4	0	114.4	L466 H595	L466-K597 HydrophobicContact CD2-CG 4.47Å; H595-K597 PolarHBondContact ND1-N 3.08Å
598	T	88.4	Confident	86	Confident	92 Å²	92	36.7 Å²	36.7	56%	0.564	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-16.4	-173.9	57.8	0	0	0	0	113.3	H595 R600	H595-T598 WeakPolarHBondContact CB-OG1 3.46Å; H595-T598 VanDerWaalsContact CG-OG1 3.27Å; H595-T598 PolarHBondContact ND1-OG1 2.79Å; T598-R600 PolarHBondContact O-N 2.9Å; T598-R600 PolarHBondContact OG1-N 3.08Å
599	G	84.9	Confident	86	Confident	37 Å²	37	38.9 Å²	38.9	38%	0.381	20%	0.196	S	C	.	.			trans	67.1	11.4	-173.8	0	0	0	0	0	114.5	K594 H595	K594-G599 WeakPolarHBondContact CE-O 3.43Å; H595-G599 WeakPolarHBondContact O-CA 3.22Å; H595-G599 PolarHBondContact O-N 2.92Å
600	R	91.4	Very high	85.4	Confident	111 Å²	111	43.5 Å²	43.5	42%	0.419	22%	0.219	S	C	.	.			trans	-78	135.6	176.8	177.8	167.5	52	66	2.9	111	K594 H595 T598 V602 E639	K594-R600 WeakPolarHBondContact CA-O 3.43Å; H595-R600 PolarHBondContact N-O 3.16Å; T598-R600 PolarHBondContact O-N 2.9Å; T598-R600 PolarHBondContact OG1-N 3.08Å; R600-V602 VanDerWaalsContact NH1-CG1 3.34Å; R600-E639 IonicContact CZ-OE1 3.63Å; R600-E639 IonicContact CZ-OE2 3.42Å; R600-E639 IonicContact NH1-OE1 3.65Å; R600-E639 IonicContact NH1-OE2 3.99Å; R600-E639 PolarHBondContact NH1-OE2 2.85Å; R600-E639 IonicContact NH2-OE1 3.3Å; R600-E639 PolarHBondContact NH2-OE1 2.97Å; R600-E639 IonicContact NH2-OE2 3.2Å; R600-E639 PolarHBondContact NH2-OE2 2.96Å
601	D	92	Very high	84.3	Confident	66 Å²	66	50.7 Å²	50.7	35%	0.353	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	144.7	173.5	-73.2	5.7	0	0	0	111.3	G593 K594 K654	G593-D601 WeakPolarHBondContact O-CA 3.35Å; K594-D601 WeakPolarHBondContact CE-OD1 3.26Å; K594-D601 IonicContact NZ-OD1 3.92Å; D601-K654 HydrophobicContact CB-CB 4.37Å; D601-K654 HydrophobicContact CB-CD 3.74Å; D601-K654 IonicContact OD2-NZ 3.68Å
602	V	93.3	Very high	82.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	159.4	-177.8	-70.4	0	0	0	0	111.6	Y574 G593 R600 I604 E639 V651 M652	Y574-V602 HydrophobicContact CD1-CG1 4.46Å; Y574-V602 HydrophobicContact CD1-CG2 3.84Å; Y574-V602 HydrophobicContact CE1-CG1 4.16Å; Y574-V602 HydrophobicContact CE1-CG2 4.33Å; G593-V602 VanDerWaalsContact C-CG2 3.45Å; G593-V602 PolarHBondContact N-O 2.86Å; G593-V602 PolarHBondContact O-N 3.1Å; R600-V602 VanDerWaalsContact NH1-CG1 3.34Å; V602-I604 HydrophobicContact CG2-CD1 3.84Å; V602-I604 HydrophobicContact CG2-CG1 3.89Å; V602-E639 WeakPolarHBondContact CG1-OE2 3.43Å; V602-V651 HydrophobicContact CB-CG1 4Å; V602-V651 HydrophobicContact CG1-CG1 4.06Å; V602-V651 HydrophobicContact CG2-CG1 4.24Å; V602-M652 WeakPolarHBondContact CA-O 3.44Å; V602-M652 WeakPolarHBondContact CB-O 3.43Å
603	A	92.6	Very high	80.9	Confident	10 Å²	10	55.9 Å²	55.9	8%	0.083	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.8	167.3	0	0	0	0	0	109.4	L582 V590 M652	L582-A603 HydrophobicContact CD1-CB 4.06Å; V590-A603 HydrophobicContact CG1-CB 4.1Å; A603-M652 PolarHBondContact N-O 3.41Å; A603-M652 PolarHBondContact O-N 3.27Å
604	I	90.2	Very high	79.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	104.9	-173.8	-56	176.9	0	0	0	109.2	I570 I576 V590 Y591 V602 V606 F649 V650 V651	I570-I604 HydrophobicContact CD1-CG2 4.44Å; I576-I604 HydrophobicContact CD1-CG2 4.33Å; I576-I604 HydrophobicContact CG1-CD1 3.86Å; I576-I604 HydrophobicContact CG1-CG2 4.44Å; V590-I604 WeakPolarHBondContact CA-O 3.43Å; Y591-I604 PolarHBondContact N-O 3.32Å; Y591-I604 PolarHBondContact O-N 2.92Å; V602-I604 HydrophobicContact CG2-CD1 3.84Å; V602-I604 HydrophobicContact CG2-CG1 3.89Å; I604-V606 HydrophobicContact CG2-CG2 4.07Å; I604-V606 PolarHBondContact O-N 3.11Å; I604-F649 HydrophobicContact CG2-CB 4.36Å; I604-F649 HydrophobicContact CG2-CD1 4.25Å; I604-V650 WeakPolarHBondContact CA-O 3.4Å; I604-V651 HydrophobicContact CG1-CG1 4.37Å; I604-V651 HydrophobicContact CG1-CG2 4.36Å
605	K	86	Confident	77.2	Confident	10 Å²	10	66.9 Å²	66.9	4%	0.043	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	106.7	175.7	-171.9	-176.8	-168.5	-176.1	0	108.4	V590 I607 E623 V650 M652 D720	V590-K605 HydrophobicContact CG2-CB 4.12Å; V590-K605 HydrophobicContact CG2-CG 4.06Å; K605-I607 HydrophobicContact CD-CD1 4.19Å; K605-I607 HydrophobicContact CG-CD1 4.25Å; K605-I607 HydrophobicContact CG-CG1 4.2Å; K605-E623 IonicContact NZ-OE1 3.87Å; K605-E623 PolarHBondContact NZ-OE1 3.18Å; K605-E623 IonicContact NZ-OE2 2.69Å; K605-E623 PolarHBondContact NZ-OE2 2.94Å; K605-V650 HydrophobicContact CB-CB 4.22Å; K605-V650 PolarHBondContact N-O 2.76Å; K605-V650 PolarHBondContact O-N 3.35Å; K605-M652 HydrophobicContact CB-CE 3.88Å; K605-D720 IonicContact NZ-OD1 3.7Å; K605-D720 PolarHBondContact NZ-OD1 3.34Å
606	V	83.9	Confident	75.6	Confident	10 Å²	10	67.9 Å²	67.9	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.2	179.9	-174.7	0	0	0	0	109.5	V534 I576 G588 I589 Y591 I604 F649	V534-V606 HydrophobicContact CG1-CG1 4.3Å; I576-V606 HydrophobicContact CD1-CG2 4.42Å; G588-V606 WeakPolarHBondContact CA-O 3.11Å; I589-V606 PolarHBondContact N-O 3.05Å; I589-V606 PolarHBondContact O-N 3.47Å; Y591-V606 HydrophobicContact CD2-CB 4.29Å; Y591-V606 HydrophobicContact CD2-CG2 3.71Å; Y591-V606 HydrophobicContact CE2-CB 4.17Å; Y591-V606 HydrophobicContact CE2-CG2 4Å; I604-V606 HydrophobicContact CG2-CG2 4.07Å; I604-V606 PolarHBondContact O-N 3.11Å; V606-F649 HydrophobicContact CB-CD1 4.48Å; V606-F649 HydrophobicContact CG1-CD1 4.19Å; V606-F649 HydrophobicContact CG1-CE1 3.88Å; V606-F649 HydrophobicContact CG1-CZ 4.42Å; V606-F649 HydrophobicContact CG2-CD1 3.78Å; V606-F649 HydrophobicContact CG2-CE1 3.98Å
607	I	77	Confident	74.4	Confident	6 Å²	6	70.8 Å²	70.8	3%	0.031	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.4	-175.3	-60.1	173.9	0	0	0	108.9	F587 K605 F612 L620 R647 V648	F587-I607 HydrophobicContact CB-CD1 4.26Å; F587-I607 HydrophobicContact CB-CG1 4.42Å; F587-I607 WeakPolarHBondContact O-CG1 3.49Å; F587-I607 WeakPolarHBondContact O-CG2 3.37Å; K605-I607 HydrophobicContact CD-CD1 4.19Å; K605-I607 HydrophobicContact CG-CD1 4.25Å; K605-I607 HydrophobicContact CG-CG1 4.2Å; I607-F612 HydrophobicContact CG2-CD2 4.28Å; I607-F612 HydrophobicContact CG2-CE2 4.33Å; I607-L620 HydrophobicContact CB-CD1 4.07Å; I607-L620 HydrophobicContact CD1-CD1 3.62Å; I607-L620 HydrophobicContact CD1-CG 4.41Å; I607-L620 HydrophobicContact CG1-CD1 4.43Å; I607-L620 HydrophobicContact CG2-CD1 3.61Å; I607-R647 CarbonylContact O-C 3.55Å; I607-R647 VanDerWaalsContact O-CA 3.24Å; I607-R647 WeakPolarHBondContact O-CA 3.41Å; I607-R647 WeakPolarHBondContact O-CB 3.44Å; I607-V648 HydrophobicContact CB-CB 4.38Å; I607-V648 PolarHBondContact N-O 3.41Å; I607-V648 PolarHBondContact O-N 3.27Å
608	D	74.6	Confident	73.3	Confident	40 Å²	40	66.5 Å²	66.5	21%	0.214	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	104.9	-173.9	-162.1	-61.6	0	0	0	111.3	M610 R611 F612 R647	D608-M610 PolarHBondContact O-N 3.06Å; D608-M610 WeakPolarHBondContact OD1-CB 3.35Å; D608-M610 PolarHBondContact OD1-N 2.67Å; D608-R611 HydrophobicContact CB-CB 4.25Å; D608-R611 WeakPolarHBondContact O-CB 3.47Å; D608-R611 PolarHBondContact O-N 2.85Å; D608-F612 WeakPolarHBondContact O-CD2 3.48Å; D608-R647 IonicContact OD2-CZ 2.59Å; D608-R647 VanDerWaalsContact OD2-CZ 3.24Å; D608-R647 IonicContact OD2-NE 2.68Å; D608-R647 PolarHBondContact OD2-NE 3.17Å; D608-R647 IonicContact OD2-NH2 2.79Å; D608-R647 PolarHBondContact OD2-NH2 2.87Å
609	K	72.1	Confident	72.1	Confident	53 Å²	53	64.5 Å²	64.5	23%	0.23	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-61.9	-31.9	-175.4	-62.4	174.3	168.6	-177.5	0	112.1	R611 F612 E643 T644 P645 E646 V648	K609-R611 PolarHBondContact O-N 2.83Å; K609-F612 PolarHBondContact O-N 2.89Å; K609-F612 VanDerWaalsContact O-N 3.16Å; K609-E643 WeakPolarHBondContact CE-OE1 3.32Å; K609-E643 IonicContact NZ-OE1 2.86Å; K609-E643 PolarHBondContact NZ-OE1 2.97Å; K609-T644 WeakPolarHBondContact CE-O 3.49Å; K609-T644 PolarHBondContact NZ-O 3.09Å; K609-P645 VanDerWaalsContact CD-O 3.29Å; K609-P645 WeakPolarHBondContact CD-O 3.44Å; K609-E646 VanDerWaalsContact CB-O 3.24Å; K609-E646 WeakPolarHBondContact CB-O 3.48Å; K609-E646 PolarHBondContact N-O 3.19Å; K609-V648 HydrophobicContact CG-CG2 4.5Å
610	M	66	Low	71.1	Confident	155 Å²	155	63.5 Å²	63.5	76%	0.764	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-69.6	-16.5	179.4	-59.7	-57.6	-66.8	0	0	112.6	D608 E646	D608-M610 PolarHBondContact O-N 3.06Å; D608-M610 WeakPolarHBondContact OD1-CB 3.35Å; D608-M610 PolarHBondContact OD1-N 2.67Å; M610-E646 HydrophobicContact CG-CB 4.47Å
611	R	61	Low	70	Confident	181 Å²	181	65.3 Å²	65.3	68%	0.683	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-86.3	-13.5	175	-162.5	174.5	-178	-170.4	-1.6	113.6	D608 K609	D608-R611 HydrophobicContact CB-CB 4.25Å; D608-R611 WeakPolarHBondContact O-CB 3.47Å; D608-R611 PolarHBondContact O-N 2.85Å; K609-R611 PolarHBondContact O-N 2.83Å
612	F	55.2	Low	69	Low	33 Å²	33	63.7 Å²	63.7	15%	0.145	31%	0.312	C	S	.	.	S	Bend	trans	-134.4	96.2	-165.8	-59.7	-57.6	0	0	0	112.7	Q586 F587 I607 D608 K609 T614 Q616	Q586-F612 WeakPolarHBondContact O-CE1 3.42Å; Q586-F612 WeakPolarHBondContact O-CZ 3.48Å; F587-F612 WeakPolarHBondContact O-CE2 3.32Å; I607-F612 HydrophobicContact CG2-CD2 4.28Å; I607-F612 HydrophobicContact CG2-CE2 4.33Å; D608-F612 WeakPolarHBondContact O-CD2 3.48Å; K609-F612 PolarHBondContact O-N 2.89Å; K609-F612 VanDerWaalsContact O-N 3.16Å; F612-T614 PolarHBondContact O-N 2.94Å; F612-Q616 HydrophobicContact CB-CB 4.04Å
613	P	49.3	Very low	68.1	Low	100 Å²	100	63.9 Å²	63.9	65%	0.649	31%	0.313	S	S	*	.			trans	-69.8	121.3	-173.5	27	-33.9	0	0	0	113.2	K615	P613-K615 VanDerWaalsContact C-N 3.26Å; P613-K615 PolarHBondContact O-N 2.79Å
614	T	51.9	Low	67.1	Low	121 Å²	121	63.7 Å²	63.7	74%	0.742	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.3	-43.1	159.5	57.1	0	0	0	0	121.1	F612	F612-T614 PolarHBondContact O-N 2.94Å
615	K	51.8	Low	66.5	Low	175 Å²	175	65.9 Å²	65.9	76%	0.761	33%	0.329	S	S	*	.	H	α-helix	trans	-70.3	-38.1	172.9	-81.4	-175.8	175.4	176.5	0	112.2	P613 E617 S618	P613-K615 VanDerWaalsContact C-N 3.26Å; P613-K615 PolarHBondContact O-N 2.79Å; K615-E617 VanDerWaalsContact C-N 3.32Å; K615-E617 PolarHBondContact O-N 3.25Å; K615-S618 PolarHBondContact O-N 3.31Å; K615-S618 PolarHBondContact O-OG 2.96Å
616	Q	54.8	Low	66.3	Low	44 Å²	44	65.6 Å²	65.6	21%	0.206	33%	0.328	C	S	.	.	H	α-helix	trans	-74.3	-22.2	-174.3	-75.3	168.6	-54.5	0	0	113.2	F612 S618 Q619 L620	F612-Q616 HydrophobicContact CB-CB 4.04Å; Q616-S618 PolarHBondContact O-N 2.96Å; Q616-Q619 WeakPolarHBondContact O-CB 3.41Å; Q616-Q619 PolarHBondContact O-N 3.29Å; Q616-L620 PolarHBondContact O-N 2.84Å
617	E	61.3	Low	66.1	Low	76 Å²	76	65.4 Å²	65.4	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-56.8	-37	170.3	-163.4	-165.2	142.7	0	0	112	K615 Q619 L620 R621	K615-E617 VanDerWaalsContact C-N 3.32Å; K615-E617 PolarHBondContact O-N 3.25Å; E617-Q619 VanDerWaalsContact C-N 3.31Å; E617-Q619 PolarHBondContact O-N 2.94Å; E617-L620 PolarHBondContact O-N 3.31Å; E617-R621 WeakPolarHBondContact O-CG 3.47Å; E617-R621 PolarHBondContact O-N 3.37Å; E617-R621 IonicContact OE1-CZ 2.69Å; E617-R621 IonicContact OE1-NE 3.16Å; E617-R621 PolarHBondContact OE1-NE 3.44Å; E617-R621 IonicContact OE1-NH2 2.79Å; E617-R621 PolarHBondContact OE1-NH2 3.04Å
618	S	61.8	Low	66.3	Low	76 Å²	76	67.7 Å²	67.7	53%	0.531	34%	0.337	S	S	.	.	H	α-helix	trans	-67.5	-30.2	175.8	73	0	0	0	0	113.3	K615 Q616 N622	K615-S618 PolarHBondContact O-N 3.31Å; K615-S618 PolarHBondContact O-OG 2.96Å; Q616-S618 PolarHBondContact O-N 2.96Å; S618-N622 WeakPolarHBondContact O-CB 3.42Å; S618-N622 PolarHBondContact O-N 3.3Å; S618-N622 VanDerWaalsContact O-N 3.12Å
619	Q	62.2	Low	66.6	Low	50 Å²	50	70.9 Å²	70.9	23%	0.234	35%	0.354	C	S	.	.	H	α-helix	trans	-74.3	-39.5	176.6	-62.4	-179.3	-46.1	0	0	111.2	Q616 E617 N622 E623	Q616-Q619 WeakPolarHBondContact O-CB 3.41Å; Q616-Q619 PolarHBondContact O-N 3.29Å; E617-Q619 VanDerWaalsContact C-N 3.31Å; E617-Q619 PolarHBondContact O-N 2.94Å; Q619-N622 WeakPolarHBondContact O-CB 3.35Å; Q619-N622 PolarHBondContact O-N 2.87Å; Q619-E623 PolarHBondContact O-N 3.48Å
620	L	64.2	Low	67.3	Low	17 Å²	17	68.7 Å²	68.7	9%	0.089	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-47.9	173.4	177.7	150.1	0	0	0	111.9	I607 Q616 E617 N622 E623 V624 V648	I607-L620 HydrophobicContact CB-CD1 4.07Å; I607-L620 HydrophobicContact CD1-CD1 3.62Å; I607-L620 HydrophobicContact CD1-CG 4.41Å; I607-L620 HydrophobicContact CG1-CD1 4.43Å; I607-L620 HydrophobicContact CG2-CD1 3.61Å; Q616-L620 PolarHBondContact O-N 2.84Å; E617-L620 PolarHBondContact O-N 3.31Å; L620-N622 PolarHBondContact O-N 2.83Å; L620-E623 PolarHBondContact O-N 2.86Å; L620-E623 VanDerWaalsContact O-N 3.16Å; L620-V624 HydrophobicContact CD2-CG2 4.47Å; L620-V624 WeakPolarHBondContact O-CG2 3.25Å; L620-V624 PolarHBondContact O-N 3.43Å; L620-V648 HydrophobicContact CD1-CB 3.85Å; L620-V648 HydrophobicContact CD1-CG1 4.21Å; L620-V648 HydrophobicContact CD1-CG2 3.7Å; L620-V648 HydrophobicContact CD2-CB 4.46Å; L620-V648 HydrophobicContact CD2-CG1 4.22Å; L620-V648 HydrophobicContact CD2-CG2 3.93Å; L620-V648 HydrophobicContact CG-CG2 4.49Å
621	R	68	Low	68.3	Low	148 Å²	148	66.5 Å²	66.5	56%	0.558	33%	0.333	S	S	*	.	H	α-helix	trans	-59.2	-35.7	176.1	-71.1	173.3	-178.4	-107.5	6.3	111.2	E617 A625	E617-R621 WeakPolarHBondContact O-CG 3.47Å; E617-R621 PolarHBondContact O-N 3.37Å; E617-R621 IonicContact OE1-CZ 2.69Å; E617-R621 IonicContact OE1-NE 3.16Å; E617-R621 PolarHBondContact OE1-NE 3.44Å; E617-R621 IonicContact OE1-NH2 2.79Å; E617-R621 PolarHBondContact OE1-NH2 3.04Å; R621-A625 VanDerWaalsContact O-CB 3.22Å; R621-A625 WeakPolarHBondContact O-CB 3.38Å; R621-A625 PolarHBondContact O-N 2.88Å
622	N	71.5	Confident	69.8	Low	32 Å²	32	59.5 Å²	59.5	17%	0.171	31%	0.308	C	S	.	.	H	α-helix	trans	-69.4	-43.2	173.6	171.5	95.4	0	0	0	113.1	S618 Q619 L620 V624 A625 I626 A724	S618-N622 WeakPolarHBondContact O-CB 3.42Å; S618-N622 PolarHBondContact O-N 3.3Å; S618-N622 VanDerWaalsContact O-N 3.12Å; Q619-N622 WeakPolarHBondContact O-CB 3.35Å; Q619-N622 PolarHBondContact O-N 2.87Å; L620-N622 PolarHBondContact O-N 2.83Å; N622-V624 VanDerWaalsContact C-N 3.33Å; N622-V624 PolarHBondContact O-N 2.88Å; N622-A625 PolarHBondContact O-N 3.18Å; N622-I626 WeakPolarHBondContact ND2-CD1 3.42Å; N622-I626 WeakPolarHBondContact O-CB 3.37Å; N622-I626 VanDerWaalsContact O-CG1 3.29Å; N622-I626 WeakPolarHBondContact O-CG1 3.36Å; N622-I626 PolarHBondContact O-N 3.44Å; N622-A724 PolarHBondContact ND2-O 3.22Å
623	E	75.2	Confident	71.7	Confident	4 Å²	4	59 Å²	59	2%	0.019	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-48.9	174.8	-178	176.6	177	0	0	110.9	K605 Q619 L620 I626 L627 F721	K605-E623 IonicContact NZ-OE1 3.87Å; K605-E623 PolarHBondContact NZ-OE1 3.18Å; K605-E623 IonicContact NZ-OE2 2.69Å; K605-E623 PolarHBondContact NZ-OE2 2.94Å; Q619-E623 PolarHBondContact O-N 3.48Å; L620-E623 PolarHBondContact O-N 2.86Å; L620-E623 VanDerWaalsContact O-N 3.16Å; E623-I626 PolarHBondContact O-N 3.34Å; E623-L627 HydrophobicContact CG-CD1 4.1Å; E623-L627 WeakPolarHBondContact O-CB 3.4Å; E623-L627 WeakPolarHBondContact O-CG 3.26Å; E623-L627 PolarHBondContact O-N 3.15Å; E623-F721 HydrophobicContact CG-CB 4.05Å
624	V	71.6	Confident	73.9	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-46.7	179.7	174.9	0	0	0	0	111.3	L620 N622 I626 L627 Q628 M641 V650	L620-V624 HydrophobicContact CD2-CG2 4.47Å; L620-V624 WeakPolarHBondContact O-CG2 3.25Å; L620-V624 PolarHBondContact O-N 3.43Å; N622-V624 VanDerWaalsContact C-N 3.33Å; N622-V624 PolarHBondContact O-N 2.88Å; V624-I626 VanDerWaalsContact C-N 3.31Å; V624-I626 PolarHBondContact O-N 2.66Å; V624-L627 PolarHBondContact O-N 3.36Å; V624-Q628 HydrophobicContact CG1-CG 4.29Å; V624-Q628 WeakPolarHBondContact O-CB 3.33Å; V624-Q628 VanDerWaalsContact O-CG 3.31Å; V624-Q628 WeakPolarHBondContact O-CG 3.47Å; V624-Q628 PolarHBondContact O-N 2.85Å; V624-M641 HydrophobicContact CB-SD 4.31Å; V624-M641 HydrophobicContact CG1-SD 3.86Å; V624-M641 HydrophobicContact CG2-SD 3.64Å; V624-V650 HydrophobicContact CG2-CG2 4.36Å
625	A	76.9	Confident	75.9	Confident	46 Å²	46	48.8 Å²	48.8	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-64.7	-32.9	178.9	0	0	0	0	0	113	R621 N622 N629	R621-A625 VanDerWaalsContact O-CB 3.22Å; R621-A625 WeakPolarHBondContact O-CB 3.38Å; R621-A625 PolarHBondContact O-N 2.88Å; N622-A625 PolarHBondContact O-N 3.18Å; A625-N629 PolarHBondContact O-ND2 2.88Å
626	I	82.4	Confident	77.9	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-53.6	171.8	-74.7	173.3	0	0	0	109.8	N622 E623 V624 Q628 N629 L630 I695 F721 A724 I726	N622-I626 WeakPolarHBondContact ND2-CD1 3.42Å; N622-I626 WeakPolarHBondContact O-CB 3.37Å; N622-I626 VanDerWaalsContact O-CG1 3.29Å; N622-I626 WeakPolarHBondContact O-CG1 3.36Å; N622-I626 PolarHBondContact O-N 3.44Å; E623-I626 PolarHBondContact O-N 3.34Å; V624-I626 VanDerWaalsContact C-N 3.31Å; V624-I626 PolarHBondContact O-N 2.66Å; I626-Q628 PolarHBondContact O-N 3.48Å; I626-N629 PolarHBondContact O-N 3.15Å; I626-L630 HydrophobicContact CG2-CD1 3.62Å; I626-L630 HydrophobicContact CG2-CG 4.42Å; I626-L630 WeakPolarHBondContact O-CG 3.39Å; I626-L630 PolarHBondContact O-N 2.99Å; I626-I695 HydrophobicContact CG2-CD1 4.24Å; I626-I695 HydrophobicContact CG2-CG2 4.26Å; I626-F721 HydrophobicContact CG2-CB 4.48Å; I626-F721 HydrophobicContact CG2-CD1 3.82Å; I626-F721 HydrophobicContact CG2-CG 4.42Å; I626-A724 HydrophobicContact CD1-CB 3.9Å; I626-I726 HydrophobicContact CD1-CG1 4.46Å; I626-I726 HydrophobicContact CG1-CD1 4.47Å; I626-I726 HydrophobicContact CG1-CG1 4.45Å
627	L	80.3	Confident	79.5	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-40.5	-178.6	-77.1	170.8	0	0	0	113.1	E623 V624 N629 L630 V636 L638 F721	E623-L627 HydrophobicContact CG-CD1 4.1Å; E623-L627 WeakPolarHBondContact O-CB 3.4Å; E623-L627 WeakPolarHBondContact O-CG 3.26Å; E623-L627 PolarHBondContact O-N 3.15Å; V624-L627 PolarHBondContact O-N 3.36Å; L627-N629 PolarHBondContact O-N 2.81Å; L627-N629 VanDerWaalsContact O-N 3.12Å; L627-L630 PolarHBondContact O-N 3.2Å; L627-L630 VanDerWaalsContact O-N 3.08Å; L627-V636 HydrophobicContact CD2-CG1 4.33Å; L627-L638 HydrophobicContact CB-CB 4.15Å; L627-L638 HydrophobicContact CB-CD2 3.8Å; L627-F721 HydrophobicContact CD2-CB 4.5Å; L627-F721 HydrophobicContact CD2-CD2 3.55Å; L627-F721 HydrophobicContact CD2-CE2 3.94Å; L627-F721 HydrophobicContact CD2-CG 4.08Å; L627-F721 HydrophobicContact CG-CB 4.3Å; L627-F721 HydrophobicContact CG-CD2 4.26Å; L627-F721 HydrophobicContact CG-CG 4.38Å
628	Q	80	Confident	80.8	Confident	54 Å²	54	39.1 Å²	39.1	25%	0.252	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-23.6	175.9	-76.3	173.6	-24.9	0	0	113.6	S558 V624 I626 L638	S558-Q628 PolarHBondContact OG-NE2 3.22Å; S558-Q628 VanDerWaalsContact OG-NE2 3.11Å; V624-Q628 HydrophobicContact CG1-CG 4.29Å; V624-Q628 WeakPolarHBondContact O-CB 3.33Å; V624-Q628 VanDerWaalsContact O-CG 3.31Å; V624-Q628 WeakPolarHBondContact O-CG 3.47Å; V624-Q628 PolarHBondContact O-N 2.85Å; I626-Q628 PolarHBondContact O-N 3.48Å; Q628-L638 HydrophobicContact CG-CD2 3.6Å
629	N	81.2	Confident	82	Confident	108 Å²	108	37.3 Å²	37.3	58%	0.578	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	8.8	-179.6	-72.3	-82.6	0	0	0	113.3	A625 I626 L627 K693	A625-N629 PolarHBondContact O-ND2 2.88Å; I626-N629 PolarHBondContact O-N 3.15Å; L627-N629 PolarHBondContact O-N 2.81Å; L627-N629 VanDerWaalsContact O-N 3.12Å; N629-K693 PolarHBondContact O-NZ 2.84Å
630	L	86.1	Confident	83	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.031	18%	0.178	C	C	.	.			trans	-114.7	116.1	179.8	-70.8	175.1	0	0	0	111.2	I626 L627 I635 L690 K693 I695 F721	I626-L630 HydrophobicContact CG2-CD1 3.62Å; I626-L630 HydrophobicContact CG2-CG 4.42Å; I626-L630 WeakPolarHBondContact O-CG 3.39Å; I626-L630 PolarHBondContact O-N 2.99Å; L627-L630 PolarHBondContact O-N 3.2Å; L627-L630 VanDerWaalsContact O-N 3.08Å; L630-I635 HydrophobicContact CB-CD1 4.46Å; L630-I635 HydrophobicContact CB-CG2 4.38Å; L630-I635 HydrophobicContact CD1-CD1 4.37Å; L630-I635 HydrophobicContact CD1-CG2 4.42Å; L630-I635 HydrophobicContact CD2-CD1 4.1Å; L630-L690 HydrophobicContact CD1-CD2 3.59Å; L630-L690 HydrophobicContact CD2-CD2 3.54Å; L630-L690 HydrophobicContact CG-CD2 4.23Å; L630-K693 HydrophobicContact CD2-CD 3.59Å; L630-I695 HydrophobicContact CD1-CD1 4.41Å; L630-I695 HydrophobicContact CD2-CD1 3.83Å; L630-I695 HydrophobicContact CG-CD1 4.26Å; L630-F721 HydrophobicContact CD1-CD1 4.11Å; L630-F721 HydrophobicContact CD1-CE1 3.64Å; L630-F721 HydrophobicContact CD1-CZ 4.01Å
631	H	87.2	Confident	83.9	Confident	110 Å²	110	35.1 Å²	35.1	51%	0.509	18%	0.177	S	C	.	.			trans	-132.9	111.6	171.6	-63.8	73.4	0	0	0	106.1
632	H	93.2	Very high	84.6	Confident	34 Å²	34	28.6 Å²	28.6	16%	0.157	15%	0.153	C	C	.	.			trans	-167.3	136.9	-178	-178.7	-106	0	0	0	109.2	G634 I635 N689	H632-G634 PolarHBondContact ND1-N 2.74Å; H632-G634 VanDerWaalsContact ND1-N 3.18Å; H632-G634 PolarHBondContact O-N 2.75Å; H632-G634 VanDerWaalsContact O-N 3.1Å; H632-I635 HydrophobicContact CB-CB 4.41Å; H632-I635 HydrophobicContact CB-CD1 3.92Å; H632-I635 HydrophobicContact CB-CG1 4.13Å; H632-I635 PolarHBondContact O-N 2.63Å; H632-N689 PolarHBondContact CD2-ND2 3.36Å
633	P	94.6	Very high	84.9	Confident	22 Å²	22	28.4 Å²	28.4	14%	0.143	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.7	-175.3	-26.1	35.4	0	0	0	114.4	I635 K717 E850 Y852	P633-I635 VanDerWaalsContact C-N 3.33Å; P633-I635 PolarHBondContact O-N 3.27Å; P633-K717 WeakPolarHBondContact O-CE 3.47Å; P633-K717 WeakPolarHBondContact O-CG 3.38Å; P633-E850 VanDerWaalsContact CG-CD 3.45Å; P633-E850 WeakPolarHBondContact CG-OE1 3.46Å; P633-E850 WeakPolarHBondContact CG-OE2 3.11Å; P633-Y852 HydrophobicContact CB-CD1 3.81Å; P633-Y852 HydrophobicContact CB-CD2 4.11Å; P633-Y852 HydrophobicContact CB-CE1 3.61Å; P633-Y852 HydrophobicContact CB-CE2 3.95Å; P633-Y852 HydrophobicContact CB-CG 4.05Å; P633-Y852 HydrophobicContact CG-CD1 3.87Å; P633-Y852 HydrophobicContact CG-CD2 4.23Å; P633-Y852 HydrophobicContact CG-CE1 4.21Å; P633-Y852 HydrophobicContact CG-CG 3.88Å
634	G	95.6	Very high	85	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	12.2	176	0	0	0	0	0	116.3	H632 A686 V716 K717 L718	H632-G634 PolarHBondContact ND1-N 2.74Å; H632-G634 VanDerWaalsContact ND1-N 3.18Å; H632-G634 PolarHBondContact O-N 2.75Å; H632-G634 VanDerWaalsContact O-N 3.1Å; G634-A686 WeakPolarHBondContact O-CB 3.43Å; G634-V716 WeakPolarHBondContact CA-O 3.13Å; G634-K717 WeakPolarHBondContact O-CA 3.38Å; G634-L718 PolarHBondContact O-N 3.3Å
635	I	95.2	Very high	85.1	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.026	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-128.3	142.5	-179.5	-61.7	176.8	0	0	0	108.8	L630 H632 P633 N637 A686 L690 F721	L630-I635 HydrophobicContact CB-CD1 4.46Å; L630-I635 HydrophobicContact CB-CG2 4.38Å; L630-I635 HydrophobicContact CD1-CD1 4.37Å; L630-I635 HydrophobicContact CD1-CG2 4.42Å; L630-I635 HydrophobicContact CD2-CD1 4.1Å; H632-I635 HydrophobicContact CB-CB 4.41Å; H632-I635 HydrophobicContact CB-CD1 3.92Å; H632-I635 HydrophobicContact CB-CG1 4.13Å; H632-I635 PolarHBondContact O-N 2.63Å; P633-I635 VanDerWaalsContact C-N 3.33Å; P633-I635 PolarHBondContact O-N 3.27Å; I635-N637 PolarHBondContact O-N 2.84Å; I635-A686 HydrophobicContact CG1-CB 4.44Å; I635-L690 HydrophobicContact CD1-CD2 3.65Å; I635-L690 HydrophobicContact CD1-CG 4.06Å; I635-F721 HydrophobicContact CG2-CE2 3.92Å; I635-F721 HydrophobicContact CG2-CZ 3.79Å
636	V	92.6	Very high	84.9	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.03	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-60.8	126.4	177.1	67	0	0	0	0	111.6	L627 L638 M652 E653 L655 L718 C719	L627-V636 HydrophobicContact CD2-CG1 4.33Å; V636-L638 PolarHBondContact O-N 3.14Å; V636-M652 HydrophobicContact CG1-SD 4.35Å; V636-M652 HydrophobicContact CG2-CB 4.04Å; V636-M652 HydrophobicContact CG2-CG 4.38Å; V636-M652 HydrophobicContact CG2-SD 4.3Å; V636-E653 HydrophobicContact CG2-CG 3.88Å; V636-L655 HydrophobicContact CG2-CD2 4.06Å; V636-L718 WeakPolarHBondContact CG1-O 3.12Å; V636-L718 PolarHBondContact N-O 3.4Å; V636-C719 HydrophobicContact CB-CB 4.27Å; V636-C719 HydrophobicContact CG1-CB 3.89Å
637	N	89.3	Confident	84.7	Confident	77 Å²	77	35.5 Å²	35.5	41%	0.412	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-74.3	124.8	179.5	-172.4	42.6	0	0	0	111.7	I635 M652 E653	I635-N637 PolarHBondContact O-N 2.84Å; N637-M652 WeakPolarHBondContact O-CA 3.03Å; N637-E653 HydrophobicContact CB-CG 4.14Å; N637-E653 VanDerWaalsContact CB-OE1 3.24Å; N637-E653 WeakPolarHBondContact CB-OE1 3.27Å; N637-E653 PolarHBondContact N-OE1 3.43Å; N637-E653 PolarHBondContact O-N 3Å
638	L	88.2	Confident	84.7	Confident	11 Å²	11	35.3 Å²	35.3	6%	0.058	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.4	170.8	174.2	67.4	0	0	0	109.7	L627 Q628 V636 V650	L627-L638 HydrophobicContact CB-CB 4.15Å; L627-L638 HydrophobicContact CB-CD2 3.8Å; Q628-L638 HydrophobicContact CG-CD2 3.6Å; V636-L638 PolarHBondContact O-N 3.14Å; L638-V650 HydrophobicContact CD1-CG1 3.4Å; L638-V650 VanDerWaalsContact CD1-CG1 3.4Å
639	E	85.9	Confident	85	Confident	38 Å²	38	33 Å²	33	18%	0.178	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-51.7	179	-179.5	166.1	-173.8	0	0	111.5	Y574 H595 R600 V602 V651	Y574-E639 VanDerWaalsContact OH-CD 3.27Å; Y574-E639 PolarHBondContact OH-OE1 3.17Å; Y574-E639 VanDerWaalsContact OH-OE1 3.06Å; H595-E639 IonicContact CD2-OE1 2.7Å; R600-E639 IonicContact CZ-OE1 3.63Å; R600-E639 IonicContact CZ-OE2 3.42Å; R600-E639 IonicContact NH1-OE1 3.65Å; R600-E639 IonicContact NH1-OE2 3.99Å; R600-E639 PolarHBondContact NH1-OE2 2.85Å; R600-E639 IonicContact NH2-OE1 3.3Å; R600-E639 PolarHBondContact NH2-OE1 2.97Å; R600-E639 IonicContact NH2-OE2 3.2Å; R600-E639 PolarHBondContact NH2-OE2 2.96Å; V602-E639 WeakPolarHBondContact CG1-OE2 3.43Å; E639-V651 HydrophobicContact CB-CG1 4.25Å; E639-V651 WeakPolarHBondContact CB-O 3.32Å; E639-V651 PolarHBondContact N-O 2.97Å
640	C	84.7	Confident	85.2	Confident	8 Å²	8	27.9 Å²	27.9	5%	0.054	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	167.7	175.8	54.8	0	0	0	0	112.4	V559 Y574 F642 V651	V559-C640 HydrophobicContact CG1-CB 4.38Å; Y574-C640 PolarHBondContact OH-SG 2.68Å; C640-F642 VanDerWaalsContact SG-CE2 3.51Å; C640-V651 PolarHBondContact N-O 2.95Å; C640-V651 PolarHBondContact O-N 3.28Å
641	M	82.3	Confident	85.3	Confident	13 Å²	13	27.6 Å²	27.6	6%	0.064	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.2	168.4	-172.1	-166.8	73.4	0	0	110.9	V624 E643 V648 F649	V624-M641 HydrophobicContact CB-SD 4.31Å; V624-M641 HydrophobicContact CG1-SD 3.86Å; V624-M641 HydrophobicContact CG2-SD 3.64Å; M641-E643 HydrophobicContact CE-CB 4.16Å; M641-V648 HydrophobicContact CG-CG1 3.64Å; M641-V648 HydrophobicContact SD-CG1 3.55Å; M641-V648 VanDerWaalsContact SD-CG1 3.55Å; M641-F649 WeakPolarHBondContact CA-O 3.44Å
642	F	82.8	Confident	85.5	Confident	10 Å²	10	23.2 Å²	23.2	4%	0.044	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.4	164.8	-57.6	-98.9	0	0	0	110.2	I557 V568 I570 V573 Y574 C640 V648 F649 V651	I557-F642 HydrophobicContact CG1-CD1 4.26Å; V568-F642 WeakPolarHBondContact O-CD1 3.14Å; I570-F642 HydrophobicContact CB-CB 4.15Å; I570-F642 HydrophobicContact CB-CD1 3.9Å; I570-F642 HydrophobicContact CB-CD2 3.79Å; I570-F642 HydrophobicContact CB-CE1 4.2Å; I570-F642 HydrophobicContact CB-CE2 4.1Å; I570-F642 HydrophobicContact CB-CG 3.69Å; I570-F642 HydrophobicContact CB-CZ 4.3Å; I570-F642 HydrophobicContact CD1-CD2 3.68Å; I570-F642 HydrophobicContact CD1-CE2 4.15Å; I570-F642 HydrophobicContact CD1-CG 4.27Å; I570-F642 HydrophobicContact CG1-CD2 3.66Å; I570-F642 HydrophobicContact CG1-CE2 3.77Å; I570-F642 HydrophobicContact CG1-CG 4.11Å; I570-F642 HydrophobicContact CG1-CZ 4.31Å; V573-F642 HydrophobicContact CB-CZ 4.41Å; V573-F642 HydrophobicContact CG2-CZ 4.35Å; Y574-F642 AromaticContact CD2-CE2 3.85Å; Y574-F642 HydrophobicContact CD2-CE2 3.85Å; Y574-F642 HydrophobicContact CD2-CZ 4.13Å; Y574-F642 AromaticContact CE2-CE2 3.56Å; Y574-F642 HydrophobicContact CE2-CE2 3.56Å; Y574-F642 AromaticContact CE2-CZ 3.8Å; Y574-F642 HydrophobicContact CE2-CZ 3.8Å; C640-F642 VanDerWaalsContact SG-CE2 3.51Å; F642-V648 WeakPolarHBondContact O-CA 3.35Å; F642-F649 HydrophobicContact CB-CB 4.33Å; F642-F649 HydrophobicContact CB-CD2 4.49Å; F642-F649 PolarHBondContact N-O 2.7Å; F642-F649 PolarHBondContact O-N 2.8Å; F642-V651 HydrophobicContact CD2-CG2 4.26Å; F642-V651 HydrophobicContact CE2-CG2 4.17Å
643	E	78.8	Confident	85.4	Confident	28 Å²	28	23.5 Å²	23.5	13%	0.131	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.8	-179.9	177.9	173.7	-153.7	0	0	110.9	L555 S556 K609 M641 V648	L555-E643 WeakPolarHBondContact CA-O 3.38Å; S556-E643 WeakPolarHBondContact O-CB 3.27Å; S556-E643 PolarHBondContact O-N 3.49Å; S556-E643 PolarHBondContact OG-OE2 3.17Å; K609-E643 WeakPolarHBondContact CE-OE1 3.32Å; K609-E643 IonicContact NZ-OE1 2.86Å; K609-E643 PolarHBondContact NZ-OE1 2.97Å; M641-E643 HydrophobicContact CE-CB 4.16Å; E643-V648 HydrophobicContact CG-CG2 4.26Å
644	T	76.3	Confident	85.3	Confident	20 Å²	20	25.2 Å²	25.2	12%	0.123	13%	0.128	C	C	.	.			trans	-105.5	171.1	169.1	83.8	0	0	0	0	109.3	L555 K609 E646 R647 F649	L555-T644 HydrophobicContact CD2-CG2 3.89Å; K609-T644 WeakPolarHBondContact CE-O 3.49Å; K609-T644 PolarHBondContact NZ-O 3.09Å; T644-E646 WeakPolarHBondContact CB-OE2 3.37Å; T644-E646 PolarHBondContact O-N 3.4Å; T644-E646 PolarHBondContact OG1-N 3.39Å; T644-E646 PolarHBondContact OG1-OE2 2.82Å; T644-R647 PolarHBondContact N-O 2.88Å; T644-R647 VanDerWaalsContact O-O 3.1Å; T644-R647 PolarHBondContact OG1-N 2.59Å; T644-F649 HydrophobicContact CG2-CE2 3.93Å
645	P	73.6	Confident	85.1	Confident	77 Å²	77	26.3 Å²	26.3	50%	0.5	13%	0.134	S	C	.	.	S	Bend	trans	-57.3	-32.3	173.1	-24.5	35	0	0	0	113.4	K609	K609-P645 VanDerWaalsContact CD-O 3.29Å; K609-P645 WeakPolarHBondContact CD-O 3.44Å
646	E	73.8	Confident	84.9	Confident	85 Å²	85	31.8 Å²	31.8	40%	0.397	16%	0.159	S	C	.	.	S	Bend	trans	-99.1	-21.6	-175.1	-43	73.5	-163.3	0	0	113.6	K609 M610 T644	K609-E646 VanDerWaalsContact CB-O 3.24Å; K609-E646 WeakPolarHBondContact CB-O 3.48Å; K609-E646 PolarHBondContact N-O 3.19Å; M610-E646 HydrophobicContact CG-CB 4.47Å; T644-E646 WeakPolarHBondContact CB-OE2 3.37Å; T644-E646 PolarHBondContact O-N 3.4Å; T644-E646 PolarHBondContact OG1-N 3.39Å; T644-E646 PolarHBondContact OG1-OE2 2.82Å
647	R	78.3	Confident	84.8	Confident	29 Å²	29	32.3 Å²	32.3	11%	0.109	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	164.1	-167	-67	-164.8	168.3	166.3	-3.4	115	V534 I607 D608 T644 F649	V534-R647 VanDerWaalsContact C-NH1 3.34Å; V534-R647 PolarHBondContact O-NH1 2.89Å; I607-R647 CarbonylContact O-C 3.55Å; I607-R647 VanDerWaalsContact O-CA 3.24Å; I607-R647 WeakPolarHBondContact O-CA 3.41Å; I607-R647 WeakPolarHBondContact O-CB 3.44Å; D608-R647 IonicContact OD2-CZ 2.59Å; D608-R647 VanDerWaalsContact OD2-CZ 3.24Å; D608-R647 IonicContact OD2-NE 2.68Å; D608-R647 PolarHBondContact OD2-NE 3.17Å; D608-R647 IonicContact OD2-NH2 2.79Å; D608-R647 PolarHBondContact OD2-NH2 2.87Å; T644-R647 PolarHBondContact N-O 2.88Å; T644-R647 VanDerWaalsContact O-O 3.1Å; T644-R647 PolarHBondContact OG1-N 2.59Å; R647-F649 HydrophobicContact CB-CD2 4.48Å; R647-F649 HydrophobicContact CB-CE2 3.8Å; R647-F649 HydrophobicContact CB-CZ 4.25Å
648	V	79.8	Confident	84.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.6	165.8	-175.3	0	0	0	0	109.2	I607 K609 L620 M641 F642 E643 V650	I607-V648 HydrophobicContact CB-CB 4.38Å; I607-V648 PolarHBondContact N-O 3.41Å; I607-V648 PolarHBondContact O-N 3.27Å; K609-V648 HydrophobicContact CG-CG2 4.5Å; L620-V648 HydrophobicContact CD1-CB 3.85Å; L620-V648 HydrophobicContact CD1-CG1 4.21Å; L620-V648 HydrophobicContact CD1-CG2 3.7Å; L620-V648 HydrophobicContact CD2-CB 4.46Å; L620-V648 HydrophobicContact CD2-CG1 4.22Å; L620-V648 HydrophobicContact CD2-CG2 3.93Å; L620-V648 HydrophobicContact CG-CG2 4.49Å; M641-V648 HydrophobicContact CG-CG1 3.64Å; M641-V648 HydrophobicContact SD-CG1 3.55Å; M641-V648 VanDerWaalsContact SD-CG1 3.55Å; F642-V648 WeakPolarHBondContact O-CA 3.35Å; E643-V648 HydrophobicContact CG-CG2 4.26Å; V648-V650 HydrophobicContact CG1-CG2 4.22Å
649	F	85.4	Confident	85.1	Confident	5 Å²	5	30.2 Å²	30.2	2%	0.022	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.7	176.6	-57.5	-102	0	0	0	108	I570 I576 I604 V606 M641 F642 T644 R647	I570-F649 HydrophobicContact CD1-CB 3.45Å; I570-F649 VanDerWaalsContact CD1-CB 3.45Å; I570-F649 HydrophobicContact CD1-CD1 3.73Å; I570-F649 HydrophobicContact CD1-CD2 4.47Å; I570-F649 HydrophobicContact CD1-CG 3.66Å; I576-F649 HydrophobicContact CD1-CD1 3.83Å; I576-F649 HydrophobicContact CD1-CE1 3.67Å; I604-F649 HydrophobicContact CG2-CB 4.36Å; I604-F649 HydrophobicContact CG2-CD1 4.25Å; V606-F649 HydrophobicContact CB-CD1 4.48Å; V606-F649 HydrophobicContact CG1-CD1 4.19Å; V606-F649 HydrophobicContact CG1-CE1 3.88Å; V606-F649 HydrophobicContact CG1-CZ 4.42Å; V606-F649 HydrophobicContact CG2-CD1 3.78Å; V606-F649 HydrophobicContact CG2-CE1 3.98Å; M641-F649 WeakPolarHBondContact CA-O 3.44Å; F642-F649 HydrophobicContact CB-CB 4.33Å; F642-F649 HydrophobicContact CB-CD2 4.49Å; F642-F649 PolarHBondContact N-O 2.7Å; F642-F649 PolarHBondContact O-N 2.8Å; T644-F649 HydrophobicContact CG2-CE2 3.93Å; R647-F649 HydrophobicContact CB-CD2 4.48Å; R647-F649 HydrophobicContact CB-CE2 3.8Å; R647-F649 HydrophobicContact CB-CZ 4.25Å
650	V	84.9	Confident	85.1	Confident	1 Å²	1	29 Å²	29	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.8	174.7	-171	0	0	0	0	107.8	I604 K605 V624 L638 V648 M652	I604-V650 WeakPolarHBondContact CA-O 3.4Å; K605-V650 HydrophobicContact CB-CB 4.22Å; K605-V650 PolarHBondContact N-O 2.76Å; K605-V650 PolarHBondContact O-N 3.35Å; V624-V650 HydrophobicContact CG2-CG2 4.36Å; L638-V650 HydrophobicContact CD1-CG1 3.4Å; L638-V650 VanDerWaalsContact CD1-CG1 3.4Å; V648-V650 HydrophobicContact CG1-CG2 4.22Å; V650-M652 HydrophobicContact CG1-CG 4.33Å; V650-M652 HydrophobicContact CG1-SD 4.47Å
651	V	89.4	Confident	85.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125	-178.1	-173.5	0	0	0	0	109.3	I570 Y574 V602 I604 E639 C640 F642	I570-V651 HydrophobicContact CD1-CG2 4.3Å; Y574-V651 HydrophobicContact CD1-CG1 4.18Å; Y574-V651 HydrophobicContact CD2-CG2 4.44Å; Y574-V651 HydrophobicContact CE1-CG1 3.7Å; Y574-V651 HydrophobicContact CE2-CG1 4.48Å; Y574-V651 HydrophobicContact CE2-CG2 4.3Å; V602-V651 HydrophobicContact CB-CG1 4Å; V602-V651 HydrophobicContact CG1-CG1 4.06Å; V602-V651 HydrophobicContact CG2-CG1 4.24Å; I604-V651 HydrophobicContact CG1-CG1 4.37Å; I604-V651 HydrophobicContact CG1-CG2 4.36Å; E639-V651 HydrophobicContact CB-CG1 4.25Å; E639-V651 WeakPolarHBondContact CB-O 3.32Å; E639-V651 PolarHBondContact N-O 2.97Å; C640-V651 PolarHBondContact N-O 2.95Å; C640-V651 PolarHBondContact O-N 3.28Å; F642-V651 HydrophobicContact CD2-CG2 4.26Å; F642-V651 HydrophobicContact CE2-CG2 4.17Å
652	M	90.6	Very high	85.5	Confident	19 Å²	19	34 Å²	34	9%	0.094	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	164.6	-176.8	-64.9	168.4	-69.7	0	0	110	V602 A603 K605 V636 N637 V650	V602-M652 WeakPolarHBondContact CA-O 3.44Å; V602-M652 WeakPolarHBondContact CB-O 3.43Å; A603-M652 PolarHBondContact N-O 3.41Å; A603-M652 PolarHBondContact O-N 3.27Å; K605-M652 HydrophobicContact CB-CE 3.88Å; V636-M652 HydrophobicContact CG1-SD 4.35Å; V636-M652 HydrophobicContact CG2-CB 4.04Å; V636-M652 HydrophobicContact CG2-CG 4.38Å; V636-M652 HydrophobicContact CG2-SD 4.3Å; N637-M652 WeakPolarHBondContact O-CA 3.03Å; V650-M652 HydrophobicContact CG1-CG 4.33Å; V650-M652 HydrophobicContact CG1-SD 4.47Å
653	E	90.9	Very high	85.6	Confident	39 Å²	39	33.5 Å²	33.5	18%	0.182	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	148.4	165.3	59.6	176.8	135.5	0	0	111.8	V636 N637 L655 K717	V636-E653 HydrophobicContact CG2-CG 3.88Å; N637-E653 HydrophobicContact CB-CG 4.14Å; N637-E653 VanDerWaalsContact CB-OE1 3.24Å; N637-E653 WeakPolarHBondContact CB-OE1 3.27Å; N637-E653 PolarHBondContact N-OE1 3.43Å; N637-E653 PolarHBondContact O-N 3Å; E653-L655 HydrophobicContact CG-CD2 3.89Å; E653-L655 WeakPolarHBondContact O-CD2 3.47Å; E653-K717 VanDerWaalsContact OE1-CD 3.23Å; E653-K717 WeakPolarHBondContact OE1-CD 3.26Å; E653-K717 IonicContact OE1-NZ 3.61Å; E653-K717 PolarHBondContact OE1-NZ 2.68Å; E653-K717 IonicContact OE2-NZ 3.66Å; E653-K717 PolarHBondContact OE2-NZ 3.41Å
654	K	92.7	Very high	85.6	Confident	58 Å²	58	34.8 Å²	34.8	25%	0.252	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-93.4	123.8	175.7	-169.2	-177.6	179.6	-178.5	0	110	E580 L582 D601	E580-K654 WeakPolarHBondContact OE1-CE 3.23Å; E580-K654 IonicContact OE1-NZ 3.53Å; E580-K654 PolarHBondContact OE1-NZ 2.84Å; E580-K654 IonicContact OE2-NZ 3.18Å; L582-K654 HydrophobicContact CD1-CG 4.29Å; D601-K654 HydrophobicContact CB-CB 4.37Å; D601-K654 HydrophobicContact CB-CD 3.74Å; D601-K654 IonicContact OD2-NZ 3.68Å
655	L	92.8	Very high	85.9	Confident	25 Å²	25	38.2 Å²	38.2	13%	0.131	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-96.2	166.6	175	-67.7	-50.1	0	0	0	110.5	V636 E653 L706 L707 A708 K717	V636-L655 HydrophobicContact CG2-CD2 4.06Å; E653-L655 HydrophobicContact CG-CD2 3.89Å; E653-L655 WeakPolarHBondContact O-CD2 3.47Å; L655-L706 HydrophobicContact CB-CB 3.89Å; L655-L706 HydrophobicContact CB-CD1 4.19Å; L655-L706 HydrophobicContact CD2-CB 4.39Å; L655-L706 HydrophobicContact CD2-CD1 3.78Å; L655-L706 HydrophobicContact CG-CB 3.72Å; L655-L706 HydrophobicContact CG-CD1 3.99Å; L655-L707 WeakPolarHBondContact CB-O 3.46Å; L655-A708 HydrophobicContact CD1-CB 4.27Å; L655-K717 HydrophobicContact CD1-CD 4.23Å
656	H	90.6	Very high	86.5	Confident	120 Å²	120	36.2 Å²	36.2	56%	0.556	19%	0.19	S	C	*	.	S	Bend	trans	-73.9	-44.2	-176.9	177.9	59.5	0	0	0	112.8	L707 A710	H656-L707 WeakPolarHBondContact CB-O 3.37Å; H656-L707 PolarHBondContact N-O 3.37Å; H656-A710 PolarHBondContact CD2-N 2.92Å; H656-A710 WeakPolarHBondContact NE2-CB 3.46Å
657	G	89.4	Confident	86.9	Confident	16 Å²	16	41.3 Å²	41.3	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-165.6	-176.5	0	0	0	0	0	110.5	L706 L707	G657-L706 WeakPolarHBondContact O-CA 3.2Å; G657-L707 PolarHBondContact O-N 3.29Å
658	D	90.8	Very high	87.1	Confident	43 Å²	43	46 Å²	46	23%	0.23	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	166.9	-179.2	71.9	59.9	0	0	0	113.4	L660 E661 M662 L706	D658-L660 VanDerWaalsContact C-N 3.3Å; D658-L660 PolarHBondContact O-N 2.94Å; D658-L660 VanDerWaalsContact OD1-CA 3.27Å; D658-L660 WeakPolarHBondContact OD1-CA 3.45Å; D658-L660 VanDerWaalsContact OD1-CB 3.23Å; D658-L660 WeakPolarHBondContact OD1-CB 3.34Å; D658-L660 PolarHBondContact OD1-N 3.49Å; D658-E661 PolarHBondContact O-N 3.26Å; D658-E661 PolarHBondContact OD1-N 2.69Å; D658-M662 PolarHBondContact O-N 2.83Å; D658-M662 VanDerWaalsContact O-N 3.14Å; D658-L706 HydrophobicContact CB-CD2 3.86Å
659	M	93.1	Very high	87.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.1	-26	-178.1	-171.2	-178.2	-173.4	0	0	112.7	M662 I663 L671 M679 I683 P702 V705 I765 S769	M659-M662 PolarHBondContact O-N 3.31Å; M659-I663 HydrophobicContact CG-CD1 4.17Å; M659-I663 WeakPolarHBondContact O-CD1 3.39Å; M659-I663 WeakPolarHBondContact O-CG1 3.47Å; M659-I663 PolarHBondContact O-N 2.78Å; M659-L671 HydrophobicContact CE-CD1 3.97Å; M659-M679 HydrophobicContact CB-CE 4.26Å; M659-M679 HydrophobicContact CE-CB 4.02Å; M659-M679 HydrophobicContact CE-CE 4.1Å; M659-M679 HydrophobicContact CE-CG 4.48Å; M659-M679 HydrophobicContact CG-CE 3.75Å; M659-M679 HydrophobicContact SD-CE 3.98Å; M659-I683 HydrophobicContact SD-CD1 4.28Å; M659-P702 HydrophobicContact CB-CB 4Å; M659-P702 WeakPolarHBondContact CB-O 3.46Å; M659-P702 HydrophobicContact CG-CB 4.27Å; M659-P702 PolarHBondContact N-O 3.02Å; M659-V705 HydrophobicContact CB-CB 3.93Å; M659-V705 HydrophobicContact CB-CG1 3.94Å; M659-V705 HydrophobicContact CG-CG1 4.49Å; M659-V705 PolarHBondContact N-O 3.35Å; M659-V705 HydrophobicContact SD-CB 4.36Å; M659-V705 HydrophobicContact SD-CG1 3.91Å; M659-I765 HydrophobicContact CE-CG2 4.22Å; M659-I765 HydrophobicContact SD-CG2 4.04Å; M659-S769 VanDerWaalsContact CE-OG 3.22Å; M659-S769 WeakPolarHBondContact CE-OG 3.47Å
660	L	87.3	Confident	87.5	Confident	13 Å²	13	49.9 Å²	49.9	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-69.6	-41.4	174.1	-173.3	60.9	0	0	0	111	L400 V404 D658 M662 I663 L664 P702 E703	L400-L660 HydrophobicContact CD2-CD1 3.91Å; V404-L660 HydrophobicContact CG2-CD2 3.86Å; D658-L660 VanDerWaalsContact C-N 3.3Å; D658-L660 PolarHBondContact O-N 2.94Å; D658-L660 VanDerWaalsContact OD1-CA 3.27Å; D658-L660 WeakPolarHBondContact OD1-CA 3.45Å; D658-L660 VanDerWaalsContact OD1-CB 3.23Å; D658-L660 WeakPolarHBondContact OD1-CB 3.34Å; D658-L660 PolarHBondContact OD1-N 3.49Å; L660-M662 VanDerWaalsContact C-N 3.33Å; L660-I663 PolarHBondContact O-N 2.77Å; L660-L664 HydrophobicContact CD1-CD1 4.28Å; L660-L664 HydrophobicContact CD1-CG 4.38Å; L660-L664 HydrophobicContact CD2-CD1 4.44Å; L660-L664 HydrophobicContact CG-CD1 3.84Å; L660-L664 HydrophobicContact CG-CG 4.4Å; L660-L664 WeakPolarHBondContact O-CB 3.49Å; L660-L664 VanDerWaalsContact O-CG 3.26Å; L660-L664 WeakPolarHBondContact O-CG 3.27Å; L660-L664 PolarHBondContact O-N 3.44Å; L660-P702 HydrophobicContact CB-CB 4.02Å; L660-E703 HydrophobicContact CB-CG 4.11Å; L660-E703 HydrophobicContact CD2-CG 3.6Å; L660-E703 HydrophobicContact CG-CG 4.49Å
661	E	83.1	Confident	88	Confident	95 Å²	95	50.2 Å²	50.2	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-42.4	172.5	-176.5	165.2	-145.3	0	0	111.2	D658 I663 L664 S665	D658-E661 PolarHBondContact O-N 3.26Å; D658-E661 PolarHBondContact OD1-N 2.69Å; E661-I663 PolarHBondContact O-N 2.97Å; E661-L664 PolarHBondContact O-N 2.7Å; E661-S665 VanDerWaalsContact O-CB 3.25Å; E661-S665 WeakPolarHBondContact O-CB 3.33Å; E661-S665 PolarHBondContact O-N 2.89Å; E661-S665 PolarHBondContact O-OG 2.88Å; E661-S665 VanDerWaalsContact O-OG 3.07Å
662	M	90.7	Very high	88.3	Confident	30 Å²	30	53.8 Å²	53.8	15%	0.148	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-46.3	174.9	-162.9	-165.9	-167	0	0	112	D658 M659 L660 S665 S666 L671 I675 M679 L707	D658-M662 PolarHBondContact O-N 2.83Å; D658-M662 VanDerWaalsContact O-N 3.14Å; M659-M662 PolarHBondContact O-N 3.31Å; L660-M662 VanDerWaalsContact C-N 3.33Å; M662-S665 PolarHBondContact O-OG 3.1Å; M662-S665 VanDerWaalsContact O-OG 3.08Å; M662-S666 PolarHBondContact O-N 3.28Å; M662-L671 HydrophobicContact CG-CD2 4.04Å; M662-L671 HydrophobicContact SD-CD1 4.23Å; M662-L671 HydrophobicContact SD-CD2 4.17Å; M662-I675 HydrophobicContact CE-CG2 3.81Å; M662-I675 HydrophobicContact SD-CG2 4.43Å; M662-M679 HydrophobicContact SD-CE 4.03Å; M662-L707 HydrophobicContact CB-CD1 3.82Å; M662-L707 HydrophobicContact CG-CD1 4.13Å; M662-L707 HydrophobicContact SD-CD1 3.89Å
663	I	86.4	Confident	88.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-45.4	175.5	-68.9	160.8	0	0	0	110.9	L400 M659 L660 E661 S666 S669 R670 L671 P702 V768	L400-I663 HydrophobicContact CD1-CG2 3.58Å; M659-I663 HydrophobicContact CG-CD1 4.17Å; M659-I663 WeakPolarHBondContact O-CD1 3.39Å; M659-I663 WeakPolarHBondContact O-CG1 3.47Å; M659-I663 PolarHBondContact O-N 2.78Å; L660-I663 PolarHBondContact O-N 2.77Å; E661-I663 PolarHBondContact O-N 2.97Å; I663-S666 WeakPolarHBondContact O-CB 3.41Å; I663-S669 CarbonylContact O-C 3.05Å; I663-S669 VanDerWaalsContact O-CA 3.28Å; I663-S669 WeakPolarHBondContact O-CA 3.33Å; I663-R670 PolarHBondContact O-N 3.37Å; I663-L671 HydrophobicContact CG1-CD1 3.74Å; I663-L671 HydrophobicContact CG1-CG 3.81Å; I663-P702 HydrophobicContact CD1-CB 4.19Å; I663-P702 HydrophobicContact CD1-CG 4.31Å; I663-V768 HydrophobicContact CD1-CG1 4.48Å
664	L	77.8	Confident	88.9	Confident	55 Å²	55	58.3 Å²	58.3	29%	0.288	30%	0.297	S	S	.	.	H	α-helix	trans	-71.2	-33.7	-177.5	-76	168.7	0	0	0	114.1	L400 V404 L660 E661 S666	L400-L664 HydrophobicContact CB-CD2 3.81Å; L400-L664 HydrophobicContact CD1-CD2 4.16Å; L400-L664 HydrophobicContact CD2-CD2 3.99Å; L400-L664 HydrophobicContact CG-CD2 4.21Å; V404-L664 HydrophobicContact CG2-CD1 3.97Å; L660-L664 HydrophobicContact CD1-CD1 4.28Å; L660-L664 HydrophobicContact CD1-CG 4.38Å; L660-L664 HydrophobicContact CD2-CD1 4.44Å; L660-L664 HydrophobicContact CG-CD1 3.84Å; L660-L664 HydrophobicContact CG-CG 4.4Å; L660-L664 WeakPolarHBondContact O-CB 3.49Å; L660-L664 VanDerWaalsContact O-CG 3.26Å; L660-L664 WeakPolarHBondContact O-CG 3.27Å; L660-L664 PolarHBondContact O-N 3.44Å; E661-L664 PolarHBondContact O-N 2.7Å; L664-S666 VanDerWaalsContact C-N 3.35Å
665	S	82.6	Confident	89.2	Confident	93 Å²	93	56.8 Å²	56.8	65%	0.65	29%	0.292	S	S	*	.	H	α-helix	trans	-78	-18.1	179.5	70	0	0	0	0	113.8	E661 M662	E661-S665 VanDerWaalsContact O-CB 3.25Å; E661-S665 WeakPolarHBondContact O-CB 3.33Å; E661-S665 PolarHBondContact O-N 2.89Å; E661-S665 PolarHBondContact O-OG 2.88Å; E661-S665 VanDerWaalsContact O-OG 3.07Å; M662-S665 PolarHBondContact O-OG 3.1Å; M662-S665 VanDerWaalsContact O-OG 3.08Å
666	S	86.1	Confident	89.4	Confident	34 Å²	34	55.6 Å²	55.6	24%	0.238	29%	0.286	C	S	.	.	S	Bend	trans	-59.3	139.3	172.1	175.9	0	0	0	0	111	M662 I663 L664 K668 S669 R670	M662-S666 PolarHBondContact O-N 3.28Å; I663-S666 WeakPolarHBondContact O-CB 3.41Å; L664-S666 VanDerWaalsContact C-N 3.35Å; S666-K668 PolarHBondContact O-N 3.39Å; S666-K668 VanDerWaalsContact O-N 3.12Å; S666-S669 WeakPolarHBondContact O-CA 3.37Å; S666-S669 PolarHBondContact O-N 3.5Å; S666-R670 WeakPolarHBondContact CB-O 3.29Å; S666-R670 PolarHBondContact OG-O 2.96Å
667	E	82.5	Confident	89.8	Confident	192 Å²	192	51.1 Å²	51.1	90%	0.897	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-36.8	179.2	-177.7	-174.3	-151.1	0	0	112.9
668	K	81.4	Confident	90.2	Very high	128 Å²	128	50.4 Å²	50.4	56%	0.557	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	5.2	179.5	-63.2	-174	179.1	-176.4	0	113.4	S666 R670	S666-K668 PolarHBondContact O-N 3.39Å; S666-K668 VanDerWaalsContact O-N 3.12Å; K668-R670 HydrophobicContact CB-CG 3.86Å; K668-R670 PolarHBondContact O-N 3.11Å
669	S	83.6	Confident	90.6	Very high	48 Å²	48	48.3 Å²	48.3	34%	0.336	25%	0.246	S	C	.	.	S	Bend	trans	48.6	33.3	-168.6	-56.2	0	0	0	0	114	L400 I663 S666 G772	L400-S669 VanDerWaalsContact CD1-O 3.25Å; L400-S669 WeakPolarHBondContact CD1-O 3.41Å; I663-S669 CarbonylContact O-C 3.05Å; I663-S669 VanDerWaalsContact O-CA 3.28Å; I663-S669 WeakPolarHBondContact O-CA 3.33Å; S666-S669 WeakPolarHBondContact O-CA 3.37Å; S666-S669 PolarHBondContact O-N 3.5Å; S669-G772 VanDerWaalsContact O-CA 3.23Å; S669-G772 WeakPolarHBondContact O-CA 3.41Å
670	R	90.7	Very high	90.8	Very high	38 Å²	38	48.3 Å²	48.3	14%	0.143	25%	0.246	C	C	.	.	S	Bend	trans	-155.3	153.5	178	69.2	-164.2	-179.1	92.1	-5	109.7	I663 S666 K668 S769 L770 E800	I663-R670 PolarHBondContact O-N 3.37Å; S666-R670 WeakPolarHBondContact CB-O 3.29Å; S666-R670 PolarHBondContact OG-O 2.96Å; K668-R670 HydrophobicContact CB-CG 3.86Å; K668-R670 PolarHBondContact O-N 3.11Å; R670-S769 CarbonylContact C-O 3.36Å; R670-S769 WeakPolarHBondContact CA-O 3.42Å; R670-S769 WeakPolarHBondContact CB-O 3.24Å; R670-L770 WeakPolarHBondContact CD-O 3.45Å; R670-L770 PolarHBondContact NH1-O 2.96Å; R670-E800 IonicContact CZ-OE2 2.9Å; R670-E800 IonicContact NH2-OE2 2.66Å; R670-E800 PolarHBondContact NH2-OE2 3.41Å
671	L	95.4	Very high	91.4	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.042	25%	0.246	C	C	.	.			trans	-90.7	146.4	-179.4	-62.6	177.9	0	0	0	111.1	M659 M662 I663 I675 T676 S769	M659-L671 HydrophobicContact CE-CD1 3.97Å; M662-L671 HydrophobicContact CG-CD2 4.04Å; M662-L671 HydrophobicContact SD-CD1 4.23Å; M662-L671 HydrophobicContact SD-CD2 4.17Å; I663-L671 HydrophobicContact CG1-CD1 3.74Å; I663-L671 HydrophobicContact CG1-CG 3.81Å; L671-I675 HydrophobicContact CD1-CG2 4.37Å; L671-T676 WeakPolarHBondContact CB-OG1 3.44Å; L671-S769 PolarHBondContact N-O 2.82Å
672	P	96.3	Very high	92.1	Very high	75 Å²	75	43.7 Å²	43.7	49%	0.487	23%	0.225	S	C	.	.			trans	-60.6	154.7	166.5	-19.9	32.3	0	0	0	111.5	R674 I675 T676	P672-R674 PolarHBondContact O-N 3.49Å; P672-I675 HydrophobicContact CG-CD1 4.35Å; P672-I675 PolarHBondContact O-N 3.43Å; P672-T676 PolarHBondContact O-N 2.87Å; P672-T676 PolarHBondContact O-OG1 3.49Å
673	E	97.3	Very high	92.5	Very high	42 Å²	42	42.3 Å²	42.3	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-45.7	177.2	-78	-173.2	-124.4	0	0	112.4	I675 T676 K677 L770 I801 S802 W831	E673-I675 VanDerWaalsContact C-N 3.32Å; E673-I675 PolarHBondContact O-N 3.36Å; E673-T676 CarbonylContact O-C 3.58Å; E673-T676 PolarHBondContact O-N 3.13Å; E673-K677 VanDerWaalsContact O-CG 3.32Å; E673-K677 WeakPolarHBondContact O-CG 3.23Å; E673-K677 PolarHBondContact O-N 3.26Å; E673-L770 HydrophobicContact CB-CD2 4.37Å; E673-L770 HydrophobicContact CG-CD1 4.5Å; E673-L770 HydrophobicContact CG-CD2 3.64Å; E673-I801 WeakPolarHBondContact OE1-CA 3.29Å; E673-S802 PolarHBondContact OE1-N 3.45Å; E673-S802 WeakPolarHBondContact OE2-CB 3.33Å; E673-S802 PolarHBondContact OE2-OG 2.7Å; E673-W831 HydrophobicContact CB-CZ2 4.45Å; E673-W831 HydrophobicContact CG-CZ2 4.29Å; E673-W831 PolarHBondContact OE2-NE1 2.77Å
674	R	97.2	Very high	93	Very high	111 Å²	111	42.3 Å²	42.3	42%	0.419	22%	0.218	S	C	.	.	H	α-helix	trans	-52.5	-45.8	179.4	-176.4	176.7	172.1	-173.7	-4.5	113.2	P672 F678 F713 Q836 D840	P672-R674 PolarHBondContact O-N 3.49Å; R674-F678 PolarHBondContact O-N 3.21Å; R674-F713 HydrophobicContact CG-CE1 4.18Å; R674-F713 HydrophobicContact CG-CZ 4.12Å; R674-Q836 HydrophobicContact CG-CG 4.46Å; R674-D840 VanDerWaalsContact CG-OD2 3.25Å; R674-D840 WeakPolarHBondContact CG-OD2 3.42Å; R674-D840 IonicContact CZ-OD1 3.82Å; R674-D840 IonicContact CZ-OD2 3.52Å; R674-D840 IonicContact NE-OD1 2.81Å; R674-D840 PolarHBondContact NE-OD1 2.82Å; R674-D840 IonicContact NE-OD2 3.56Å; R674-D840 PolarHBondContact NE-OD2 2.88Å; R674-D840 IonicContact NH2-OD1 3.78Å; R674-D840 PolarHBondContact NH2-OD1 3.28Å; R674-D840 IonicContact NH2-OD2 3.34Å
675	I	97.5	Very high	94	Very high	26 Å²	26	39.9 Å²	39.9	13%	0.133	21%	0.205	C	C	.	.	H	α-helix	trans	-69.1	-45.3	176.3	-62.1	-177.5	0	0	0	110	M662 L671 P672 E673 K677 F678 M679 P712 F713	M662-I675 HydrophobicContact CE-CG2 3.81Å; M662-I675 HydrophobicContact SD-CG2 4.43Å; L671-I675 HydrophobicContact CD1-CG2 4.37Å; P672-I675 HydrophobicContact CG-CD1 4.35Å; P672-I675 PolarHBondContact O-N 3.43Å; E673-I675 VanDerWaalsContact C-N 3.32Å; E673-I675 PolarHBondContact O-N 3.36Å; I675-K677 PolarHBondContact O-N 3.07Å; I675-F678 PolarHBondContact O-N 2.96Å; I675-M679 HydrophobicContact CG2-CG 4.07Å; I675-M679 WeakPolarHBondContact O-CB 3.44Å; I675-M679 WeakPolarHBondContact O-CG 3.37Å; I675-M679 PolarHBondContact O-N 3.35Å; I675-P712 HydrophobicContact CD1-CB 4.13Å; I675-F713 HydrophobicContact CG1-CE1 4.38Å; I675-F713 HydrophobicContact CG1-CZ 4.38Å
676	T	98	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-42.1	-179.9	-48.2	0	0	0	0	112.3	L671 P672 E673 M679 V680 L770 W831	L671-T676 WeakPolarHBondContact CB-OG1 3.44Å; P672-T676 PolarHBondContact O-N 2.87Å; P672-T676 PolarHBondContact O-OG1 3.49Å; E673-T676 CarbonylContact O-C 3.58Å; E673-T676 PolarHBondContact O-N 3.13Å; T676-M679 PolarHBondContact O-N 2.91Å; T676-V680 HydrophobicContact CG2-CG2 4.05Å; T676-V680 VanDerWaalsContact O-CB 3.26Å; T676-V680 WeakPolarHBondContact O-CB 3.45Å; T676-V680 WeakPolarHBondContact O-CG2 3.49Å; T676-V680 PolarHBondContact O-N 3.34Å; T676-L770 HydrophobicContact CG2-CD2 3.96Å; T676-L770 HydrophobicContact CG2-CG 4.17Å; T676-L770 WeakPolarHBondContact OG1-CD2 3.42Å; T676-W831 HydrophobicContact CG2-CH2 3.93Å
677	K	98.4	Very high	95.3	Very high	27 Å²	27	33.9 Å²	33.9	12%	0.117	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-54.5	175.1	-70	-179.5	-176.1	-149.1	0	111.4	E673 I675 M679 V680 T681 W831 L832 D834 T837	E673-K677 VanDerWaalsContact O-CG 3.32Å; E673-K677 WeakPolarHBondContact O-CG 3.23Å; E673-K677 PolarHBondContact O-N 3.26Å; I675-K677 PolarHBondContact O-N 3.07Å; K677-M679 VanDerWaalsContact C-N 3.31Å; K677-M679 PolarHBondContact O-N 2.89Å; K677-V680 PolarHBondContact O-N 3.22Å; K677-T681 PolarHBondContact O-N 2.8Å; K677-T681 PolarHBondContact O-OG1 3.43Å; K677-T681 VanDerWaalsContact O-OG1 3.07Å; K677-W831 WeakPolarHBondContact CD-O 3.34Å; K677-W831 WeakPolarHBondContact CE-O 3.45Å; K677-W831 HydrophobicContact CG-CD2 3.94Å; K677-W831 HydrophobicContact CG-CE3 4.11Å; K677-W831 HydrophobicContact CG-CH2 3.89Å; K677-W831 HydrophobicContact CG-CZ2 3.65Å; K677-W831 HydrophobicContact CG-CZ3 4.1Å; K677-W831 PolarHBondContact NZ-O 2.87Å; K677-L832 HydrophobicContact CB-CD2 3.89Å; K677-L832 HydrophobicContact CG-CD2 4.04Å; K677-D834 WeakPolarHBondContact CD-OD2 3.35Å; K677-D834 IonicContact NZ-OD2 2.67Å; K677-D834 PolarHBondContact NZ-OD2 3.37Å; K677-T837 HydrophobicContact CB-CG2 4.11Å; K677-T837 WeakPolarHBondContact CD-OG1 3.5Å
678	F	98.3	Very high	95.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-54.4	-45.4	178.6	172.4	-90	0	0	0	112.4	R674 I675 Q682 F713 P714 D840 L841 F844	R674-F678 PolarHBondContact O-N 3.21Å; I675-F678 PolarHBondContact O-N 2.96Å; F678-Q682 PolarHBondContact O-N 3.06Å; F678-F713 HydrophobicContact CB-CD1 4.12Å; F678-F713 HydrophobicContact CB-CE1 4.34Å; F678-F713 HydrophobicContact CD1-CB 4.32Å; F678-F713 AromaticContact CD1-CD1 3.83Å; F678-F713 HydrophobicContact CD1-CD1 3.83Å; F678-F713 AromaticContact CD2-CD1 3.79Å; F678-F713 HydrophobicContact CD2-CD1 3.79Å; F678-F713 VanDerWaalsContact CE1-C 3.45Å; F678-F713 VanDerWaalsContact CE1-CA 3.47Å; F678-F713 HydrophobicContact CE1-CB 3.78Å; F678-F713 HydrophobicContact CE1-CD1 4.14Å; F678-F713 HydrophobicContact CE1-CG 4.48Å; F678-F713 HydrophobicContact CE2-CB 4.12Å; F678-F713 HydrophobicContact CE2-CD1 4.11Å; F678-F713 AromaticContact CG-CD1 3.66Å; F678-F713 HydrophobicContact CG-CD1 3.66Å; F678-F713 HydrophobicContact CG-CE1 4.34Å; F678-F713 HydrophobicContact CZ-CB 3.68Å; F678-F713 HydrophobicContact CZ-CD1 4.29Å; F678-P714 WeakPolarHBondContact CE1-O 3.27Å; F678-D840 HydrophobicContact CD2-CB 3.91Å; F678-D840 HydrophobicContact CE2-CB 4.46Å; F678-D840 WeakPolarHBondContact CE2-O 3.4Å; F678-L841 HydrophobicContact CD2-CD2 3.45Å; F678-L841 VanDerWaalsContact CD2-CD2 3.45Å; F678-L841 HydrophobicContact CD2-CG 4.02Å; F678-L841 HydrophobicContact CE2-CD2 3.72Å; F678-L841 HydrophobicContact CE2-CG 4.46Å; F678-L841 HydrophobicContact CG-CD2 4.22Å; F678-F844 HydrophobicContact CE2-CB 3.72Å; F678-F844 HydrophobicContact CE2-CG 4.07Å; F678-F844 HydrophobicContact CZ-CB 3.88Å; F678-F844 HydrophobicContact CZ-CD1 4.39Å; F678-F844 AromaticContact CZ-CD2 3.97Å; F678-F844 HydrophobicContact CZ-CD2 3.97Å; F678-F844 AromaticContact CZ-CG 3.8Å; F678-F844 HydrophobicContact CZ-CG 3.8Å
679	M	98.3	Very high	96.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.4	-46	177.9	-63.4	-80.2	-73.6	0	0	111.9	M659 M662 I675 T676 K677 Q682 I683 L707 P714 V716	M659-M679 HydrophobicContact CB-CE 4.26Å; M659-M679 HydrophobicContact CE-CB 4.02Å; M659-M679 HydrophobicContact CE-CE 4.1Å; M659-M679 HydrophobicContact CE-CG 4.48Å; M659-M679 HydrophobicContact CG-CE 3.75Å; M659-M679 HydrophobicContact SD-CE 3.98Å; M662-M679 HydrophobicContact SD-CE 4.03Å; I675-M679 HydrophobicContact CG2-CG 4.07Å; I675-M679 WeakPolarHBondContact O-CB 3.44Å; I675-M679 WeakPolarHBondContact O-CG 3.37Å; I675-M679 PolarHBondContact O-N 3.35Å; T676-M679 PolarHBondContact O-N 2.91Å; K677-M679 VanDerWaalsContact C-N 3.31Å; K677-M679 PolarHBondContact O-N 2.89Å; M679-Q682 PolarHBondContact O-N 2.83Å; M679-I683 WeakPolarHBondContact O-CG1 3.28Å; M679-I683 PolarHBondContact O-N 3.13Å; M679-L707 HydrophobicContact CE-CD2 3.31Å; M679-L707 HydrophobicContact SD-CD2 4.23Å; M679-P714 HydrophobicContact SD-CG 4Å; M679-V716 HydrophobicContact CB-CG2 4.47Å; M679-V716 HydrophobicContact CE-CG2 3.84Å; M679-V716 HydrophobicContact SD-CG2 3.41Å; M679-V716 WeakPolarHBondContact SD-CG2 3.31Å
680	V	98.5	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.8	-36	-178	169.3	0	0	0	0	111.8	T676 K677 Q682 I683 L684 V762 V766 L832	T676-V680 HydrophobicContact CG2-CG2 4.05Å; T676-V680 VanDerWaalsContact O-CB 3.26Å; T676-V680 WeakPolarHBondContact O-CB 3.45Å; T676-V680 WeakPolarHBondContact O-CG2 3.49Å; T676-V680 PolarHBondContact O-N 3.34Å; K677-V680 PolarHBondContact O-N 3.22Å; V680-Q682 PolarHBondContact O-N 3.14Å; V680-I683 PolarHBondContact O-N 2.92Å; V680-L684 HydrophobicContact CG1-CD1 3.92Å; V680-L684 HydrophobicContact CG1-CG 4.3Å; V680-L684 WeakPolarHBondContact O-CB 3.19Å; V680-L684 VanDerWaalsContact O-CG 3.29Å; V680-L684 WeakPolarHBondContact O-CG 3.36Å; V680-L684 PolarHBondContact O-N 3.09Å; V680-V762 HydrophobicContact CG1-CG1 4.19Å; V680-V766 HydrophobicContact CG1-CG2 4.07Å; V680-V766 HydrophobicContact CG2-CG2 3.75Å; V680-L832 HydrophobicContact CG1-CD1 4.31Å
681	T	98.6	Very high	97.3	Very high	11 Å²	11	22 Å²	22	7%	0.067	10%	0.103	C	C	.	.	H	α-helix	trans	-61.7	-42.5	173.1	-58.5	0	0	0	0	111.4	K677 L684 V685 L827 L841 I853	K677-T681 PolarHBondContact O-N 2.8Å; K677-T681 PolarHBondContact O-OG1 3.43Å; K677-T681 VanDerWaalsContact O-OG1 3.07Å; T681-L684 PolarHBondContact O-N 3.1Å; T681-V685 WeakPolarHBondContact O-CG2 3.47Å; T681-V685 PolarHBondContact O-N 3.43Å; T681-L827 HydrophobicContact CG2-CD2 3.94Å; T681-L841 HydrophobicContact CG2-CD1 3.74Å; T681-I853 HydrophobicContact CG2-CG2 3.73Å
682	Q	98.4	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-44	174.1	-71.8	-173.4	71.1	0	0	112.5	F678 M679 V680 L684 V685 A686 P714 V716 Y852 I853	F678-Q682 PolarHBondContact O-N 3.06Å; M679-Q682 PolarHBondContact O-N 2.83Å; V680-Q682 PolarHBondContact O-N 3.14Å; Q682-L684 VanDerWaalsContact C-N 3.33Å; Q682-L684 PolarHBondContact O-N 3.44Å; Q682-V685 PolarHBondContact O-N 2.87Å; Q682-A686 PolarHBondContact O-N 3.49Å; Q682-P714 PolarHBondContact NE2-O 3.36Å; Q682-V716 HydrophobicContact CB-CB 3.84Å; Q682-V716 HydrophobicContact CB-CG1 4.48Å; Q682-V716 HydrophobicContact CB-CG2 4.19Å; Q682-Y852 PolarHBondContact OE1-OH 3.28Å; Q682-I853 HydrophobicContact CG-CD1 3.71Å
683	I	98.6	Very high	96.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-47	175.1	-66.1	167.3	0	0	0	110.5	M659 M679 V680 A686 L687 L700 V705 V716 L718 V762 I765	M659-I683 HydrophobicContact SD-CD1 4.28Å; M679-I683 WeakPolarHBondContact O-CG1 3.28Å; M679-I683 PolarHBondContact O-N 3.13Å; V680-I683 PolarHBondContact O-N 2.92Å; I683-A686 PolarHBondContact O-N 3.16Å; I683-L687 HydrophobicContact CG2-CD1 4.08Å; I683-L687 HydrophobicContact CG2-CG 4.42Å; I683-L687 WeakPolarHBondContact O-CG 3.45Å; I683-L687 PolarHBondContact O-N 3.02Å; I683-L700 HydrophobicContact CG2-CD2 4.15Å; I683-V705 HydrophobicContact CD1-CG1 3.94Å; I683-V705 HydrophobicContact CD1-CG2 4.06Å; I683-V705 HydrophobicContact CG1-CG1 4.14Å; I683-V705 HydrophobicContact CG1-CG2 4.42Å; I683-V716 HydrophobicContact CG1-CG1 3.95Å; I683-L718 HydrophobicContact CG1-CD2 4.37Å; I683-L718 HydrophobicContact CG2-CD2 4.41Å; I683-V762 HydrophobicContact CG2-CG2 4.02Å; I683-I765 HydrophobicContact CD1-CG2 4.29Å
684	L	98.6	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-41.4	179	-73.8	170	0	0	0	112.1	V680 T681 Q682 L687 R688 M759 V762 V823 L827 L832	V680-L684 HydrophobicContact CG1-CD1 3.92Å; V680-L684 HydrophobicContact CG1-CG 4.3Å; V680-L684 WeakPolarHBondContact O-CB 3.19Å; V680-L684 VanDerWaalsContact O-CG 3.29Å; V680-L684 WeakPolarHBondContact O-CG 3.36Å; V680-L684 PolarHBondContact O-N 3.09Å; T681-L684 PolarHBondContact O-N 3.1Å; Q682-L684 VanDerWaalsContact C-N 3.33Å; Q682-L684 PolarHBondContact O-N 3.44Å; L684-L687 PolarHBondContact O-N 2.98Å; L684-R688 PolarHBondContact O-N 3.49Å; L684-M759 HydrophobicContact CD2-CE 3.66Å; L684-M759 HydrophobicContact CD2-SD 4.27Å; L684-V762 HydrophobicContact CD2-CG1 4.37Å; L684-V823 HydrophobicContact CB-CG1 4.29Å; L684-V823 HydrophobicContact CD2-CG1 4.41Å; L684-V823 WeakPolarHBondContact O-CG1 3.1Å; L684-L827 HydrophobicContact CB-CD1 4.48Å; L684-L827 HydrophobicContact CB-CD2 3.62Å; L684-L827 HydrophobicContact CB-CG 3.92Å; L684-L827 HydrophobicContact CD1-CD2 4.01Å; L684-L827 HydrophobicContact CD1-CG 4.25Å; L684-L827 HydrophobicContact CG-CD2 4.48Å; L684-L832 HydrophobicContact CD1-CD1 3.5Å; L684-L832 VanDerWaalsContact CD1-CD1 3.5Å
685	V	98	Very high	96.1	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-38.1	175.9	168.9	0	0	0	0	112	T681 Q682 R688 N689 L827 Y852 I853	T681-V685 WeakPolarHBondContact O-CG2 3.47Å; T681-V685 PolarHBondContact O-N 3.43Å; Q682-V685 PolarHBondContact O-N 2.87Å; V685-R688 VanDerWaalsContact O-CB 3.28Å; V685-R688 WeakPolarHBondContact O-CB 3.15Å; V685-R688 PolarHBondContact O-N 3.24Å; V685-N689 PolarHBondContact O-N 3.24Å; V685-L827 HydrophobicContact CG2-CD1 4.32Å; V685-L827 HydrophobicContact CG2-CD2 4.18Å; V685-Y852 HydrophobicContact CG1-CD2 4.15Å; V685-Y852 WeakPolarHBondContact CG1-O 3.44Å; V685-I853 HydrophobicContact CG2-CG2 3.97Å
686	A	97.6	Very high	95.8	Very high	1 Å²	1	26 Å²	26	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-44.1	171.8	0	0	0	0	0	112.5	G634 I635 Q682 I683 R688 N689 L690 L718	G634-A686 WeakPolarHBondContact O-CB 3.43Å; I635-A686 HydrophobicContact CG1-CB 4.44Å; Q682-A686 PolarHBondContact O-N 3.49Å; I683-A686 PolarHBondContact O-N 3.16Å; A686-R688 VanDerWaalsContact C-N 3.29Å; A686-R688 PolarHBondContact O-N 2.83Å; A686-N689 WeakPolarHBondContact O-CB 3.14Å; A686-N689 PolarHBondContact O-N 3.35Å; A686-L690 PolarHBondContact O-N 2.88Å; A686-L718 HydrophobicContact CB-CD1 3.7Å; A686-L718 HydrophobicContact CB-CG 3.98Å
687	L	97.8	Very high	95.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.5	-34.9	173.3	-70.9	175.3	0	0	0	112.2	I683 L684 N689 L690 H691 L700 L718 D758 M759 V762 V823	I683-L687 HydrophobicContact CG2-CD1 4.08Å; I683-L687 HydrophobicContact CG2-CG 4.42Å; I683-L687 WeakPolarHBondContact O-CG 3.45Å; I683-L687 PolarHBondContact O-N 3.02Å; L684-L687 PolarHBondContact O-N 2.98Å; L687-N689 VanDerWaalsContact C-N 3.31Å; L687-N689 PolarHBondContact O-N 3.38Å; L687-L690 HydrophobicContact CD2-CD1 4.35Å; L687-L690 PolarHBondContact O-N 2.93Å; L687-H691 VanDerWaalsContact O-CB 3.23Å; L687-H691 WeakPolarHBondContact O-CB 3.42Å; L687-H691 PolarHBondContact O-CD2 3.2Å; L687-H691 VanDerWaalsContact O-CG 3.25Å; L687-H691 PolarHBondContact O-N 3.17Å; L687-L700 HydrophobicContact CD1-CD2 3.94Å; L687-L700 HydrophobicContact CD2-CD1 4.39Å; L687-L700 HydrophobicContact CD2-CD2 4.3Å; L687-L718 HydrophobicContact CD2-CD1 4.23Å; L687-L718 HydrophobicContact CG-CD1 4.41Å; L687-D758 HydrophobicContact CD1-CB 4.29Å; L687-D758 HydrophobicContact CD2-CB 3.87Å; L687-M759 HydrophobicContact CD1-SD 4.48Å; L687-V762 HydrophobicContact CD1-CG2 3.52Å; L687-V823 HydrophobicContact CB-CG2 3.94Å
688	R	96.6	Very high	94.9	Very high	104 Å²	104	24.9 Å²	24.9	39%	0.392	11%	0.113	S	C	.	.	H	α-helix	trans	-56	-46	174.6	-162.9	168.8	57.8	-177.4	-3.6	111.1	L684 V685 A686 F692 V823	L684-R688 PolarHBondContact O-N 3.49Å; V685-R688 VanDerWaalsContact O-CB 3.28Å; V685-R688 WeakPolarHBondContact O-CB 3.15Å; V685-R688 PolarHBondContact O-N 3.24Å; A686-R688 VanDerWaalsContact C-N 3.29Å; A686-R688 PolarHBondContact O-N 2.83Å; R688-F692 VanDerWaalsContact O-CB 3.24Å; R688-F692 WeakPolarHBondContact O-CB 3.29Å; R688-F692 PolarHBondContact O-N 2.78Å; R688-V823 HydrophobicContact CB-CG1 3.79Å; R688-V823 HydrophobicContact CG-CG1 4.26Å
689	N	95	Very high	94.4	Very high	40 Å²	40	25 Å²	25	21%	0.214	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-48.4	178.1	-167.4	-74.3	0	0	0	111.8	H632 V685 A686 L687 F692 K693	H632-N689 PolarHBondContact CD2-ND2 3.36Å; V685-N689 PolarHBondContact O-N 3.24Å; A686-N689 WeakPolarHBondContact O-CB 3.14Å; A686-N689 PolarHBondContact O-N 3.35Å; L687-N689 VanDerWaalsContact C-N 3.31Å; L687-N689 PolarHBondContact O-N 3.38Å; N689-F692 PolarHBondContact O-N 2.92Å; N689-K693 WeakPolarHBondContact O-CG 3.49Å; N689-K693 PolarHBondContact O-N 2.91Å; N689-K693 VanDerWaalsContact O-N 3.09Å; N689-K693 WeakPolarHBondContact OD1-CD 3.36Å; N689-K693 VanDerWaalsContact OD1-CE 3.24Å; N689-K693 WeakPolarHBondContact OD1-CE 3.18Å
690	L	94.7	Very high	94.1	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59	-51.5	176.8	-66.2	-177.5	0	0	0	111.8	L630 I635 A686 L687 F692 K693 N694 I695 L718 F721	L630-L690 HydrophobicContact CD1-CD2 3.59Å; L630-L690 HydrophobicContact CD2-CD2 3.54Å; L630-L690 HydrophobicContact CG-CD2 4.23Å; I635-L690 HydrophobicContact CD1-CD2 3.65Å; I635-L690 HydrophobicContact CD1-CG 4.06Å; A686-L690 PolarHBondContact O-N 2.88Å; L687-L690 HydrophobicContact CD2-CD1 4.35Å; L687-L690 PolarHBondContact O-N 2.93Å; L690-F692 VanDerWaalsContact C-N 3.33Å; L690-F692 PolarHBondContact O-N 3.1Å; L690-K693 CarbonylContact O-C 3.56Å; L690-K693 WeakPolarHBondContact O-CA 3.29Å; L690-K693 PolarHBondContact O-N 3.18Å; L690-K693 VanDerWaalsContact O-N 3.12Å; L690-N694 PolarHBondContact O-N 3.2Å; L690-I695 CarbonylContact C-O 3.49Å; L690-I695 HydrophobicContact CB-CB 4.29Å; L690-I695 HydrophobicContact CB-CG2 4.48Å; L690-I695 HydrophobicContact CD2-CB 4.32Å; L690-I695 HydrophobicContact CD2-CG2 4.06Å; L690-I695 PolarHBondContact O-N 2.8Å; L690-L718 HydrophobicContact CD1-CD1 4.3Å; L690-F721 HydrophobicContact CD1-CE1 3.88Å; L690-F721 HydrophobicContact CD1-CZ 4.23Å; L690-F721 HydrophobicContact CD2-CE1 3.79Å; L690-F721 HydrophobicContact CD2-CZ 4.29Å
691	H	93.9	Very high	93.6	Very high	12 Å²	12	26.2 Å²	26.2	6%	0.056	12%	0.119	C	C	.	.	H	α-helix	trans	-66	-36.2	-175.4	-73.7	-167	0	0	0	111.7	L687 N694 I695 R755 D758	L687-H691 VanDerWaalsContact O-CB 3.23Å; L687-H691 WeakPolarHBondContact O-CB 3.42Å; L687-H691 PolarHBondContact O-CD2 3.2Å; L687-H691 VanDerWaalsContact O-CG 3.25Å; L687-H691 PolarHBondContact O-N 3.17Å; H691-N694 PolarHBondContact O-N 3.22Å; H691-N694 VanDerWaalsContact O-N 3.12Å; H691-I695 PolarHBondContact CD2-O 3.49Å; H691-R755 HydrophobicContact CB-CG 4.21Å; H691-R755 PolarHBondContact CE1-O 3.14Å; H691-R755 PolarHBondContact O-NE 2.93Å; H691-R755 VanDerWaalsContact O-NE 3.15Å; H691-R755 PolarHBondContact O-NH2 3.23Å; H691-D758 IonicContact CD2-OD2 2.69Å; H691-D758 IonicContact CE1-OD2 2.76Å; H691-D758 IonicContact NE2-OD2 3.52Å; H691-D758 PolarHBondContact NE2-OD2 2.89Å
692	F	92.8	Very high	93.1	Very high	179 Å²	179	25.7 Å²	25.7	79%	0.785	12%	0.116	S	C	*	.	H	α-helix	trans	-61.6	-45.1	171.3	-177.3	-96.4	0	0	0	111.7	R688 N689 L690 N694	R688-F692 VanDerWaalsContact O-CB 3.24Å; R688-F692 WeakPolarHBondContact O-CB 3.29Å; R688-F692 PolarHBondContact O-N 2.78Å; N689-F692 PolarHBondContact O-N 2.92Å; L690-F692 VanDerWaalsContact C-N 3.33Å; L690-F692 PolarHBondContact O-N 3.1Å; F692-N694 PolarHBondContact O-N 3.24Å; F692-N694 VanDerWaalsContact O-N 3.09Å
693	K	91.1	Very high	92.6	Very high	90 Å²	90	27.9 Å²	27.9	39%	0.391	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	7.5	172.3	-71.5	171.5	175.8	-92.8	0	114.3	N629 L630 N689 L690 I695	N629-K693 PolarHBondContact O-NZ 2.84Å; L630-K693 HydrophobicContact CD2-CD 3.59Å; N689-K693 WeakPolarHBondContact O-CG 3.49Å; N689-K693 PolarHBondContact O-N 2.91Å; N689-K693 VanDerWaalsContact O-N 3.09Å; N689-K693 WeakPolarHBondContact OD1-CD 3.36Å; N689-K693 VanDerWaalsContact OD1-CE 3.24Å; N689-K693 WeakPolarHBondContact OD1-CE 3.18Å; L690-K693 CarbonylContact O-C 3.56Å; L690-K693 WeakPolarHBondContact O-CA 3.29Å; L690-K693 PolarHBondContact O-N 3.18Å; L690-K693 VanDerWaalsContact O-N 3.12Å; K693-I695 HydrophobicContact CB-CD1 3.97Å; K693-I695 HydrophobicContact CB-CG1 4.43Å; K693-I695 PolarHBondContact O-N 3.25Å
694	N	88.7	Confident	92.3	Very high	70 Å²	70	28.3 Å²	28.3	37%	0.374	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	22	-175.2	-68	-60.2	0	0	0	115.5	L690 H691 F692 I726 I727 R755	L690-N694 PolarHBondContact O-N 3.2Å; H691-N694 PolarHBondContact O-N 3.22Å; H691-N694 VanDerWaalsContact O-N 3.12Å; F692-N694 PolarHBondContact O-N 3.24Å; F692-N694 VanDerWaalsContact O-N 3.09Å; N694-I726 CarbonylContact O-C 3.45Å; N694-I726 WeakPolarHBondContact O-CA 3.29Å; N694-I727 HydrophobicContact CB-CB 4.19Å; N694-I727 HydrophobicContact CB-CD1 4.43Å; N694-I727 VanDerWaalsContact O-CG1 3.29Å; N694-I727 WeakPolarHBondContact O-CG1 3.35Å; N694-I727 PolarHBondContact O-N 2.84Å; N694-R755 PolarHBondContact OD1-NH2 3.17Å
695	I	89.9	Confident	92.2	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.046	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	141.6	175.2	-63.3	157.1	0	0	0	109.4	I626 L630 L690 H691 K693 A724 R725 I726	I626-I695 HydrophobicContact CG2-CD1 4.24Å; I626-I695 HydrophobicContact CG2-CG2 4.26Å; L630-I695 HydrophobicContact CD1-CD1 4.41Å; L630-I695 HydrophobicContact CD2-CD1 3.83Å; L630-I695 HydrophobicContact CG-CD1 4.26Å; L690-I695 CarbonylContact C-O 3.49Å; L690-I695 HydrophobicContact CB-CB 4.29Å; L690-I695 HydrophobicContact CB-CG2 4.48Å; L690-I695 HydrophobicContact CD2-CB 4.32Å; L690-I695 HydrophobicContact CD2-CG2 4.06Å; L690-I695 PolarHBondContact O-N 2.8Å; H691-I695 PolarHBondContact CD2-O 3.49Å; K693-I695 HydrophobicContact CB-CD1 3.97Å; K693-I695 HydrophobicContact CB-CG1 4.43Å; K693-I695 PolarHBondContact O-N 3.25Å; I695-A724 HydrophobicContact CG2-CB 4.37Å; I695-R725 WeakPolarHBondContact CA-O 3.43Å; I695-I726 HydrophobicContact CG1-CG1 4.23Å
696	V	89.8	Confident	92	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.8	171.7	-176.2	0	0	0	0	107.8	A724 R725 I727 R755 D758	V696-A724 CarbonylContact O-C 3.58Å; V696-A724 WeakPolarHBondContact O-CA 3.32Å; V696-A724 WeakPolarHBondContact O-CB 3.46Å; V696-R725 PolarHBondContact N-O 3.44Å; V696-R725 PolarHBondContact O-N 3.2Å; V696-I727 HydrophobicContact CG2-CD1 3.74Å; V696-I727 HydrophobicContact CG2-CG1 3.68Å; V696-R755 HydrophobicContact CG2-CG 4.48Å; V696-D758 WeakPolarHBondContact CA-OD2 3.3Å; V696-D758 WeakPolarHBondContact CG1-OD1 3.37Å; V696-D758 WeakPolarHBondContact CG1-OD2 3.48Å
697	H	91.3	Very high	92	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.138	C	C	.	.			trans	-77.8	-38.5	-175.4	-161.4	-90.3	0	0	0	113	D699 L700 C719 F721 D758	H697-D699 PolarHBondContact CE1-O 3.21Å; H697-D699 PolarHBondContact ND1-O 3.39Å; H697-D699 PolarHBondContact O-N 2.77Å; H697-L700 HydrophobicContact CB-CD1 4.22Å; H697-C719 PolarHBondContact CE1-O 2.8Å; H697-C719 PolarHBondContact NE2-O 2.71Å; H697-C719 VanDerWaalsContact NE2-O 3.13Å; H697-F721 AromaticContact CD2-CE1 3.75Å; H697-F721 AromaticContact CD2-CZ 3.93Å; H697-D758 PolarHBondContact N-OD1 3.25Å; H697-D758 VanDerWaalsContact N-OD1 3.14Å; H697-D758 PolarHBondContact N-OD2 3.14Å
698	C	87.3	Confident	91.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	16%	0.156	C	C	.	.	S	Bend	trans	67.8	-24.6	175.4	-48.8	0	0	0	0	117.1	F723 V737 Y753 D758	C698-F723 HydrophobicContact CB-CB 4.09Å; C698-F723 VanDerWaalsContact CB-O 3.3Å; C698-F723 WeakPolarHBondContact CB-O 3.09Å; C698-F723 PolarHBondContact SG-O 3.46Å; C698-V737 HydrophobicContact CB-CG2 4.31Å; C698-Y753 HydrophobicContact CB-CD1 4.14Å; C698-Y753 HydrophobicContact CB-CE1 4.02Å; C698-Y753 WeakPolarHBondContact SG-CD1 3.35Å; C698-D758 PolarHBondContact N-OD1 3.42Å
699	D	86.1	Confident	91.7	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.149	C	C	.	.			trans	-131.3	60.3	172.7	-170.5	47	0	0	0	110.3	H697 K701 N704 F723 G738 T739	H697-D699 PolarHBondContact CE1-O 3.21Å; H697-D699 PolarHBondContact ND1-O 3.39Å; H697-D699 PolarHBondContact O-N 2.77Å; D699-K701 IonicContact OD1-NZ 3.21Å; D699-K701 IonicContact OD2-NZ 2.73Å; D699-K701 PolarHBondContact OD2-NZ 3.38Å; D699-N704 PolarHBondContact O-ND2 3.47Å; D699-N704 PolarHBondContact OD2-ND2 3.05Å; D699-N704 VanDerWaalsContact OD2-ND2 3.15Å; D699-F723 HydrophobicContact CB-CB 4.01Å; D699-F723 HydrophobicContact CB-CD2 3.44Å; D699-F723 VanDerWaalsContact CB-CD2 3.44Å; D699-F723 HydrophobicContact CB-CE2 4.25Å; D699-F723 HydrophobicContact CB-CG 4.06Å; D699-G738 WeakPolarHBondContact OD1-CA 3.21Å; D699-T739 WeakPolarHBondContact OD1-CB 3.49Å; D699-T739 PolarHBondContact OD1-N 3.45Å; D699-T739 PolarHBondContact OD1-OG1 2.99Å
700	L	92	Very high	91.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.			trans	-85.1	122.6	177.2	-159.9	81.2	0	0	0	109.6	I683 L687 H697 L718 S761 V762 I765	I683-L700 HydrophobicContact CG2-CD2 4.15Å; L687-L700 HydrophobicContact CD1-CD2 3.94Å; L687-L700 HydrophobicContact CD2-CD1 4.39Å; L687-L700 HydrophobicContact CD2-CD2 4.3Å; H697-L700 HydrophobicContact CB-CD1 4.22Å; L700-L718 HydrophobicContact CD1-CD1 4.01Å; L700-L718 HydrophobicContact CD1-CD2 3.94Å; L700-S761 WeakPolarHBondContact O-CB 3.33Å; L700-V762 HydrophobicContact CD2-CG2 3.63Å; L700-I765 HydrophobicContact CD2-CD1 3.94Å; L700-I765 HydrophobicContact CG-CD1 3.94Å
701	K	88.7	Confident	91.3	Very high	25 Å²	25	35.2 Å²	35.2	11%	0.109	19%	0.19	C	C	.	.			trans	-160.5	160.1	-177.5	64.6	-168.5	-172.8	-140	0	109.9	D699 E703 N704 V705 T739 Y742	D699-K701 IonicContact OD1-NZ 3.21Å; D699-K701 IonicContact OD2-NZ 2.73Å; D699-K701 PolarHBondContact OD2-NZ 3.38Å; K701-E703 WeakPolarHBondContact CB-OE2 3.33Å; K701-E703 HydrophobicContact CD-CB 4.43Å; K701-E703 HydrophobicContact CG-CB 4.17Å; K701-E703 WeakPolarHBondContact CG-OE2 3.48Å; K701-E703 PolarHBondContact O-N 3.16Å; K701-E703 VanDerWaalsContact O-N 3.16Å; K701-N704 WeakPolarHBondContact CE-OD1 3.36Å; K701-N704 HydrophobicContact CG-CB 4.06Å; K701-N704 CarbonylContact O-C 3.2Å; K701-N704 WeakPolarHBondContact O-CA 3.26Å; K701-N704 PolarHBondContact O-N 3.33Å; K701-V705 WeakPolarHBondContact O-CG2 3.43Å; K701-V705 PolarHBondContact O-N 2.91Å; K701-T739 HydrophobicContact CD-CG2 4.38Å; K701-T739 WeakPolarHBondContact CD-OG1 3.29Å; K701-T739 PolarHBondContact NZ-OG1 3.4Å; K701-Y742 HydrophobicContact CB-CD1 4.07Å; K701-Y742 HydrophobicContact CB-CD2 3.85Å; K701-Y742 HydrophobicContact CB-CE1 3.96Å; K701-Y742 HydrophobicContact CB-CE2 3.67Å; K701-Y742 HydrophobicContact CB-CG 4.04Å; K701-Y742 HydrophobicContact CD-CE2 4.42Å
702	P	89.1	Confident	91	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-56	-31.7	-177.8	-25.1	36.1	0	0	0	114.3	M659 L660 I663 N704 V705 Y742 I765	M659-P702 HydrophobicContact CB-CB 4Å; M659-P702 WeakPolarHBondContact CB-O 3.46Å; M659-P702 HydrophobicContact CG-CB 4.27Å; M659-P702 PolarHBondContact N-O 3.02Å; L660-P702 HydrophobicContact CB-CB 4.02Å; I663-P702 HydrophobicContact CD1-CB 4.19Å; I663-P702 HydrophobicContact CD1-CG 4.31Å; P702-N704 PolarHBondContact O-N 3.46Å; P702-V705 PolarHBondContact O-N 3.34Å; P702-Y742 WeakPolarHBondContact CD-OH 3.48Å; P702-Y742 HydrophobicContact CG-CE1 4.48Å; P702-I765 HydrophobicContact CG-CG1 4.11Å
703	E	87.1	Confident	91.1	Very high	45 Å²	45	31.9 Å²	31.9	21%	0.21	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-64.8	-26.1	174.5	-50.5	95.6	108.9	0	0	113.3	L660 K701 Y742	L660-E703 HydrophobicContact CB-CG 4.11Å; L660-E703 HydrophobicContact CD2-CG 3.6Å; L660-E703 HydrophobicContact CG-CG 4.49Å; K701-E703 WeakPolarHBondContact CB-OE2 3.33Å; K701-E703 HydrophobicContact CD-CB 4.43Å; K701-E703 HydrophobicContact CG-CB 4.17Å; K701-E703 WeakPolarHBondContact CG-OE2 3.48Å; K701-E703 PolarHBondContact O-N 3.16Å; K701-E703 VanDerWaalsContact O-N 3.16Å; E703-Y742 PolarHBondContact OE2-OH 3.11Å
704	N	92.1	Very high	91.3	Very high	11 Å²	11	27.7 Å²	27.7	6%	0.059	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-99	12.4	178.5	-67.5	-1.8	0	0	0	112.1	D699 K701 P702 C719	D699-N704 PolarHBondContact O-ND2 3.47Å; D699-N704 PolarHBondContact OD2-ND2 3.05Å; D699-N704 VanDerWaalsContact OD2-ND2 3.15Å; K701-N704 WeakPolarHBondContact CE-OD1 3.36Å; K701-N704 HydrophobicContact CG-CB 4.06Å; K701-N704 CarbonylContact O-C 3.2Å; K701-N704 WeakPolarHBondContact O-CA 3.26Å; K701-N704 PolarHBondContact O-N 3.33Å; P702-N704 PolarHBondContact O-N 3.46Å; N704-C719 PolarHBondContact O-N 3.2Å; N704-C719 VanDerWaalsContact O-N 3.07Å
705	V	95.8	Very high	91.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	94.8	176.2	177.2	0	0	0	0	107.3	M659 I683 K701 P702 V716 L718	M659-V705 HydrophobicContact CB-CB 3.93Å; M659-V705 HydrophobicContact CB-CG1 3.94Å; M659-V705 HydrophobicContact CG-CG1 4.49Å; M659-V705 PolarHBondContact N-O 3.35Å; M659-V705 HydrophobicContact SD-CB 4.36Å; M659-V705 HydrophobicContact SD-CG1 3.91Å; I683-V705 HydrophobicContact CD1-CG1 3.94Å; I683-V705 HydrophobicContact CD1-CG2 4.06Å; I683-V705 HydrophobicContact CG1-CG1 4.14Å; I683-V705 HydrophobicContact CG1-CG2 4.42Å; K701-V705 WeakPolarHBondContact O-CG2 3.43Å; K701-V705 PolarHBondContact O-N 2.91Å; P702-V705 PolarHBondContact O-N 3.34Å; V705-V716 HydrophobicContact CG1-CG1 3.48Å; V705-V716 VanDerWaalsContact CG1-CG1 3.48Å; V705-L718 HydrophobicContact CG2-CD2 3.97Å
706	L	95.4	Very high	92.1	Very high	35 Å²	35	25.4 Å²	25.4	18%	0.183	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	152.6	-174.2	-55.6	-175.9	0	0	0	112.4	L655 G657 D658 V716 K717 C719	L655-L706 HydrophobicContact CB-CB 3.89Å; L655-L706 HydrophobicContact CB-CD1 4.19Å; L655-L706 HydrophobicContact CD2-CB 4.39Å; L655-L706 HydrophobicContact CD2-CD1 3.78Å; L655-L706 HydrophobicContact CG-CB 3.72Å; L655-L706 HydrophobicContact CG-CD1 3.99Å; G657-L706 WeakPolarHBondContact O-CA 3.2Å; D658-L706 HydrophobicContact CB-CD2 3.86Å; L706-V716 WeakPolarHBondContact O-CA 3.4Å; L706-K717 PolarHBondContact N-O 2.94Å; L706-K717 PolarHBondContact O-N 2.96Å; L706-C719 HydrophobicContact CD1-CB 3.73Å; L706-C719 HydrophobicContact CG-CB 4.04Å; L706-C719 VanDerWaalsContact CG-SG 3.57Å
707	L	96.2	Very high	92.4	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.3	-174.4	-46.1	-177	0	0	0	110.4	L655 H656 G657 M662 M679 S709 P714 V716	L655-L707 WeakPolarHBondContact CB-O 3.46Å; H656-L707 WeakPolarHBondContact CB-O 3.37Å; H656-L707 PolarHBondContact N-O 3.37Å; G657-L707 PolarHBondContact O-N 3.29Å; M662-L707 HydrophobicContact CB-CD1 3.82Å; M662-L707 HydrophobicContact CG-CD1 4.13Å; M662-L707 HydrophobicContact SD-CD1 3.89Å; M679-L707 HydrophobicContact CE-CD2 3.31Å; M679-L707 HydrophobicContact SD-CD2 4.23Å; L707-S709 VanDerWaalsContact C-N 3.29Å; L707-S709 PolarHBondContact O-N 3.01Å; L707-P714 HydrophobicContact CB-CB 4.31Å; L707-P714 HydrophobicContact CB-CG 4.2Å; L707-P714 HydrophobicContact CD1-CG 4.44Å; L707-P714 HydrophobicContact CD2-CG 4.11Å; L707-P714 HydrophobicContact CG-CG 4.48Å; L707-V716 HydrophobicContact CD2-CG2 4.38Å
708	A	94.5	Very high	92.7	Very high	47 Å²	47	26.5 Å²	26.5	39%	0.388	16%	0.156	S	C	.	.	S	Bend	trans	-71.9	-19.4	179.8	0	0	0	0	0	114.4	L655 Q715	L655-A708 HydrophobicContact CD1-CB 4.27Å; A708-Q715 HydrophobicContact CB-CB 3.81Å; A708-Q715 PolarHBondContact N-O 3.45Å
709	S	93.8	Very high	92.8	Very high	33 Å²	33	27.1 Å²	27.1	23%	0.231	16%	0.161	C	C	.	.	S	Bend	trans	-150.1	173	-177.3	72	0	0	0	0	112.3	L707 E711	L707-S709 VanDerWaalsContact C-N 3.29Å; L707-S709 PolarHBondContact O-N 3.01Å; S709-E711 VanDerWaalsContact C-N 3.25Å; S709-E711 WeakPolarHBondContact OG-CB 3.21Å; S709-E711 PolarHBondContact OG-N 3.39Å
710	A	90	Very high	92.7	Very high	79 Å²	79	28.4 Å²	28.4	65%	0.653	17%	0.168	S	C	*	.	S	Bend	trans	-83.5	5.7	171.5	0	0	0	0	0	113.4	H656	H656-A710 PolarHBondContact CD2-N 2.92Å; H656-A710 WeakPolarHBondContact NE2-CB 3.46Å
711	E	91.5	Very high	92.3	Very high	91 Å²	91	28.4 Å²	28.4	43%	0.425	17%	0.168	S	C	.	.	S	Bend	trans	-73.6	152.6	-176.5	-62.6	-172	163	0	0	111.1	S709 F713 P714 R847	S709-E711 VanDerWaalsContact C-N 3.25Å; S709-E711 WeakPolarHBondContact OG-CB 3.21Å; S709-E711 PolarHBondContact OG-N 3.39Å; E711-F713 PolarHBondContact O-N 3.15Å; E711-F713 VanDerWaalsContact O-N 3.11Å; E711-P714 WeakPolarHBondContact O-CD 3.45Å; E711-R847 IonicContact OE2-CZ 3.85Å; E711-R847 IonicContact OE2-NH1 3.41Å; E711-R847 PolarHBondContact OE2-NH1 3.38Å
712	P	86.8	Confident	91.6	Very high	78 Å²	78	27.2 Å²	27.2	51%	0.506	16%	0.162	S	C	.	.	S	Bend	trans	-62.9	-16.9	176.9	-23	34.3	0	0	0	114.6	I675	I675-P712 HydrophobicContact CD1-CB 4.13Å
713	F	95.4	Very high	90.9	Very high	43 Å²	43	28.2 Å²	28.2	19%	0.189	17%	0.167	C	C	.	.	S	Bend	trans	-130.5	70.4	-180	-62.7	-81.1	0	0	0	110	R674 I675 F678 E711 D840	R674-F713 HydrophobicContact CG-CE1 4.18Å; R674-F713 HydrophobicContact CG-CZ 4.12Å; I675-F713 HydrophobicContact CG1-CE1 4.38Å; I675-F713 HydrophobicContact CG1-CZ 4.38Å; F678-F713 HydrophobicContact CB-CD1 4.12Å; F678-F713 HydrophobicContact CB-CE1 4.34Å; F678-F713 HydrophobicContact CD1-CB 4.32Å; F678-F713 AromaticContact CD1-CD1 3.83Å; F678-F713 HydrophobicContact CD1-CD1 3.83Å; F678-F713 AromaticContact CD2-CD1 3.79Å; F678-F713 HydrophobicContact CD2-CD1 3.79Å; F678-F713 VanDerWaalsContact CE1-C 3.45Å; F678-F713 VanDerWaalsContact CE1-CA 3.47Å; F678-F713 HydrophobicContact CE1-CB 3.78Å; F678-F713 HydrophobicContact CE1-CD1 4.14Å; F678-F713 HydrophobicContact CE1-CG 4.48Å; F678-F713 HydrophobicContact CE2-CB 4.12Å; F678-F713 HydrophobicContact CE2-CD1 4.11Å; F678-F713 AromaticContact CG-CD1 3.66Å; F678-F713 HydrophobicContact CG-CD1 3.66Å; F678-F713 HydrophobicContact CG-CE1 4.34Å; F678-F713 HydrophobicContact CZ-CB 3.68Å; F678-F713 HydrophobicContact CZ-CD1 4.29Å; E711-F713 PolarHBondContact O-N 3.15Å; E711-F713 VanDerWaalsContact O-N 3.11Å; F713-D840 HydrophobicContact CD1-CB 4.29Å; F713-D840 HydrophobicContact CE1-CB 4.15Å; F713-D840 VanDerWaalsContact CE1-OD2 3.28Å; F713-D840 WeakPolarHBondContact CE1-OD2 3.4Å
714	P	96.1	Very high	90.7	Very high	1 Å²	1	26 Å²	26	1%	0.006	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-87.7	163.6	-174.4	37	-34.2	0	0	0	112	F678 M679 Q682 L707 E711 V716	F678-P714 WeakPolarHBondContact CE1-O 3.27Å; M679-P714 HydrophobicContact SD-CG 4Å; Q682-P714 PolarHBondContact NE2-O 3.36Å; L707-P714 HydrophobicContact CB-CB 4.31Å; L707-P714 HydrophobicContact CB-CG 4.2Å; L707-P714 HydrophobicContact CD1-CG 4.44Å; L707-P714 HydrophobicContact CD2-CG 4.11Å; L707-P714 HydrophobicContact CG-CG 4.48Å; E711-P714 WeakPolarHBondContact O-CD 3.45Å; P714-V716 PolarHBondContact O-N 3.38Å
715	Q	97.4	Very high	90.1	Very high	31 Å²	31	26.2 Å²	26.2	15%	0.145	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-67.4	131.2	163.5	-174	168.1	58.1	0	0	109.5	A708 K717 F844 Y852	A708-Q715 HydrophobicContact CB-CB 3.81Å; A708-Q715 PolarHBondContact N-O 3.45Å; Q715-K717 HydrophobicContact CG-CG 4.37Å; Q715-F844 HydrophobicContact CB-CE2 3.77Å; Q715-F844 HydrophobicContact CB-CZ 3.57Å; Q715-F844 HydrophobicContact CG-CZ 3.84Å; Q715-Y852 PolarHBondContact NE2-OH 3.19Å
716	V	97.6	Very high	89.4	Confident	1 Å²	1	29 Å²	29	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.1	175.4	172.6	0	0	0	0	110.1	G634 M679 Q682 I683 V705 L706 L707 P714	G634-V716 WeakPolarHBondContact CA-O 3.13Å; M679-V716 HydrophobicContact CB-CG2 4.47Å; M679-V716 HydrophobicContact CE-CG2 3.84Å; M679-V716 HydrophobicContact SD-CG2 3.41Å; M679-V716 WeakPolarHBondContact SD-CG2 3.31Å; Q682-V716 HydrophobicContact CB-CB 3.84Å; Q682-V716 HydrophobicContact CB-CG1 4.48Å; Q682-V716 HydrophobicContact CB-CG2 4.19Å; I683-V716 HydrophobicContact CG1-CG1 3.95Å; V705-V716 HydrophobicContact CG1-CG1 3.48Å; V705-V716 VanDerWaalsContact CG1-CG1 3.48Å; L706-V716 WeakPolarHBondContact O-CA 3.4Å; L707-V716 HydrophobicContact CD2-CG2 4.38Å; P714-V716 PolarHBondContact O-N 3.38Å
717	K	97.1	Very high	88.4	Confident	22 Å²	22	29.6 Å²	29.6	10%	0.096	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128	173.6	-60	-161.9	-178.7	-176.8	0	112.1	P633 G634 E653 L655 L706 Q715	P633-K717 WeakPolarHBondContact O-CE 3.47Å; P633-K717 WeakPolarHBondContact O-CG 3.38Å; G634-K717 WeakPolarHBondContact O-CA 3.38Å; E653-K717 VanDerWaalsContact OE1-CD 3.23Å; E653-K717 WeakPolarHBondContact OE1-CD 3.26Å; E653-K717 IonicContact OE1-NZ 3.61Å; E653-K717 PolarHBondContact OE1-NZ 2.68Å; E653-K717 IonicContact OE2-NZ 3.66Å; E653-K717 PolarHBondContact OE2-NZ 3.41Å; L655-K717 HydrophobicContact CD1-CD 4.23Å; L706-K717 PolarHBondContact N-O 2.94Å; L706-K717 PolarHBondContact O-N 2.96Å; Q715-K717 HydrophobicContact CG-CG 4.37Å
718	L	96.1	Very high	86.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.9	175	-56.3	-174.2	0	0	0	111.4	G634 V636 I683 A686 L687 L690 L700 V705	G634-L718 PolarHBondContact O-N 3.3Å; V636-L718 WeakPolarHBondContact CG1-O 3.12Å; V636-L718 PolarHBondContact N-O 3.4Å; I683-L718 HydrophobicContact CG1-CD2 4.37Å; I683-L718 HydrophobicContact CG2-CD2 4.41Å; A686-L718 HydrophobicContact CB-CD1 3.7Å; A686-L718 HydrophobicContact CB-CG 3.98Å; L687-L718 HydrophobicContact CD2-CD1 4.23Å; L687-L718 HydrophobicContact CG-CD1 4.41Å; L690-L718 HydrophobicContact CD1-CD1 4.3Å; L700-L718 HydrophobicContact CD1-CD1 4.01Å; L700-L718 HydrophobicContact CD1-CD2 3.94Å; V705-L718 HydrophobicContact CG2-CD2 3.97Å
719	C	90.6	Very high	85.1	Confident	15 Å²	15	34.1 Å²	34.1	10%	0.101	21%	0.205	C	C	.	.			trans	-142.6	175.2	-177.6	81.9	0	0	0	0	114.5	V636 H697 N704 L706	V636-C719 HydrophobicContact CB-CB 4.27Å; V636-C719 HydrophobicContact CG1-CB 3.89Å; H697-C719 PolarHBondContact CE1-O 2.8Å; H697-C719 PolarHBondContact NE2-O 2.71Å; H697-C719 VanDerWaalsContact NE2-O 3.13Å; N704-C719 PolarHBondContact O-N 3.2Å; N704-C719 VanDerWaalsContact O-N 3.07Å; L706-C719 HydrophobicContact CD1-CB 3.73Å; L706-C719 HydrophobicContact CG-CB 4.04Å; L706-C719 VanDerWaalsContact CG-SG 3.57Å
720	D	82.9	Confident	83.1	Confident	32 Å²	32	42.6 Å²	42.6	17%	0.171	24%	0.238	C	C	.	.			trans	60.7	64.8	-178	-158.6	21.9	0	0	0	115.6	K605 G722	K605-D720 IonicContact NZ-OD1 3.7Å; K605-D720 PolarHBondContact NZ-OD1 3.34Å; D720-G722 PolarHBondContact O-N 3.29Å
721	F	83.8	Confident	81.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-74.4	11.1	-179	-73.3	-100.3	0	0	0	114.5	E623 I626 L627 L630 I635 L690 H697 F723 A724	E623-F721 HydrophobicContact CG-CB 4.05Å; I626-F721 HydrophobicContact CG2-CB 4.48Å; I626-F721 HydrophobicContact CG2-CD1 3.82Å; I626-F721 HydrophobicContact CG2-CG 4.42Å; L627-F721 HydrophobicContact CD2-CB 4.5Å; L627-F721 HydrophobicContact CD2-CD2 3.55Å; L627-F721 HydrophobicContact CD2-CE2 3.94Å; L627-F721 HydrophobicContact CD2-CG 4.08Å; L627-F721 HydrophobicContact CG-CB 4.3Å; L627-F721 HydrophobicContact CG-CD2 4.26Å; L627-F721 HydrophobicContact CG-CG 4.38Å; L630-F721 HydrophobicContact CD1-CD1 4.11Å; L630-F721 HydrophobicContact CD1-CE1 3.64Å; L630-F721 HydrophobicContact CD1-CZ 4.01Å; I635-F721 HydrophobicContact CG2-CE2 3.92Å; I635-F721 HydrophobicContact CG2-CZ 3.79Å; L690-F721 HydrophobicContact CD1-CE1 3.88Å; L690-F721 HydrophobicContact CD1-CZ 4.23Å; L690-F721 HydrophobicContact CD2-CE1 3.79Å; L690-F721 HydrophobicContact CD2-CZ 4.29Å; H697-F721 AromaticContact CD2-CE1 3.75Å; H697-F721 AromaticContact CD2-CZ 3.93Å; F721-F723 PolarHBondContact O-N 2.67Å; F721-F723 VanDerWaalsContact O-N 3.15Å; F721-A724 HydrophobicContact CB-CB 4.02Å; F721-A724 HydrophobicContact CD1-CB 3.74Å; F721-A724 HydrophobicContact CG-CB 4.34Å; F721-A724 VanDerWaalsContact O-CB 3.28Å; F721-A724 WeakPolarHBondContact O-CB 3.29Å; F721-A724 PolarHBondContact O-N 3.28Å
722	G	74.3	Confident	79.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29.4	179.1	0	0	0	0	0	114.1	D720 R725	D720-G722 PolarHBondContact O-N 3.29Å; G722-R725 PolarHBondContact O-NH1 3.33Å
723	F	74.8	Confident	77.1	Confident	20 Å²	20	43.5 Å²	43.5	9%	0.088	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-92.9	-8.9	175.2	-61.5	-61.5	0	0	0	114.5	F587 C698 D699 F721 R725 V737	F587-F723 HydrophobicContact CE2-CE1 4.3Å; F587-F723 HydrophobicContact CE2-CE2 4.45Å; F587-F723 HydrophobicContact CE2-CZ 4.18Å; F587-F723 HydrophobicContact CZ-CE1 4.2Å; F587-F723 HydrophobicContact CZ-CZ 4.46Å; C698-F723 HydrophobicContact CB-CB 4.09Å; C698-F723 VanDerWaalsContact CB-O 3.3Å; C698-F723 WeakPolarHBondContact CB-O 3.09Å; C698-F723 PolarHBondContact SG-O 3.46Å; D699-F723 HydrophobicContact CB-CB 4.01Å; D699-F723 HydrophobicContact CB-CD2 3.44Å; D699-F723 VanDerWaalsContact CB-CD2 3.44Å; D699-F723 HydrophobicContact CB-CE2 4.25Å; D699-F723 HydrophobicContact CB-CG 4.06Å; F721-F723 PolarHBondContact O-N 2.67Å; F721-F723 VanDerWaalsContact O-N 3.15Å; F723-R725 VanDerWaalsContact C-NH1 3.3Å; F723-R725 VanDerWaalsContact O-CZ 3.28Å; F723-R725 PolarHBondContact O-NH1 3.11Å; F723-V737 HydrophobicContact CB-CG2 4.08Å; F723-V737 HydrophobicContact CD1-CB 3.49Å; F723-V737 VanDerWaalsContact CD1-CB 3.49Å; F723-V737 HydrophobicContact CD1-CG1 3.83Å; F723-V737 HydrophobicContact CD1-CG2 3.83Å; F723-V737 HydrophobicContact CE1-CB 3.9Å; F723-V737 HydrophobicContact CE1-CG1 4.05Å; F723-V737 HydrophobicContact CG-CB 4.26Å; F723-V737 HydrophobicContact CG-CG2 4.28Å
724	A	82.4	Confident	74.8	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.			trans	-66.3	146	-175.5	0	0	0	0	0	112.8	N622 I626 I695 V696 F721	N622-A724 PolarHBondContact ND2-O 3.22Å; I626-A724 HydrophobicContact CD1-CB 3.9Å; I695-A724 HydrophobicContact CG2-CB 4.37Å; V696-A724 CarbonylContact O-C 3.58Å; V696-A724 WeakPolarHBondContact O-CA 3.32Å; V696-A724 WeakPolarHBondContact O-CB 3.46Å; F721-A724 HydrophobicContact CB-CB 4.02Å; F721-A724 HydrophobicContact CD1-CB 3.74Å; F721-A724 HydrophobicContact CG-CB 4.34Å; F721-A724 VanDerWaalsContact O-CB 3.28Å; F721-A724 WeakPolarHBondContact O-CB 3.29Å; F721-A724 PolarHBondContact O-N 3.28Å
725	R	79.9	Confident	72.7	Confident	14 Å²	14	55.3 Å²	55.3	5%	0.053	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.4	-175.4	-56.7	-63.5	173.3	-107.1	-2.6	111.9	I695 V696 G722 F723 F732	I695-R725 WeakPolarHBondContact CA-O 3.43Å; V696-R725 PolarHBondContact N-O 3.44Å; V696-R725 PolarHBondContact O-N 3.2Å; G722-R725 PolarHBondContact O-NH1 3.33Å; F723-R725 VanDerWaalsContact C-NH1 3.3Å; F723-R725 VanDerWaalsContact O-CZ 3.28Å; F723-R725 PolarHBondContact O-NH1 3.11Å; R725-F732 HydrophobicContact CB-CD2 4.39Å
726	I	81.2	Confident	70.7	Confident	58 Å²	58	58 Å²	58	30%	0.297	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.4	172.3	-58.8	172	0	0	0	109.5	I626 N694 I695 E729 F732	I626-I726 HydrophobicContact CD1-CG1 4.46Å; I626-I726 HydrophobicContact CG1-CD1 4.47Å; I626-I726 HydrophobicContact CG1-CG1 4.45Å; N694-I726 CarbonylContact O-C 3.45Å; N694-I726 WeakPolarHBondContact O-CA 3.29Å; I695-I726 HydrophobicContact CG1-CG1 4.23Å; I726-E729 HydrophobicContact CB-CG 4.19Å; I726-E729 HydrophobicContact CG2-CG 4.34Å; I726-F732 WeakPolarHBondContact O-CD2 3.22Å
727	I	74.7	Confident	68.8	Low	49 Å²	49	58.9 Å²	58.9	25%	0.251	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	132.7	-179.1	-58.6	160.6	0	0	0	110.2	N694 V696 F732 R755	N694-I727 HydrophobicContact CB-CB 4.19Å; N694-I727 HydrophobicContact CB-CD1 4.43Å; N694-I727 VanDerWaalsContact O-CG1 3.29Å; N694-I727 WeakPolarHBondContact O-CG1 3.35Å; N694-I727 PolarHBondContact O-N 2.84Å; V696-I727 HydrophobicContact CG2-CD1 3.74Å; V696-I727 HydrophobicContact CG2-CG1 3.68Å; I727-F732 HydrophobicContact CB-CE2 3.97Å; I727-F732 HydrophobicContact CB-CZ 4.02Å; I727-F732 HydrophobicContact CG1-CE2 3.62Å; I727-F732 HydrophobicContact CG1-CZ 3.77Å; I727-F732 HydrophobicContact CG2-CE1 4.26Å; I727-F732 HydrophobicContact CG2-CE2 4.24Å; I727-F732 HydrophobicContact CG2-CZ 3.78Å; I727-R755 HydrophobicContact CD1-CG 3.49Å; I727-R755 VanDerWaalsContact CD1-CG 3.49Å
728	G	60.3	Low	66.9	Low	70 Å²	70	58.8 Å²	58.8	72%	0.722	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	-15.2	176.4	0	0	0	0	0	114.5
729	E	61.1	Low	65.4	Low	80 Å²	80	60.5 Å²	60.5	37%	0.374	31%	0.311	S	S	.	.	S	Bend	trans	-67.6	162.1	176.2	-70.7	-161.5	160.6	0	0	114.1	I726 S731 F732	I726-E729 HydrophobicContact CB-CG 4.19Å; I726-E729 HydrophobicContact CG2-CG 4.34Å; E729-S731 WeakPolarHBondContact CB-OG 3.24Å; E729-S731 PolarHBondContact O-N 3.02Å; E729-S731 PolarHBondContact OE2-OG 2.93Å; E729-F732 WeakPolarHBondContact O-CB 3.36Å; E729-F732 PolarHBondContact O-N 3Å
730	K	50.9	Low	64.2	Low	211 Å²	211	63 Å²	63	92%	0.917	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-68	-22.5	171.6	-63.9	177.9	-176.6	173.4	0	112.8	F732	K730-F732 VanDerWaalsContact C-N 3.28Å; K730-F732 PolarHBondContact O-N 3.34Å
731	S	51.3	Low	63.5	Low	60 Å²	60	62.1 Å²	62.1	42%	0.42	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-65.8	-26.6	175.9	58.5	0	0	0	0	113.4	E729 R733	E729-S731 WeakPolarHBondContact CB-OG 3.24Å; E729-S731 PolarHBondContact O-N 3.02Å; E729-S731 PolarHBondContact OE2-OG 2.93Å; S731-R733 VanDerWaalsContact C-N 3.27Å; S731-R733 PolarHBondContact O-N 3.28Å
732	F	45.9	Very low	63.1	Low	28 Å²	28	62.5 Å²	62.5	12%	0.123	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-68.4	-4.3	-162.3	-168.9	-112.9	0	0	0	117.2	R725 I726 I727 E729 K730 Y753	R725-F732 HydrophobicContact CB-CD2 4.39Å; I726-F732 WeakPolarHBondContact O-CD2 3.22Å; I727-F732 HydrophobicContact CB-CE2 3.97Å; I727-F732 HydrophobicContact CB-CZ 4.02Å; I727-F732 HydrophobicContact CG1-CE2 3.62Å; I727-F732 HydrophobicContact CG1-CZ 3.77Å; I727-F732 HydrophobicContact CG2-CE1 4.26Å; I727-F732 HydrophobicContact CG2-CE2 4.24Å; I727-F732 HydrophobicContact CG2-CZ 3.78Å; E729-F732 WeakPolarHBondContact O-CB 3.36Å; E729-F732 PolarHBondContact O-N 3Å; K730-F732 VanDerWaalsContact C-N 3.28Å; K730-F732 PolarHBondContact O-N 3.34Å; F732-Y753 WeakPolarHBondContact CE1-O 3.25Å; F732-Y753 WeakPolarHBondContact CZ-O 3.19Å; F732-Y753 WeakPolarHBondContact O-CD2 3.19Å; F732-Y753 PolarHBondContact O-N 3.42Å
733	R	45.6	Very low	63.3	Low	179 Å²	179	63.1 Å²	63.1	68%	0.675	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-121.8	-0.8	-153	-118.5	-170.8	-74.1	-173.1	-4.8	118.9	S731	S731-R733 VanDerWaalsContact C-N 3.27Å; S731-R733 PolarHBondContact O-N 3.28Å
734	R	46.3	Very low	63.7	Low	243 Å²	243	62.1 Å²	62.1	92%	0.917	32%	0.324	S	S	*	.	S	Bend	trans	-145.5	2.1	-162.9	-62	-170.8	-174.4	165.5	1.7	120.2
735	S	52.3	Low	63.7	Low	48 Å²	48	62.1 Å²	62.1	34%	0.336	32%	0.324	S	S	.	.			trans	-112.9	146	176.9	54.4	0	0	0	0	111	Y753	S735-Y753 WeakPolarHBondContact O-CE2 3.29Å; S735-Y753 VanDerWaalsContact O-CZ 3.3Å; S735-Y753 PolarHBondContact O-OH 3.15Å
736	V	56.1	Low	63.8	Low	88 Å²	88	61.8 Å²	61.8	53%	0.533	32%	0.323	S	S	.	.			trans	-90.7	124.1	160	174.2	0	0	0	0	106.9	L743 V747	V736-L743 HydrophobicContact CG1-CD1 4.47Å; V736-V747 HydrophobicContact CG1-CG1 4.12Å; V736-V747 HydrophobicContact CG2-CG1 4.45Å
737	V	56.4	Low	63.5	Low	19 Å²	19	59.3 Å²	59.3	12%	0.115	31%	0.311	C	S	.	.			trans	-142.7	162.9	173.1	-60.3	0	0	0	0	110.1	C698 F723 L743 Y753	C698-V737 HydrophobicContact CB-CG2 4.31Å; F723-V737 HydrophobicContact CB-CG2 4.08Å; F723-V737 HydrophobicContact CD1-CB 3.49Å; F723-V737 VanDerWaalsContact CD1-CB 3.49Å; F723-V737 HydrophobicContact CD1-CG1 3.83Å; F723-V737 HydrophobicContact CD1-CG2 3.83Å; F723-V737 HydrophobicContact CE1-CB 3.9Å; F723-V737 HydrophobicContact CE1-CG1 4.05Å; F723-V737 HydrophobicContact CG-CB 4.26Å; F723-V737 HydrophobicContact CG-CG2 4.28Å; V737-L743 VanDerWaalsContact O-CD2 3.25Å; V737-L743 WeakPolarHBondContact O-CD2 3.46Å; V737-Y753 HydrophobicContact CG2-CE1 4Å; V737-Y753 WeakPolarHBondContact CG2-OH 3.26Å; V737-Y753 PolarHBondContact N-OH 2.92Å
738	G	58.4	Low	63.2	Low	20 Å²	20	59.2 Å²	59.2	21%	0.206	31%	0.311	C	S	.	.	S	Bend	trans	106.5	159.9	-175.1	0	0	0	0	0	112.6	D699	D699-G738 WeakPolarHBondContact OD1-CA 3.21Å
739	T	64.3	Low	63.5	Low	36 Å²	36	59.9 Å²	59.9	22%	0.221	29%	0.291	C	S	.	.			trans	-76.7	124.5	-175.7	-55.7	0	0	0	0	110.6	D699 K701 A741 Y742	D699-T739 WeakPolarHBondContact OD1-CB 3.49Å; D699-T739 PolarHBondContact OD1-N 3.45Å; D699-T739 PolarHBondContact OD1-OG1 2.99Å; K701-T739 HydrophobicContact CD-CG2 4.38Å; K701-T739 WeakPolarHBondContact CD-OG1 3.29Å; K701-T739 PolarHBondContact NZ-OG1 3.4Å; T739-A741 PolarHBondContact O-N 2.77Å; T739-A741 VanDerWaalsContact O-N 3.1Å; T739-Y742 HydrophobicContact CG2-CD2 3.89Å; T739-Y742 HydrophobicContact CG2-CE2 4.16Å; T739-Y742 PolarHBondContact O-N 2.65Å
740	P	65.4	Low	63.4	Low	68 Å²	68	60.7 Å²	60.7	44%	0.442	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-48.4	-45	-165.2	-34.1	36.7	0	0	0	117.1	Y742 L743	P740-Y742 PolarHBondContact O-N 3.48Å; P740-Y742 VanDerWaalsContact O-N 3.14Å; P740-L743 PolarHBondContact O-N 2.97Å
741	A	67.3	Low	63.8	Low	14 Å²	14	58.1 Å²	58.1	12%	0.116	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-65.7	-14	-179	0	0	0	0	0	114.6	T739 F774	T739-A741 PolarHBondContact O-N 2.77Å; T739-A741 VanDerWaalsContact O-N 3.1Å; A741-F774 HydrophobicContact CB-CD1 3.75Å; A741-F774 HydrophobicContact CB-CE1 3.7Å
742	Y	76.6	Confident	64.2	Low	7 Å²	7	55.7 Å²	55.7	3%	0.027	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-109.5	1.7	-179.3	-57.2	-87.4	0	0	0	113.3	K701 P702 E703 T739 P740 S761 V764 F774	K701-Y742 HydrophobicContact CB-CD1 4.07Å; K701-Y742 HydrophobicContact CB-CD2 3.85Å; K701-Y742 HydrophobicContact CB-CE1 3.96Å; K701-Y742 HydrophobicContact CB-CE2 3.67Å; K701-Y742 HydrophobicContact CB-CG 4.04Å; K701-Y742 HydrophobicContact CD-CE2 4.42Å; P702-Y742 WeakPolarHBondContact CD-OH 3.48Å; P702-Y742 HydrophobicContact CG-CE1 4.48Å; E703-Y742 PolarHBondContact OE2-OH 3.11Å; T739-Y742 HydrophobicContact CG2-CD2 3.89Å; T739-Y742 HydrophobicContact CG2-CE2 4.16Å; T739-Y742 PolarHBondContact O-N 2.65Å; P740-Y742 PolarHBondContact O-N 3.48Å; P740-Y742 VanDerWaalsContact O-N 3.14Å; Y742-S761 PolarHBondContact O-OG 2.89Å; Y742-V764 HydrophobicContact CD1-CB 3.86Å; Y742-V764 HydrophobicContact CD1-CG1 3.43Å; Y742-V764 VanDerWaalsContact CD1-CG1 3.43Å; Y742-V764 HydrophobicContact CE1-CB 4.36Å; Y742-V764 HydrophobicContact CE1-CG1 3.62Å; Y742-V764 HydrophobicContact CG-CG1 4.33Å; Y742-F774 HydrophobicContact CE1-CE1 4.26Å; Y742-F774 AromaticContact CE2-CE1 3.99Å; Y742-F774 HydrophobicContact CE2-CE1 3.99Å; Y742-F774 HydrophobicContact CE2-CZ 4.48Å; Y742-F774 AromaticContact CZ-CE1 3.68Å
743	L	79.1	Confident	65.2	Low	13 Å²	13	54.9 Å²	54.9	7%	0.068	28%	0.275	C	S	.	.			trans	-72.8	135.3	-175	-68.8	-178.3	0	0	0	113	V736 V737 P740 V747 L748 W760	V736-L743 HydrophobicContact CG1-CD1 4.47Å; V737-L743 VanDerWaalsContact O-CD2 3.25Å; V737-L743 WeakPolarHBondContact O-CD2 3.46Å; P740-L743 PolarHBondContact O-N 2.97Å; L743-V747 HydrophobicContact CD2-CG1 4.47Å; L743-L748 HydrophobicContact CD1-CD2 4.07Å; L743-W760 PolarHBondContact O-NE1 3.06Å
744	A	81.8	Confident	66.9	Low	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.			trans	-79.9	148.5	176.3	0	0	0	0	0	112.6	E746 V747 L757 W760	A744-E746 HydrophobicContact CB-CG 4.4Å; A744-E746 PolarHBondContact O-N 3.33Å; A744-E746 VanDerWaalsContact O-N 3.09Å; A744-V747 HydrophobicContact CB-CG2 4.3Å; A744-V747 WeakPolarHBondContact O-CB 3.47Å; A744-V747 PolarHBondContact O-N 3.45Å; A744-L757 HydrophobicContact CB-CB 4.42Å; A744-L757 HydrophobicContact CB-CG 4.09Å; A744-W760 HydrophobicContact CB-CB 3.81Å; A744-W760 HydrophobicContact CB-CD2 4.37Å; A744-W760 HydrophobicContact CB-CG 3.79Å
745	P	84	Confident	68.9	Low	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-26.1	-174.2	-25.3	34.6	0	0	0	115.2	V747 R749 W760 I786 V815	P745-V747 VanDerWaalsContact C-N 3.35Å; P745-R749 WeakPolarHBondContact O-CD 3.48Å; P745-R749 VanDerWaalsContact O-CG 3.26Å; P745-R749 WeakPolarHBondContact O-CG 3.37Å; P745-R749 PolarHBondContact O-N 3.27Å; P745-W760 HydrophobicContact CG-CD2 4.49Å; P745-W760 HydrophobicContact CG-CE3 4.1Å; P745-W760 HydrophobicContact CG-CH2 3.46Å; P745-W760 VanDerWaalsContact CG-CH2 3.46Å; P745-W760 HydrophobicContact CG-CZ2 3.9Å; P745-W760 HydrophobicContact CG-CZ3 3.57Å; P745-I786 HydrophobicContact CB-CG2 4.18Å; P745-I786 HydrophobicContact CG-CG2 3.75Å; P745-I786 VanDerWaalsContact CG-O 3.29Å; P745-I786 WeakPolarHBondContact CG-O 3.46Å; P745-V815 HydrophobicContact CB-CG1 4.17Å; P745-V815 HydrophobicContact CG-CG1 4.39Å
746	E	81.6	Confident	70.8	Confident	6 Å²	6	40 Å²	40	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-72.8	-23.3	175.9	60.1	-97.9	-140.6	0	0	114.4	A744 R749 S750 K751 N754 S756 M817 R820	A744-E746 HydrophobicContact CB-CG 4.4Å; A744-E746 PolarHBondContact O-N 3.33Å; A744-E746 VanDerWaalsContact O-N 3.09Å; E746-R749 CarbonylContact O-C 3.51Å; E746-R749 PolarHBondContact O-N 3.07Å; E746-S750 PolarHBondContact O-N 3.09Å; E746-K751 PolarHBondContact O-N 2.97Å; E746-K751 VanDerWaalsContact O-N 3.13Å; E746-N754 PolarHBondContact OE1-ND2 3.4Å; E746-N754 VanDerWaalsContact OE1-ND2 3.15Å; E746-S756 PolarHBondContact OE1-OG 2.92Å; E746-M817 HydrophobicContact CB-CE 4.38Å; E746-M817 HydrophobicContact CB-SD 3.87Å; E746-M817 HydrophobicContact CG-CG 4.44Å; E746-M817 HydrophobicContact CG-SD 3.83Å; E746-R820 IonicContact OE1-CZ 3.55Å; E746-R820 IonicContact OE1-NH1 2.81Å; E746-R820 PolarHBondContact OE1-NH1 3.24Å; E746-R820 IonicContact OE1-NH2 3.44Å; E746-R820 IonicContact OE2-CZ 3.17Å; E746-R820 IonicContact OE2-NH1 3.23Å; E746-R820 PolarHBondContact OE2-NH1 3.44Å; E746-R820 IonicContact OE2-NH2 2.7Å; E746-R820 PolarHBondContact OE2-NH2 3.27Å
747	V	75.4	Confident	72.4	Confident	6 Å²	6	35.9 Å²	35.9	4%	0.036	19%	0.192	C	C	.	.	H	α-helix	trans	-71.3	-48.2	176.9	-173.7	0	0	0	0	109.3	V736 L743 A744 P745 R749 S750 L757	V736-V747 HydrophobicContact CG1-CG1 4.12Å; V736-V747 HydrophobicContact CG2-CG1 4.45Å; L743-V747 HydrophobicContact CD2-CG1 4.47Å; A744-V747 HydrophobicContact CB-CG2 4.3Å; A744-V747 WeakPolarHBondContact O-CB 3.47Å; A744-V747 PolarHBondContact O-N 3.45Å; P745-V747 VanDerWaalsContact C-N 3.35Å; V747-R749 PolarHBondContact O-N 2.83Å; V747-S750 PolarHBondContact O-N 2.82Å; V747-S750 VanDerWaalsContact O-N 3.08Å; V747-L757 HydrophobicContact CG2-CD1 3.55Å; V747-L757 HydrophobicContact CG2-CG 3.96Å
748	L	67.4	Low	74.2	Confident	47 Å²	47	35 Å²	35	25%	0.246	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-25.2	173.9	-56.5	-178.6	0	0	0	112.8	L743 N783 I786	L743-L748 HydrophobicContact CD1-CD2 4.07Å; L748-N783 HydrophobicContact CD1-CB 4.22Å; L748-I786 HydrophobicContact CD1-CB 4.09Å; L748-I786 HydrophobicContact CD1-CD1 4.45Å; L748-I786 HydrophobicContact CD1-CG2 3.67Å
749	R	66.9	Low	76	Confident	85 Å²	85	34.1 Å²	34.1	32%	0.321	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	10.9	179.8	-67.3	170.2	173.9	149.8	-3.7	113.4	P745 E746 V747 K751 Q787	P745-R749 WeakPolarHBondContact O-CD 3.48Å; P745-R749 VanDerWaalsContact O-CG 3.26Å; P745-R749 WeakPolarHBondContact O-CG 3.37Å; P745-R749 PolarHBondContact O-N 3.27Å; E746-R749 CarbonylContact O-C 3.51Å; E746-R749 PolarHBondContact O-N 3.07Å; V747-R749 PolarHBondContact O-N 2.83Å; R749-K751 HydrophobicContact CB-CG 4.23Å; R749-K751 WeakPolarHBondContact O-CG 3.45Å; R749-K751 PolarHBondContact O-N 3.3Å; R749-K751 VanDerWaalsContact O-N 3.08Å; R749-Q787 VanDerWaalsContact CZ-OE1 3.29Å; R749-Q787 VanDerWaalsContact NH2-CB 3.26Å; R749-Q787 PolarHBondContact NH2-O 3.26Å
750	S	58.5	Low	77.5	Confident	96 Å²	96	32.4 Å²	32.4	67%	0.671	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	28.1	177.5	-61.5	0	0	0	0	115.4	E746 V747 G752	E746-S750 PolarHBondContact O-N 3.09Å; V747-S750 PolarHBondContact O-N 2.82Å; V747-S750 VanDerWaalsContact O-N 3.08Å; S750-G752 PolarHBondContact O-N 3.19Å
751	K	58.6	Low	78.9	Confident	157 Å²	157	29.2 Å²	29.2	68%	0.683	15%	0.146	S	C	*	.			trans	-82.6	5.9	-175.8	-62.7	-163.3	174	-178.2	0	114.5	E746 R749	E746-K751 PolarHBondContact O-N 2.97Å; E746-K751 VanDerWaalsContact O-N 3.13Å; R749-K751 HydrophobicContact CB-CG 4.23Å; R749-K751 WeakPolarHBondContact O-CG 3.45Å; R749-K751 PolarHBondContact O-N 3.3Å; R749-K751 VanDerWaalsContact O-N 3.08Å
752	G	60.3	Low	80.4	Confident	10 Å²	10	28.6 Å²	28.6	10%	0.103	14%	0.141	C	C	.	.			trans	87.5	162.7	-176	0	0	0	0	0	112.9	S750	S750-G752 PolarHBondContact O-N 3.19Å
753	Y	66.8	Low	81.4	Confident	10 Å²	10	28.2 Å²	28.2	4%	0.039	14%	0.139	C	C	.	.			trans	-68.3	161.6	176.2	-71.2	-89.2	0	0	0	110.8	C698 F732 S735 V737 L757	C698-Y753 HydrophobicContact CB-CD1 4.14Å; C698-Y753 HydrophobicContact CB-CE1 4.02Å; C698-Y753 WeakPolarHBondContact SG-CD1 3.35Å; F732-Y753 WeakPolarHBondContact CE1-O 3.25Å; F732-Y753 WeakPolarHBondContact CZ-O 3.19Å; F732-Y753 WeakPolarHBondContact O-CD2 3.19Å; F732-Y753 PolarHBondContact O-N 3.42Å; S735-Y753 WeakPolarHBondContact O-CE2 3.29Å; S735-Y753 VanDerWaalsContact O-CZ 3.3Å; S735-Y753 PolarHBondContact O-OH 3.15Å; V737-Y753 HydrophobicContact CG2-CE1 4Å; V737-Y753 WeakPolarHBondContact CG2-OH 3.26Å; V737-Y753 PolarHBondContact N-OH 2.92Å; Y753-L757 HydrophobicContact CD1-CD1 3.44Å; Y753-L757 VanDerWaalsContact CD1-CD1 3.44Å; Y753-L757 HydrophobicContact CE1-CD1 3.62Å
754	N	80.8	Confident	82.1	Confident	35 Å²	35	27.6 Å²	27.6	19%	0.187	14%	0.136	C	C	.	.			trans	-168.7	163.4	170.5	72.3	95.2	0	0	0	110.3	E746 S756 L757 M817	E746-N754 PolarHBondContact OE1-ND2 3.4Å; E746-N754 VanDerWaalsContact OE1-ND2 3.15Å; N754-S756 PolarHBondContact O-N 2.82Å; N754-S756 VanDerWaalsContact O-N 3.15Å; N754-S756 WeakPolarHBondContact OD1-CA 3.47Å; N754-S756 VanDerWaalsContact OD1-CB 3.25Å; N754-S756 WeakPolarHBondContact OD1-CB 3.27Å; N754-S756 PolarHBondContact OD1-N 3.27Å; N754-S756 PolarHBondContact OD1-OG 3.49Å; N754-L757 VanDerWaalsContact O-CB 3.27Å; N754-L757 WeakPolarHBondContact O-CB 3.32Å; N754-L757 PolarHBondContact O-N 3.46Å; N754-L757 VanDerWaalsContact O-N 3.08Å; N754-M817 PolarHBondContact ND2-SD 3.04Å
755	R	90	Very high	82.8	Confident	107 Å²	107	27.6 Å²	27.6	40%	0.404	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-33.1	179.2	-64.4	178.5	-173.8	-179.2	5.2	114.3	H691 N694 V696 I727 L757 D758	H691-R755 HydrophobicContact CB-CG 4.21Å; H691-R755 PolarHBondContact CE1-O 3.14Å; H691-R755 PolarHBondContact O-NE 2.93Å; H691-R755 VanDerWaalsContact O-NE 3.15Å; H691-R755 PolarHBondContact O-NH2 3.23Å; N694-R755 PolarHBondContact OD1-NH2 3.17Å; V696-R755 HydrophobicContact CG2-CG 4.48Å; I727-R755 HydrophobicContact CD1-CG 3.49Å; I727-R755 VanDerWaalsContact CD1-CG 3.49Å; R755-L757 PolarHBondContact O-N 3.05Å; R755-D758 PolarHBondContact O-N 2.87Å
756	S	90.7	Very high	83.5	Confident	16 Å²	16	27.6 Å²	27.6	11%	0.112	14%	0.136	C	C	.	.	H	α-helix	trans	-75.4	-10.4	-177.4	81.9	0	0	0	0	113.8	E746 N754 M759 W760 R820	E746-S756 PolarHBondContact OE1-OG 2.92Å; N754-S756 PolarHBondContact O-N 2.82Å; N754-S756 VanDerWaalsContact O-N 3.15Å; N754-S756 WeakPolarHBondContact OD1-CA 3.47Å; N754-S756 VanDerWaalsContact OD1-CB 3.25Å; N754-S756 WeakPolarHBondContact OD1-CB 3.27Å; N754-S756 PolarHBondContact OD1-N 3.27Å; N754-S756 PolarHBondContact OD1-OG 3.49Å; S756-M759 WeakPolarHBondContact O-CB 3.41Å; S756-M759 PolarHBondContact O-N 2.92Å; S756-W760 PolarHBondContact O-N 3.48Å; S756-W760 VanDerWaalsContact O-N 3.14Å; S756-R820 VanDerWaalsContact C-NH1 3.31Å; S756-R820 WeakPolarHBondContact O-CD 3.44Å; S756-R820 PolarHBondContact O-NH1 2.95Å; S756-R820 PolarHBondContact OG-NH1 2.83Å
757	L	89.9	Confident	84.2	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-56.1	169	-173.8	174.7	0	0	0	109.9	A744 V747 Y753 N754 R755 M759 W760 S761	A744-L757 HydrophobicContact CB-CB 4.42Å; A744-L757 HydrophobicContact CB-CG 4.09Å; V747-L757 HydrophobicContact CG2-CD1 3.55Å; V747-L757 HydrophobicContact CG2-CG 3.96Å; Y753-L757 HydrophobicContact CD1-CD1 3.44Å; Y753-L757 VanDerWaalsContact CD1-CD1 3.44Å; Y753-L757 HydrophobicContact CE1-CD1 3.62Å; N754-L757 VanDerWaalsContact O-CB 3.27Å; N754-L757 WeakPolarHBondContact O-CB 3.32Å; N754-L757 PolarHBondContact O-N 3.46Å; N754-L757 VanDerWaalsContact O-N 3.08Å; R755-L757 PolarHBondContact O-N 3.05Å; L757-M759 PolarHBondContact O-N 3.2Å; L757-M759 VanDerWaalsContact O-N 3.15Å; L757-W760 WeakPolarHBondContact O-CB 3.26Å; L757-W760 PolarHBondContact O-N 2.86Å; L757-S761 PolarHBondContact O-N 2.84Å; L757-S761 PolarHBondContact O-OG 3.21Å
758	D	93.6	Very high	85	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.6	-34.5	-179.3	-57.4	-25.9	0	0	0	111.1	L687 H691 V696 H697 C698 R755 S761 V762	L687-D758 HydrophobicContact CD1-CB 4.29Å; L687-D758 HydrophobicContact CD2-CB 3.87Å; H691-D758 IonicContact CD2-OD2 2.69Å; H691-D758 IonicContact CE1-OD2 2.76Å; H691-D758 IonicContact NE2-OD2 3.52Å; H691-D758 PolarHBondContact NE2-OD2 2.89Å; V696-D758 WeakPolarHBondContact CA-OD2 3.3Å; V696-D758 WeakPolarHBondContact CG1-OD1 3.37Å; V696-D758 WeakPolarHBondContact CG1-OD2 3.48Å; H697-D758 PolarHBondContact N-OD1 3.25Å; H697-D758 VanDerWaalsContact N-OD1 3.14Å; H697-D758 PolarHBondContact N-OD2 3.14Å; C698-D758 PolarHBondContact N-OD1 3.42Å; R755-D758 PolarHBondContact O-N 2.87Å; D758-S761 CarbonylContact O-C 3.59Å; D758-S761 WeakPolarHBondContact O-CB 3.21Å; D758-S761 PolarHBondContact O-N 3.18Å; D758-V762 WeakPolarHBondContact O-CG2 3.12Å; D758-V762 PolarHBondContact O-N 2.87Å
759	M	97.3	Very high	86.4	Confident	2 Å²	2	25 Å²	25	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-66.2	-35.6	176.4	-57.6	-56.9	-54	0	0	113.4	L684 L687 S756 L757 S761 V762 G763 L812 F821 V823 S826	L684-M759 HydrophobicContact CD2-CE 3.66Å; L684-M759 HydrophobicContact CD2-SD 4.27Å; L687-M759 HydrophobicContact CD1-SD 4.48Å; S756-M759 WeakPolarHBondContact O-CB 3.41Å; S756-M759 PolarHBondContact O-N 2.92Å; L757-M759 PolarHBondContact O-N 3.2Å; L757-M759 VanDerWaalsContact O-N 3.15Å; M759-S761 VanDerWaalsContact C-N 3.35Å; M759-V762 PolarHBondContact O-N 3.44Å; M759-G763 PolarHBondContact O-N 2.91Å; M759-G763 VanDerWaalsContact O-N 3.1Å; M759-L812 HydrophobicContact CB-CD2 4.3Å; M759-L812 HydrophobicContact CE-CD2 3.62Å; M759-F821 WeakPolarHBondContact CG-O 3.29Å; M759-V823 HydrophobicContact CE-CG2 4.46Å; M759-V823 HydrophobicContact SD-CB 4.3Å; M759-V823 HydrophobicContact SD-CG2 3.47Å; M759-V823 WeakPolarHBondContact SD-CG2 3.48Å; M759-S826 VanDerWaalsContact CE-OG 3.29Å; M759-S826 WeakPolarHBondContact CE-OG 3.47Å
760	W	95.3	Very high	87.8	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.3	-44.4	171.4	172.6	-83.2	0	0	0	110.3	L743 A744 P745 S756 L757 V762 G763 V764 F776 I786 A789 L813	L743-W760 PolarHBondContact O-NE1 3.06Å; A744-W760 HydrophobicContact CB-CB 3.81Å; A744-W760 HydrophobicContact CB-CD2 4.37Å; A744-W760 HydrophobicContact CB-CG 3.79Å; P745-W760 HydrophobicContact CG-CD2 4.49Å; P745-W760 HydrophobicContact CG-CE3 4.1Å; P745-W760 HydrophobicContact CG-CH2 3.46Å; P745-W760 VanDerWaalsContact CG-CH2 3.46Å; P745-W760 HydrophobicContact CG-CZ2 3.9Å; P745-W760 HydrophobicContact CG-CZ3 3.57Å; S756-W760 PolarHBondContact O-N 3.48Å; S756-W760 VanDerWaalsContact O-N 3.14Å; L757-W760 WeakPolarHBondContact O-CB 3.26Å; L757-W760 PolarHBondContact O-N 2.86Å; W760-V762 VanDerWaalsContact C-N 3.33Å; W760-V762 PolarHBondContact O-N 2.88Å; W760-G763 WeakPolarHBondContact O-CA 3.47Å; W760-G763 PolarHBondContact O-N 3.13Å; W760-V764 PolarHBondContact O-N 3.02Å; W760-F776 AromaticContact CH2-CZ 3.96Å; W760-F776 HydrophobicContact CH2-CZ 3.96Å; W760-F776 HydrophobicContact CZ2-CE1 4.47Å; W760-F776 AromaticContact CZ2-CE2 3.79Å; W760-F776 HydrophobicContact CZ2-CE2 3.79Å; W760-F776 AromaticContact CZ2-CZ 3.42Å; W760-F776 HydrophobicContact CZ2-CZ 3.42Å; W760-F776 VanDerWaalsContact CZ2-CZ 3.42Å; W760-I786 HydrophobicContact CH2-CG2 4.46Å; W760-I786 HydrophobicContact CZ2-CB 4.42Å; W760-I786 HydrophobicContact CZ2-CG1 4.41Å; W760-I786 HydrophobicContact CZ2-CG2 3.88Å; W760-A789 HydrophobicContact CH2-CB 4.32Å; W760-L813 HydrophobicContact CD2-CD2 3.79Å; W760-L813 HydrophobicContact CE3-CB 4.34Å; W760-L813 HydrophobicContact CE3-CD2 4.04Å; W760-L813 HydrophobicContact CG-CD2 4.16Å; W760-L813 HydrophobicContact CZ2-CD2 4.43Å; W760-L813 VanDerWaalsContact CZ3-C 3.4Å; W760-L813 HydrophobicContact CZ3-CB 4.17Å; W760-L813 HydrophobicContact CZ3-CD2 4.47Å; W760-L813 VanDerWaalsContact CZ3-O 3.27Å; W760-L813 WeakPolarHBondContact CZ3-O 3.09Å; W760-L813 WeakPolarHBondContact O-CD2 3.42Å
761	S	95	Very high	89.3	Confident	2 Å²	2	16.9 Å²	16.9	1%	0.014	8%	0.078	C	C	.	.	H	α-helix	trans	-63.8	-35.1	177.1	-50.6	0	0	0	0	112.5	L700 Y742 L757 D758 M759 G763 V764 I765	L700-S761 WeakPolarHBondContact O-CB 3.33Å; Y742-S761 PolarHBondContact O-OG 2.89Å; L757-S761 PolarHBondContact O-N 2.84Å; L757-S761 PolarHBondContact O-OG 3.21Å; D758-S761 CarbonylContact O-C 3.59Å; D758-S761 WeakPolarHBondContact O-CB 3.21Å; D758-S761 PolarHBondContact O-N 3.18Å; M759-S761 VanDerWaalsContact C-N 3.35Å; S761-G763 VanDerWaalsContact C-N 3.33Å; S761-G763 PolarHBondContact O-N 2.87Å; S761-V764 PolarHBondContact O-N 2.89Å; S761-I765 VanDerWaalsContact O-CG1 3.28Å; S761-I765 WeakPolarHBondContact O-CG1 3.24Å; S761-I765 PolarHBondContact O-N 3.3Å
762	V	98.3	Very high	90.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-59.6	-42.3	167.6	175.2	0	0	0	0	111.1	V680 I683 L684 L687 L700 D758 M759 W760 V764 I765 V766 L812	V680-V762 HydrophobicContact CG1-CG1 4.19Å; I683-V762 HydrophobicContact CG2-CG2 4.02Å; L684-V762 HydrophobicContact CD2-CG1 4.37Å; L687-V762 HydrophobicContact CD1-CG2 3.52Å; L700-V762 HydrophobicContact CD2-CG2 3.63Å; D758-V762 WeakPolarHBondContact O-CG2 3.12Å; D758-V762 PolarHBondContact O-N 2.87Å; M759-V762 PolarHBondContact O-N 3.44Å; W760-V762 VanDerWaalsContact C-N 3.33Å; W760-V762 PolarHBondContact O-N 2.88Å; V762-V764 VanDerWaalsContact C-N 3.31Å; V762-V764 PolarHBondContact O-N 3.42Å; V762-I765 PolarHBondContact O-N 3.36Å; V762-V766 HydrophobicContact CG1-CG2 4.26Å; V762-V766 VanDerWaalsContact O-CG2 3.29Å; V762-V766 WeakPolarHBondContact O-CG2 3.5Å; V762-V766 PolarHBondContact O-N 3.28Å; V762-L812 HydrophobicContact CG1-CD1 4.06Å
763	G	97.6	Very high	91.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58	-41.6	174.5	0	0	0	0	0	113.2	M759 W760 S761 Y767	M759-G763 PolarHBondContact O-N 2.91Å; M759-G763 VanDerWaalsContact O-N 3.1Å; W760-G763 WeakPolarHBondContact O-CA 3.47Å; W760-G763 PolarHBondContact O-N 3.13Å; S761-G763 VanDerWaalsContact C-N 3.33Å; S761-G763 PolarHBondContact O-N 2.87Å; G763-Y767 WeakPolarHBondContact O-CB 3.47Å; G763-Y767 PolarHBondContact O-N 3.31Å
764	V	95	Very high	92.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.9	-41.9	174.1	-177.5	0	0	0	0	111.3	Y742 W760 S761 V762 V766 Y767 V768 P775 F776 L813	Y742-V764 HydrophobicContact CD1-CB 3.86Å; Y742-V764 HydrophobicContact CD1-CG1 3.43Å; Y742-V764 VanDerWaalsContact CD1-CG1 3.43Å; Y742-V764 HydrophobicContact CE1-CB 4.36Å; Y742-V764 HydrophobicContact CE1-CG1 3.62Å; Y742-V764 HydrophobicContact CG-CG1 4.33Å; W760-V764 PolarHBondContact O-N 3.02Å; S761-V764 PolarHBondContact O-N 2.89Å; V762-V764 VanDerWaalsContact C-N 3.31Å; V762-V764 PolarHBondContact O-N 3.42Å; V764-V766 PolarHBondContact O-N 3.27Å; V764-Y767 PolarHBondContact O-N 2.94Å; V764-V768 HydrophobicContact CG1-CG2 4.07Å; V764-V768 WeakPolarHBondContact O-CB 3.17Å; V764-V768 VanDerWaalsContact O-CG2 3.29Å; V764-V768 WeakPolarHBondContact O-CG2 3.48Å; V764-V768 PolarHBondContact O-N 2.93Å; V764-P775 HydrophobicContact CG1-CG 4.06Å; V764-P775 HydrophobicContact CG2-CG 4.23Å; V764-F776 HydrophobicContact CG2-CE2 4.44Å; V764-L813 HydrophobicContact CG2-CD2 3.88Å
765	I	96.8	Very high	92.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.2	-46.2	175.8	-70.4	161.7	0	0	0	111	M659 I683 L700 P702 S761 V762 V768 S769	M659-I765 HydrophobicContact CE-CG2 4.22Å; M659-I765 HydrophobicContact SD-CG2 4.04Å; I683-I765 HydrophobicContact CD1-CG2 4.29Å; L700-I765 HydrophobicContact CD2-CD1 3.94Å; L700-I765 HydrophobicContact CG-CD1 3.94Å; P702-I765 HydrophobicContact CG-CG1 4.11Å; S761-I765 VanDerWaalsContact O-CG1 3.28Å; S761-I765 WeakPolarHBondContact O-CG1 3.24Å; S761-I765 PolarHBondContact O-N 3.3Å; V762-I765 PolarHBondContact O-N 3.36Å; I765-V768 PolarHBondContact O-N 3.34Å; I765-S769 VanDerWaalsContact O-CB 3.24Å; I765-S769 WeakPolarHBondContact O-CB 3.39Å; I765-S769 PolarHBondContact O-N 3.27Å; I765-S769 PolarHBondContact O-OG 2.92Å
766	V	98.3	Very high	91.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-60.3	-48.8	176.1	178.3	0	0	0	0	110.1	V680 V762 V764 V768 S769 L770 I809 L812 W831	V680-V766 HydrophobicContact CG1-CG2 4.07Å; V680-V766 HydrophobicContact CG2-CG2 3.75Å; V762-V766 HydrophobicContact CG1-CG2 4.26Å; V762-V766 VanDerWaalsContact O-CG2 3.29Å; V762-V766 WeakPolarHBondContact O-CG2 3.5Å; V762-V766 PolarHBondContact O-N 3.28Å; V764-V766 PolarHBondContact O-N 3.27Å; V766-V768 PolarHBondContact O-N 2.71Å; V766-S769 PolarHBondContact O-N 3.31Å; V766-L770 HydrophobicContact CG1-CD1 3.88Å; V766-L770 HydrophobicContact CG1-CG 4.46Å; V766-L770 WeakPolarHBondContact O-CG 3.49Å; V766-L770 PolarHBondContact O-N 2.83Å; V766-L770 VanDerWaalsContact O-N 3.08Å; V766-I809 HydrophobicContact CB-CG1 4.1Å; V766-I809 HydrophobicContact CG1-CD1 3.91Å; V766-I809 HydrophobicContact CG1-CG1 3.62Å; V766-L812 HydrophobicContact CG2-CD1 4.5Å; V766-W831 HydrophobicContact CG1-CH2 3.93Å; V766-W831 HydrophobicContact CG1-CZ3 4.14Å
767	Y	96.2	Very high	90.6	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.016	4%	0.038	C	C	.	.	H	α-helix	trans	-58.4	-50.7	179.2	-176.6	-75.2	0	0	0	111.9	G763 V764 S769 L770 S771 T773 F774 P775 M792 Y793 W798 I809	G763-Y767 WeakPolarHBondContact O-CB 3.47Å; G763-Y767 PolarHBondContact O-N 3.31Å; V764-Y767 PolarHBondContact O-N 2.94Å; Y767-S769 PolarHBondContact O-N 3.39Å; Y767-L770 PolarHBondContact O-N 3.06Å; Y767-S771 WeakPolarHBondContact CE1-OG 3.18Å; Y767-S771 WeakPolarHBondContact O-CB 3.41Å; Y767-S771 PolarHBondContact O-N 3.43Å; Y767-S771 PolarHBondContact O-OG 3.09Å; Y767-T773 WeakPolarHBondContact CD1-O 3.41Å; Y767-T773 VanDerWaalsContact CE1-O 3.31Å; Y767-T773 WeakPolarHBondContact CE1-O 3.25Å; Y767-F774 WeakPolarHBondContact CE1-O 3.49Å; Y767-P775 HydrophobicContact CD1-CB 3.8Å; Y767-P775 HydrophobicContact CD1-CG 4.13Å; Y767-P775 HydrophobicContact CD2-CB 3.97Å; Y767-P775 VanDerWaalsContact CE1-CA 3.5Å; Y767-P775 HydrophobicContact CE1-CB 3.98Å; Y767-P775 HydrophobicContact CE2-CB 4.12Å; Y767-P775 HydrophobicContact CG-CB 3.83Å; Y767-P775 HydrophobicContact CG-CG 4.27Å; Y767-M792 PolarHBondContact OH-O 2.79Å; Y767-M792 VanDerWaalsContact OH-O 3.08Å; Y767-Y793 HydrophobicContact CD2-CD1 4.4Å; Y767-Y793 HydrophobicContact CD2-CE1 4Å; Y767-Y793 AromaticContact CE2-CD1 3.92Å; Y767-Y793 HydrophobicContact CE2-CD1 3.92Å; Y767-Y793 AromaticContact CE2-CE1 3.96Å; Y767-Y793 HydrophobicContact CE2-CE1 3.96Å; Y767-W798 HydrophobicContact CD1-CZ2 4.25Å; Y767-W798 AromaticContact CD2-CH2 3.85Å; Y767-W798 HydrophobicContact CD2-CH2 3.85Å; Y767-W798 AromaticContact CD2-CZ2 3.37Å; Y767-W798 HydrophobicContact CD2-CZ2 3.37Å; Y767-W798 HydrophobicContact CE1-CZ2 4.2Å; Y767-W798 AromaticContact CE2-CE2 3.79Å; Y767-W798 HydrophobicContact CE2-CH2 4.21Å; Y767-W798 AromaticContact CE2-CZ2 3.34Å; Y767-W798 HydrophobicContact CE2-CZ2 3.34Å; Y767-W798 AromaticContact CE2-NE1 3.91Å; Y767-W798 HydrophobicContact CG-CH2 4.29Å; Y767-W798 AromaticContact CG-CZ2 3.83Å; Y767-W798 HydrophobicContact CG-CZ2 3.83Å; Y767-W798 AromaticContact CZ-CZ2 3.77Å; Y767-W798 AromaticContact CZ-NE1 3.79Å; Y767-I809 HydrophobicContact CD2-CG2 4.4Å
768	V	92.1	Very high	89.1	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.3	-42.5	-179.1	172.6	0	0	0	0	110.9	I663 V764 I765 V766 L770 G772 T773 F774	I663-V768 HydrophobicContact CD1-CG1 4.48Å; V764-V768 HydrophobicContact CG1-CG2 4.07Å; V764-V768 WeakPolarHBondContact O-CB 3.17Å; V764-V768 VanDerWaalsContact O-CG2 3.29Å; V764-V768 WeakPolarHBondContact O-CG2 3.48Å; V764-V768 PolarHBondContact O-N 2.93Å; I765-V768 PolarHBondContact O-N 3.34Å; V766-V768 PolarHBondContact O-N 2.71Å; V768-L770 PolarHBondContact O-N 3.1Å; V768-G772 WeakPolarHBondContact O-CA 3.39Å; V768-G772 PolarHBondContact O-N 3.29Å; V768-T773 WeakPolarHBondContact CA-O 3.48Å; V768-T773 WeakPolarHBondContact CG2-O 3.43Å; V768-F774 HydrophobicContact CG2-CD1 3.87Å; V768-F774 HydrophobicContact CG2-CE1 4.04Å; V768-F774 HydrophobicContact CG2-CG 4.38Å
769	S	96	Very high	87.4	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.9	-45.4	179.4	-59	0	0	0	0	112.4	M659 R670 L671 I765 V766 Y767	M659-S769 VanDerWaalsContact CE-OG 3.22Å; M659-S769 WeakPolarHBondContact CE-OG 3.47Å; R670-S769 CarbonylContact C-O 3.36Å; R670-S769 WeakPolarHBondContact CA-O 3.42Å; R670-S769 WeakPolarHBondContact CB-O 3.24Å; L671-S769 PolarHBondContact N-O 2.82Å; I765-S769 VanDerWaalsContact O-CB 3.24Å; I765-S769 WeakPolarHBondContact O-CB 3.39Å; I765-S769 PolarHBondContact O-N 3.27Å; I765-S769 PolarHBondContact O-OG 2.92Å; V766-S769 PolarHBondContact O-N 3.31Å; Y767-S769 PolarHBondContact O-N 3.39Å
770	L	96.4	Very high	85.8	Confident	2 Å²	2	20 Å²	20	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-80	-30.3	-175.5	-64.3	179.5	0	0	0	113.6	R670 E673 T676 V766 Y767 V768 W798 I801 A805 W831	R670-L770 WeakPolarHBondContact CD-O 3.45Å; R670-L770 PolarHBondContact NH1-O 2.96Å; E673-L770 HydrophobicContact CB-CD2 4.37Å; E673-L770 HydrophobicContact CG-CD1 4.5Å; E673-L770 HydrophobicContact CG-CD2 3.64Å; T676-L770 HydrophobicContact CG2-CD2 3.96Å; T676-L770 HydrophobicContact CG2-CG 4.17Å; T676-L770 WeakPolarHBondContact OG1-CD2 3.42Å; V766-L770 HydrophobicContact CG1-CD1 3.88Å; V766-L770 HydrophobicContact CG1-CG 4.46Å; V766-L770 WeakPolarHBondContact O-CG 3.49Å; V766-L770 PolarHBondContact O-N 2.83Å; V766-L770 VanDerWaalsContact O-N 3.08Å; Y767-L770 PolarHBondContact O-N 3.06Å; V768-L770 PolarHBondContact O-N 3.1Å; L770-W798 HydrophobicContact CB-CH2 4.11Å; L770-W798 HydrophobicContact CB-CZ3 4.47Å; L770-W798 HydrophobicContact CD1-CH2 4.47Å; L770-W798 HydrophobicContact CD1-CZ3 4.39Å; L770-I801 HydrophobicContact CB-CD1 3.95Å; L770-I801 HydrophobicContact CD1-CG2 4.16Å; L770-A805 HydrophobicContact CD1-CB 3.78Å; L770-W831 HydrophobicContact CD1-CH2 4.33Å; L770-W831 HydrophobicContact CD1-CZ2 3.93Å; L770-W831 HydrophobicContact CD2-CZ2 4.36Å
771	S	90.4	Very high	84.9	Confident	8 Å²	8	24.6 Å²	24.6	6%	0.056	13%	0.127	C	C	.	.	H	α-helix	trans	-99	-32.7	-174	65.1	0	0	0	0	115.2	Y767 T773	Y767-S771 WeakPolarHBondContact CE1-OG 3.18Å; Y767-S771 WeakPolarHBondContact O-CB 3.41Å; Y767-S771 PolarHBondContact O-N 3.43Å; Y767-S771 PolarHBondContact O-OG 3.09Å; S771-T773 VanDerWaalsContact C-N 3.29Å; S771-T773 PolarHBondContact OG-N 3.5Å; S771-T773 PolarHBondContact OG-O 3.06Å; S771-T773 VanDerWaalsContact OG-O 3.11Å; S771-T773 PolarHBondContact OG-OG1 2.86Å
772	G	83.9	Confident	83.8	Confident	7 Å²	7	25.2 Å²	25.2	7%	0.072	13%	0.13	C	C	.	.	S	Bend	trans	73.3	18	-165.1	0	0	0	0	0	114.1	L400 S669 V768	L400-G772 WeakPolarHBondContact CD1-O 3.02Å; L400-G772 VanDerWaalsContact CG-O 3.31Å; L400-G772 WeakPolarHBondContact CG-O 3.49Å; S669-G772 VanDerWaalsContact O-CA 3.23Å; S669-G772 WeakPolarHBondContact O-CA 3.41Å; V768-G772 WeakPolarHBondContact O-CA 3.39Å; V768-G772 PolarHBondContact O-N 3.29Å
773	T	81.1	Confident	82.7	Confident	20 Å²	20	26.5 Å²	26.5	12%	0.123	14%	0.137	C	C	.	.	S	Bend	trans	-137.5	164.4	176.7	74.1	0	0	0	0	111.5	N397 I398 Y767 V768 S771	N397-T773 HydrophobicContact CB-CG2 4.39Å; I398-T773 WeakPolarHBondContact O-CG2 3.28Å; Y767-T773 WeakPolarHBondContact CD1-O 3.41Å; Y767-T773 VanDerWaalsContact CE1-O 3.31Å; Y767-T773 WeakPolarHBondContact CE1-O 3.25Å; V768-T773 WeakPolarHBondContact CA-O 3.48Å; V768-T773 WeakPolarHBondContact CG2-O 3.43Å; S771-T773 VanDerWaalsContact C-N 3.29Å; S771-T773 PolarHBondContact OG-N 3.5Å; S771-T773 PolarHBondContact OG-O 3.06Å; S771-T773 VanDerWaalsContact OG-O 3.11Å; S771-T773 PolarHBondContact OG-OG1 2.86Å
774	F	81.9	Confident	81.8	Confident	40 Å²	40	30.4 Å²	30.4	18%	0.175	16%	0.157	C	C	.	.			trans	-81.6	151.4	170.7	-76.2	-84.4	0	0	0	111.4	V403 A741 Y742 Y767 V768	V403-F774 HydrophobicContact CG2-CE2 3.74Å; V403-F774 HydrophobicContact CG2-CZ 4.27Å; A741-F774 HydrophobicContact CB-CD1 3.75Å; A741-F774 HydrophobicContact CB-CE1 3.7Å; Y742-F774 HydrophobicContact CE1-CE1 4.26Å; Y742-F774 AromaticContact CE2-CE1 3.99Å; Y742-F774 HydrophobicContact CE2-CE1 3.99Å; Y742-F774 HydrophobicContact CE2-CZ 4.48Å; Y742-F774 AromaticContact CZ-CE1 3.68Å; Y767-F774 WeakPolarHBondContact CE1-O 3.49Å; V768-F774 HydrophobicContact CG2-CD1 3.87Å; V768-F774 HydrophobicContact CG2-CE1 4.04Å; V768-F774 HydrophobicContact CG2-CG 4.38Å
775	P	79.1	Confident	80.9	Confident	7 Å²	7	31.2 Å²	31.2	5%	0.045	16%	0.161	C	C	.	.	S	Bend	trans	-72.9	-27.6	177.9	26.1	-31.2	0	0	0	113.1	V764 Y767 F791 L813	V764-P775 HydrophobicContact CG1-CG 4.06Å; V764-P775 HydrophobicContact CG2-CG 4.23Å; Y767-P775 HydrophobicContact CD1-CB 3.8Å; Y767-P775 HydrophobicContact CD1-CG 4.13Å; Y767-P775 HydrophobicContact CD2-CB 3.97Å; Y767-P775 VanDerWaalsContact CE1-CA 3.5Å; Y767-P775 HydrophobicContact CE1-CB 3.98Å; Y767-P775 HydrophobicContact CE2-CB 4.12Å; Y767-P775 HydrophobicContact CG-CB 3.83Å; Y767-P775 HydrophobicContact CG-CG 4.27Å; P775-F791 HydrophobicContact CB-CB 3.83Å; P775-F791 HydrophobicContact CB-CG 4.31Å; P775-F791 WeakPolarHBondContact O-CA 3.37Å; P775-F791 WeakPolarHBondContact O-CB 3.49Å; P775-L813 HydrophobicContact CB-CD1 4.49Å
776	F	79.6	Confident	80.2	Confident	8 Å²	8	31.3 Å²	31.3	4%	0.035	16%	0.162	C	C	.	.	S	Bend	trans	-108.6	139.3	-179.3	-49.4	-64	0	0	0	110.6	W760 V764 I782 Q785 I786 F791	W760-F776 AromaticContact CH2-CZ 3.96Å; W760-F776 HydrophobicContact CH2-CZ 3.96Å; W760-F776 HydrophobicContact CZ2-CE1 4.47Å; W760-F776 AromaticContact CZ2-CE2 3.79Å; W760-F776 HydrophobicContact CZ2-CE2 3.79Å; W760-F776 AromaticContact CZ2-CZ 3.42Å; W760-F776 HydrophobicContact CZ2-CZ 3.42Å; W760-F776 VanDerWaalsContact CZ2-CZ 3.42Å; V764-F776 HydrophobicContact CG2-CE2 4.44Å; F776-I782 HydrophobicContact CB-CD1 4.27Å; F776-I782 HydrophobicContact CB-CG1 3.8Å; F776-Q785 HydrophobicContact CB-CB 4.44Å; F776-Q785 HydrophobicContact CD1-CB 3.92Å; F776-I786 HydrophobicContact CD1-CG1 4.34Å; F776-I786 HydrophobicContact CD2-CD1 4.33Å; F776-I786 HydrophobicContact CD2-CG1 3.7Å; F776-I786 HydrophobicContact CE1-CG1 4.36Å; F776-I786 HydrophobicContact CE2-CG1 3.76Å; F776-I786 HydrophobicContact CG-CG1 4.03Å; F776-I786 HydrophobicContact CZ-CG1 4.11Å; F776-F791 HydrophobicContact CD1-CB 4.13Å; F776-F791 HydrophobicContact CE1-CB 3.92Å; F776-F791 AromaticContact CE1-CD1 3.88Å; F776-F791 HydrophobicContact CE1-CD1 3.88Å; F776-F791 HydrophobicContact CE1-CG 4.36Å; F776-F791 HydrophobicContact CZ-CD1 4.23Å
777	N	68.9	Low	79.4	Confident	43 Å²	43	34.3 Å²	34.3	23%	0.23	18%	0.176	C	C	.	.			trans	-82.6	119.8	179	-176.3	14.9	0	0	0	110.9	D779 E780 Q785	N777-D779 VanDerWaalsContact C-N 3.3Å; N777-D779 PolarHBondContact O-N 3.46Å; N777-D779 PolarHBondContact OD1-N 2.87Å; N777-E780 HydrophobicContact CB-CB 4.45Å; N777-E780 PolarHBondContact ND2-OE1 3.32Å; N777-E780 PolarHBondContact O-N 2.67Å; N777-Q785 PolarHBondContact O-NE2 1.76Å
778	E	58.4	Low	78.7	Confident	57 Å²	57	38.6 Å²	38.6	27%	0.266	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.4	176.4	-55.4	177.9	138.4	0	0	113.4	Q336 E780	Q336-E778 VanDerWaalsContact CD-O 3.23Å; Q336-E778 WeakPolarHBondContact CG-O 3.01Å; Q336-E778 PolarHBondContact NE2-O 2.86Å; E778-E780 PolarHBondContact O-N 2.89Å
779	D	57.7	Low	78.2	Confident	98 Å²	98	39.8 Å²	39.8	52%	0.524	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.7	177.5	-72.1	-24.4	0	0	0	112.8	Q336 N777	Q336-D779 PolarHBondContact NE2-OD1 2.73Å; N777-D779 VanDerWaalsContact C-N 3.3Å; N777-D779 PolarHBondContact O-N 3.46Å; N777-D779 PolarHBondContact OD1-N 2.87Å
780	E	63.7	Low	77.6	Confident	125 Å²	125	42.3 Å²	42.3	58%	0.584	23%	0.23	S	C	*	.	S	Bend	trans	-125.3	176.3	176.3	-74.7	172.6	-117.9	0	0	110.4	N777 E778 I782	N777-E780 HydrophobicContact CB-CB 4.45Å; N777-E780 PolarHBondContact ND2-OE1 3.32Å; N777-E780 PolarHBondContact O-N 2.67Å; E778-E780 PolarHBondContact O-N 2.89Å; E780-I782 PolarHBondContact O-N 2.66Å
781	D	76.7	Confident	77	Confident	96 Å²	96	44.1 Å²	44.1	51%	0.513	24%	0.238	S	C	.	.			trans	-70.4	97.9	177.5	-168.3	-20.1	0	0	0	110.4	N783 D784 Q785	D781-N783 PolarHBondContact O-N 2.73Å; D781-N783 WeakPolarHBondContact OD1-CA 3.18Å; D781-N783 VanDerWaalsContact OD1-CB 3.29Å; D781-N783 WeakPolarHBondContact OD1-CB 3.32Å; D781-N783 PolarHBondContact OD1-N 3.27Å; D781-N783 PolarHBondContact OD1-ND2 3.32Å; D781-D784 HydrophobicContact CB-CB 4.18Å; D781-D784 PolarHBondContact O-N 2.76Å; D781-D784 PolarHBondContact OD1-N 3.41Å; D781-Q785 VanDerWaalsContact C-NE2 3.34Å; D781-Q785 WeakPolarHBondContact O-CG 3.44Å; D781-Q785 PolarHBondContact O-N 3.38Å; D781-Q785 PolarHBondContact O-NE2 2.4Å; D781-Q785 VanDerWaalsContact O-NE2 3.14Å
782	I	71.3	Confident	76.8	Confident	14 Å²	14	49.9 Å²	49.9	7%	0.072	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-27.6	179.2	-159.9	175.4	0	0	0	112.1	L338 F776 E780 I786	L338-I782 HydrophobicContact CD2-CG2 3.73Å; F776-I782 HydrophobicContact CB-CD1 4.27Å; F776-I782 HydrophobicContact CB-CG1 3.8Å; E780-I782 PolarHBondContact O-N 2.66Å; I782-I786 HydrophobicContact CD1-CD1 4.49Å; I782-I786 HydrophobicContact CG1-CD1 3.98Å; I782-I786 HydrophobicContact CG1-CG1 4.41Å; I782-I786 VanDerWaalsContact O-CB 3.3Å; I782-I786 WeakPolarHBondContact O-CB 3.34Å; I782-I786 WeakPolarHBondContact O-CD1 3.5Å; I782-I786 WeakPolarHBondContact O-CG1 3.28Å; I782-I786 PolarHBondContact O-N 3.15Å
783	N	75	Confident	77.1	Confident	27 Å²	27	52.2 Å²	52.2	14%	0.144	27%	0.272	C	S	.	.	H	α-helix	trans	-72.2	-40.2	178.8	-55.3	-79.4	0	0	0	110.9	L748 D781 Q787	L748-N783 HydrophobicContact CD1-CB 4.22Å; D781-N783 PolarHBondContact O-N 2.73Å; D781-N783 WeakPolarHBondContact OD1-CA 3.18Å; D781-N783 VanDerWaalsContact OD1-CB 3.29Å; D781-N783 WeakPolarHBondContact OD1-CB 3.32Å; D781-N783 PolarHBondContact OD1-N 3.27Å; D781-N783 PolarHBondContact OD1-ND2 3.32Å; N783-Q787 WeakPolarHBondContact O-CB 3.47Å; N783-Q787 WeakPolarHBondContact O-CG 3.27Å; N783-Q787 PolarHBondContact O-N 3.02Å
784	D	79.8	Confident	77.2	Confident	82 Å²	82	52.2 Å²	52.2	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-67.6	-44.6	174.4	-171.9	67.6	0	0	0	111	D781 I786 Q787 N788	D781-D784 HydrophobicContact CB-CB 4.18Å; D781-D784 PolarHBondContact O-N 2.76Å; D781-D784 PolarHBondContact OD1-N 3.41Å; D784-I786 PolarHBondContact O-N 2.91Å; D784-Q787 PolarHBondContact O-N 3.47Å; D784-Q787 VanDerWaalsContact O-N 3.14Å; D784-N788 WeakPolarHBondContact O-CB 3.36Å; D784-N788 PolarHBondContact O-N 2.86Å; D784-N788 PolarHBondContact O-ND2 3.03Å; D784-N788 PolarHBondContact OD1-ND2 3.01Å; D784-N788 PolarHBondContact OD2-ND2 3.27Å
785	Q	76.5	Confident	77.2	Confident	18 Å²	18	54.8 Å²	54.8	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-57.2	-49.1	175.3	-73.4	169.1	82.2	0	0	112.5	F776 N777 D781 N788 A789 A790	F776-Q785 HydrophobicContact CB-CB 4.44Å; F776-Q785 HydrophobicContact CD1-CB 3.92Å; N777-Q785 PolarHBondContact O-NE2 1.76Å; D781-Q785 VanDerWaalsContact C-NE2 3.34Å; D781-Q785 WeakPolarHBondContact O-CG 3.44Å; D781-Q785 PolarHBondContact O-N 3.38Å; D781-Q785 PolarHBondContact O-NE2 2.4Å; D781-Q785 VanDerWaalsContact O-NE2 3.14Å; Q785-N788 PolarHBondContact O-N 3.36Å; Q785-A789 CarbonylContact O-C 3.56Å; Q785-A789 VanDerWaalsContact O-CA 3.26Å; Q785-A789 WeakPolarHBondContact O-CA 3.48Å; Q785-A789 PolarHBondContact O-N 3.01Å; Q785-A790 HydrophobicContact CG-CB 4.46Å; Q785-A790 PolarHBondContact O-N 3.08Å
786	I	81.3	Confident	77.5	Confident	2 Å²	2	59 Å²	59	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-47.4	174	-73.4	168.3	0	0	0	110.1	P745 L748 W760 F776 I782 D784 N788 A789	P745-I786 HydrophobicContact CB-CG2 4.18Å; P745-I786 HydrophobicContact CG-CG2 3.75Å; P745-I786 VanDerWaalsContact CG-O 3.29Å; P745-I786 WeakPolarHBondContact CG-O 3.46Å; L748-I786 HydrophobicContact CD1-CB 4.09Å; L748-I786 HydrophobicContact CD1-CD1 4.45Å; L748-I786 HydrophobicContact CD1-CG2 3.67Å; W760-I786 HydrophobicContact CH2-CG2 4.46Å; W760-I786 HydrophobicContact CZ2-CB 4.42Å; W760-I786 HydrophobicContact CZ2-CG1 4.41Å; W760-I786 HydrophobicContact CZ2-CG2 3.88Å; F776-I786 HydrophobicContact CD1-CG1 4.34Å; F776-I786 HydrophobicContact CD2-CD1 4.33Å; F776-I786 HydrophobicContact CD2-CG1 3.7Å; F776-I786 HydrophobicContact CE1-CG1 4.36Å; F776-I786 HydrophobicContact CE2-CG1 3.76Å; F776-I786 HydrophobicContact CG-CG1 4.03Å; F776-I786 HydrophobicContact CZ-CG1 4.11Å; I782-I786 HydrophobicContact CD1-CD1 4.49Å; I782-I786 HydrophobicContact CG1-CD1 3.98Å; I782-I786 HydrophobicContact CG1-CG1 4.41Å; I782-I786 VanDerWaalsContact O-CB 3.3Å; I782-I786 WeakPolarHBondContact O-CB 3.34Å; I782-I786 WeakPolarHBondContact O-CD1 3.5Å; I782-I786 WeakPolarHBondContact O-CG1 3.28Å; I782-I786 PolarHBondContact O-N 3.15Å; D784-I786 PolarHBondContact O-N 2.91Å; I786-N788 VanDerWaalsContact C-N 3.25Å; I786-N788 PolarHBondContact O-N 3.33Å; I786-A789 PolarHBondContact O-N 3.23Å
787	Q	80.8	Confident	78	Confident	62 Å²	62	59.3 Å²	59.3	29%	0.29	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-27.6	-177.2	-85.7	-164.4	85	0	0	114.9	R749 N783 D784 V815	R749-Q787 VanDerWaalsContact CZ-OE1 3.29Å; R749-Q787 VanDerWaalsContact NH2-CB 3.26Å; R749-Q787 PolarHBondContact NH2-O 3.26Å; N783-Q787 WeakPolarHBondContact O-CB 3.47Å; N783-Q787 WeakPolarHBondContact O-CG 3.27Å; N783-Q787 PolarHBondContact O-N 3.02Å; D784-Q787 PolarHBondContact O-N 3.47Å; D784-Q787 VanDerWaalsContact O-N 3.14Å; Q787-V815 VanDerWaalsContact O-CG1 3.29Å; Q787-V815 WeakPolarHBondContact O-CG1 3.47Å
788	N	81.7	Confident	79.2	Confident	94 Å²	94	57.8 Å²	57.8	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-101.2	-8.1	178.6	-63.4	-33.5	0	0	0	113.1	D784 Q785 I786 A790	D784-N788 WeakPolarHBondContact O-CB 3.36Å; D784-N788 PolarHBondContact O-N 2.86Å; D784-N788 PolarHBondContact O-ND2 3.03Å; D784-N788 PolarHBondContact OD1-ND2 3.01Å; D784-N788 PolarHBondContact OD2-ND2 3.27Å; Q785-N788 PolarHBondContact O-N 3.36Å; I786-N788 VanDerWaalsContact C-N 3.25Å; I786-N788 PolarHBondContact O-N 3.33Å; N788-A790 HydrophobicContact CB-CB 4.41Å; N788-A790 PolarHBondContact O-N 3.48Å
789	A	82.7	Confident	80.8	Confident	25 Å²	25	63.9 Å²	63.9	21%	0.207	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	40	-164.6	0	0	0	0	0	113.1	W760 Q785 I786 F791 V815	W760-A789 HydrophobicContact CH2-CB 4.32Å; Q785-A789 CarbonylContact O-C 3.56Å; Q785-A789 VanDerWaalsContact O-CA 3.26Å; Q785-A789 WeakPolarHBondContact O-CA 3.48Å; Q785-A789 PolarHBondContact O-N 3.01Å; I786-A789 PolarHBondContact O-N 3.23Å; A789-F791 VanDerWaalsContact C-N 3.33Å; A789-F791 HydrophobicContact CB-CD1 4.34Å; A789-F791 HydrophobicContact CB-CE1 4.05Å; A789-F791 VanDerWaalsContact O-CD1 3.3Å; A789-F791 WeakPolarHBondContact O-CD1 3.49Å; A789-F791 PolarHBondContact O-N 3.44Å; A789-V815 HydrophobicContact CB-CG2 3.43Å; A789-V815 VanDerWaalsContact CB-CG2 3.43Å
790	A	82.1	Confident	82.5	Confident	53 Å²	53	65.2 Å²	65.2	44%	0.438	34%	0.338	S	S	.	.			trans	-80.6	81.3	174.9	0	0	0	0	0	110.1	Q785 N788	Q785-A790 HydrophobicContact CG-CB 4.46Å; Q785-A790 PolarHBondContact O-N 3.08Å; N788-A790 HydrophobicContact CB-CB 4.41Å; N788-A790 PolarHBondContact O-N 3.48Å
791	F	85.3	Confident	84	Confident	41 Å²	41	60 Å²	60	18%	0.18	31%	0.314	C	S	.	.			trans	-118.5	168.7	165.5	60.4	-92.3	0	0	0	109.4	P775 F776 A789 Y793 I809 L813	P775-F791 HydrophobicContact CB-CB 3.83Å; P775-F791 HydrophobicContact CB-CG 4.31Å; P775-F791 WeakPolarHBondContact O-CA 3.37Å; P775-F791 WeakPolarHBondContact O-CB 3.49Å; F776-F791 HydrophobicContact CD1-CB 4.13Å; F776-F791 HydrophobicContact CE1-CB 3.92Å; F776-F791 AromaticContact CE1-CD1 3.88Å; F776-F791 HydrophobicContact CE1-CD1 3.88Å; F776-F791 HydrophobicContact CE1-CG 4.36Å; F776-F791 HydrophobicContact CZ-CD1 4.23Å; A789-F791 VanDerWaalsContact C-N 3.33Å; A789-F791 HydrophobicContact CB-CD1 4.34Å; A789-F791 HydrophobicContact CB-CE1 4.05Å; A789-F791 VanDerWaalsContact O-CD1 3.3Å; A789-F791 WeakPolarHBondContact O-CD1 3.49Å; A789-F791 PolarHBondContact O-N 3.44Å; F791-Y793 HydrophobicContact CD2-CE2 4.43Å; F791-Y793 HydrophobicContact CE2-CE1 4.43Å; F791-Y793 AromaticContact CE2-CE2 3.87Å; F791-Y793 HydrophobicContact CE2-CE2 3.87Å; F791-Y793 AromaticContact CE2-CZ 3.68Å; F791-Y793 WeakPolarHBondContact CE2-OH 3.44Å; F791-I809 HydrophobicContact CE2-CG2 4.43Å; F791-L813 HydrophobicContact CD1-CB 4.37Å; F791-L813 HydrophobicContact CD1-CD1 3.94Å; F791-L813 HydrophobicContact CD2-CD1 4.46Å; F791-L813 HydrophobicContact CE1-CB 3.45Å; F791-L813 VanDerWaalsContact CE1-CB 3.45Å; F791-L813 HydrophobicContact CE1-CD1 3.65Å; F791-L813 HydrophobicContact CE1-CG 4.2Å; F791-L813 HydrophobicContact CE2-CD1 4.21Å; F791-L813 HydrophobicContact CG-CD1 4.35Å; F791-L813 HydrophobicContact CZ-CB 3.78Å; F791-L813 HydrophobicContact CZ-CD1 3.8Å; F791-L813 HydrophobicContact CZ-CG 4.39Å
792	M	86.4	Confident	85	Confident	129 Å²	129	56.9 Å²	56.9	64%	0.635	30%	0.3	S	S	*	.			trans	-140.1	166.6	-178.9	69.5	-179.1	-58	0	0	112.3	Y767 P794	Y767-M792 PolarHBondContact OH-O 2.79Å; Y767-M792 VanDerWaalsContact OH-O 3.08Å; M792-P794 HydrophobicContact CG-CG 4.26Å; M792-P794 WeakPolarHBondContact O-CD 3.4Å
793	Y	88.8	Confident	86.3	Confident	56 Å²	56	60.3 Å²	60.3	22%	0.22	32%	0.324	C	S	.	.			trans	-116.1	88.5	177.3	-61.4	-72	0	0	0	110.3	Y767 F791 W798 I806 I809 N810	Y767-Y793 HydrophobicContact CD2-CD1 4.4Å; Y767-Y793 HydrophobicContact CD2-CE1 4Å; Y767-Y793 AromaticContact CE2-CD1 3.92Å; Y767-Y793 HydrophobicContact CE2-CD1 3.92Å; Y767-Y793 AromaticContact CE2-CE1 3.96Å; Y767-Y793 HydrophobicContact CE2-CE1 3.96Å; F791-Y793 HydrophobicContact CD2-CE2 4.43Å; F791-Y793 HydrophobicContact CE2-CE1 4.43Å; F791-Y793 AromaticContact CE2-CE2 3.87Å; F791-Y793 HydrophobicContact CE2-CE2 3.87Å; F791-Y793 AromaticContact CE2-CZ 3.68Å; F791-Y793 WeakPolarHBondContact CE2-OH 3.44Å; Y793-W798 AromaticContact CD1-CD2 3.52Å; Y793-W798 HydrophobicContact CD1-CD2 3.52Å; Y793-W798 AromaticContact CD1-CE2 3.66Å; Y793-W798 AromaticContact CD1-CE3 3.67Å; Y793-W798 HydrophobicContact CD1-CE3 3.67Å; Y793-W798 HydrophobicContact CD1-CG 4.01Å; Y793-W798 HydrophobicContact CD1-CH2 4.16Å; Y793-W798 AromaticContact CD1-CZ2 3.99Å; Y793-W798 HydrophobicContact CD1-CZ2 3.99Å; Y793-W798 AromaticContact CD1-CZ3 3.98Å; Y793-W798 HydrophobicContact CD1-CZ3 3.98Å; Y793-W798 HydrophobicContact CE1-CD2 4.32Å; Y793-W798 HydrophobicContact CE1-CE3 4.11Å; Y793-W798 HydrophobicContact CE1-CH2 4.04Å; Y793-W798 HydrophobicContact CE1-CZ2 4.21Å; Y793-W798 AromaticContact CE1-CZ3 3.96Å; Y793-W798 HydrophobicContact CE1-CZ3 3.96Å; Y793-W798 HydrophobicContact CG-CD2 4.36Å; Y793-W798 HydrophobicContact CG-CG 4.43Å; Y793-I806 HydrophobicContact CD1-CG1 4.33Å; Y793-I806 HydrophobicContact CD2-CG2 4.2Å; Y793-I806 HydrophobicContact CE1-CG1 4.19Å; Y793-I806 HydrophobicContact CE1-CG2 4.41Å; Y793-I806 HydrophobicContact CE2-CG2 3.72Å; Y793-I806 PolarHBondContact OH-O 3.38Å; Y793-I809 HydrophobicContact CE1-CD1 4.25Å; Y793-I809 HydrophobicContact CE1-CG2 4.37Å; Y793-I809 WeakPolarHBondContact OH-CB 3.44Å; Y793-I809 VanDerWaalsContact OH-CG2 3.26Å; Y793-I809 WeakPolarHBondContact OH-CG2 3.35Å; Y793-N810 WeakPolarHBondContact CE2-OD1 3.3Å; Y793-N810 PolarHBondContact OH-OD1 3.31Å
794	P	83.8	Confident	87.4	Confident	19 Å²	19	63.1 Å²	63.1	12%	0.123	34%	0.337	C	S	.	.			trans	-60.1	136.6	179.7	-25.7	35.7	0	0	0	112.1	N397 M792 N796 W798	N397-P794 WeakPolarHBondContact OD1-CB 3.28Å; M792-P794 HydrophobicContact CG-CG 4.26Å; M792-P794 WeakPolarHBondContact O-CD 3.4Å; P794-N796 CarbonylContact O-C 3.6Å; P794-N796 VanDerWaalsContact O-C 3.24Å; P794-N796 PolarHBondContact O-N 2.88Å; P794-W798 WeakPolarHBondContact O-CB 3.47Å; P794-W798 VanDerWaalsContact O-CD1 3.27Å; P794-W798 PolarHBondContact O-N 3.14Å
795	P	82.6	Confident	88.3	Confident	94 Å²	94	59.2 Å²	59.2	61%	0.61	32%	0.316	S	S	*	.	H	α-helix	trans	-53.3	-29.2	-172.3	-30.9	35.8	0	0	0	115.4	P797 W798 K799	P795-P797 CarbonylContact O-C 3.49Å; P795-W798 PolarHBondContact O-N 3.28Å; P795-K799 WeakPolarHBondContact O-CB 3.42Å; P795-K799 PolarHBondContact O-N 3.47Å
796	N	84.9	Confident	89.3	Confident	97 Å²	97	60.2 Å²	60.2	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-105.3	125.1	164.1	-61.5	-28.9	0	0	0	108.1	N397 P794	N397-N796 PolarHBondContact ND2-O 3.49Å; P794-N796 CarbonylContact O-C 3.6Å; P794-N796 VanDerWaalsContact O-C 3.24Å; P794-N796 PolarHBondContact O-N 2.88Å
797	P	90.2	Very high	90.1	Very high	14 Å²	14	63.4 Å²	63.4	9%	0.091	34%	0.338	C	S	.	.	H	α-helix	cis	-87.7	-1.2	-2.2	34.2	-32.4	0	0	0	114.7	P795 K799 E800 I801	P795-P797 CarbonylContact O-C 3.49Å; P797-K799 PolarHBondContact O-N 3.08Å; P797-E800 WeakPolarHBondContact O-CB 3.26Å; P797-E800 PolarHBondContact O-N 2.92Å; P797-I801 HydrophobicContact CB-CD1 4.29Å; P797-I801 HydrophobicContact CG-CD1 4.07Å
798	W	93.8	Very high	90.9	Very high	11 Å²	11	60.4 Å²	60.4	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-13.1	-163.8	-66.1	99	0	0	0	116.3	Y767 L770 Y793 P794 P795 E800 I801 I806 I809	Y767-W798 HydrophobicContact CD1-CZ2 4.25Å; Y767-W798 AromaticContact CD2-CH2 3.85Å; Y767-W798 HydrophobicContact CD2-CH2 3.85Å; Y767-W798 AromaticContact CD2-CZ2 3.37Å; Y767-W798 HydrophobicContact CD2-CZ2 3.37Å; Y767-W798 HydrophobicContact CE1-CZ2 4.2Å; Y767-W798 AromaticContact CE2-CE2 3.79Å; Y767-W798 HydrophobicContact CE2-CH2 4.21Å; Y767-W798 AromaticContact CE2-CZ2 3.34Å; Y767-W798 HydrophobicContact CE2-CZ2 3.34Å; Y767-W798 AromaticContact CE2-NE1 3.91Å; Y767-W798 HydrophobicContact CG-CH2 4.29Å; Y767-W798 AromaticContact CG-CZ2 3.83Å; Y767-W798 HydrophobicContact CG-CZ2 3.83Å; Y767-W798 AromaticContact CZ-CZ2 3.77Å; Y767-W798 AromaticContact CZ-NE1 3.79Å; L770-W798 HydrophobicContact CB-CH2 4.11Å; L770-W798 HydrophobicContact CB-CZ3 4.47Å; L770-W798 HydrophobicContact CD1-CH2 4.47Å; L770-W798 HydrophobicContact CD1-CZ3 4.39Å; Y793-W798 AromaticContact CD1-CD2 3.52Å; Y793-W798 HydrophobicContact CD1-CD2 3.52Å; Y793-W798 AromaticContact CD1-CE2 3.66Å; Y793-W798 AromaticContact CD1-CE3 3.67Å; Y793-W798 HydrophobicContact CD1-CE3 3.67Å; Y793-W798 HydrophobicContact CD1-CG 4.01Å; Y793-W798 HydrophobicContact CD1-CH2 4.16Å; Y793-W798 AromaticContact CD1-CZ2 3.99Å; Y793-W798 HydrophobicContact CD1-CZ2 3.99Å; Y793-W798 AromaticContact CD1-CZ3 3.98Å; Y793-W798 HydrophobicContact CD1-CZ3 3.98Å; Y793-W798 HydrophobicContact CE1-CD2 4.32Å; Y793-W798 HydrophobicContact CE1-CE3 4.11Å; Y793-W798 HydrophobicContact CE1-CH2 4.04Å; Y793-W798 HydrophobicContact CE1-CZ2 4.21Å; Y793-W798 AromaticContact CE1-CZ3 3.96Å; Y793-W798 HydrophobicContact CE1-CZ3 3.96Å; Y793-W798 HydrophobicContact CG-CD2 4.36Å; Y793-W798 HydrophobicContact CG-CG 4.43Å; P794-W798 WeakPolarHBondContact O-CB 3.47Å; P794-W798 VanDerWaalsContact O-CD1 3.27Å; P794-W798 PolarHBondContact O-N 3.14Å; P795-W798 PolarHBondContact O-N 3.28Å; W798-E800 VanDerWaalsContact C-N 3.28Å; W798-I801 HydrophobicContact CD2-CD1 3.82Å; W798-I801 HydrophobicContact CE3-CB 3.92Å; W798-I801 HydrophobicContact CE3-CD1 3.57Å; W798-I801 HydrophobicContact CE3-CG1 4.34Å; W798-I801 HydrophobicContact CE3-CG2 3.69Å; W798-I801 HydrophobicContact CG-CD1 4.37Å; W798-I801 HydrophobicContact CH2-CD1 4.43Å; W798-I801 HydrophobicContact CZ3-CB 4.38Å; W798-I801 HydrophobicContact CZ3-CD1 3.92Å; W798-I801 HydrophobicContact CZ3-CG2 3.69Å; W798-I801 PolarHBondContact O-N 3.29Å; W798-I806 HydrophobicContact CE3-CD1 4.11Å; W798-I806 HydrophobicContact CE3-CG1 3.77Å; W798-I806 HydrophobicContact CZ3-CG1 4Å; W798-I809 HydrophobicContact CH2-CD1 3.4Å; W798-I809 VanDerWaalsContact CH2-CD1 3.4Å; W798-I809 HydrophobicContact CZ3-CD1 3.65Å
799	K	92.4	Very high	91.7	Very high	184 Å²	184	56 Å²	56	80%	0.8	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.6	167.6	-174.4	-179.4	175	-172.5	0	113.3	P795 P797	P795-K799 WeakPolarHBondContact O-CB 3.42Å; P795-K799 PolarHBondContact O-N 3.47Å; P797-K799 PolarHBondContact O-N 3.08Å
800	E	92.7	Very high	92.4	Very high	127 Å²	127	57.3 Å²	57.3	59%	0.593	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.7	175.9	-57.8	-178.1	168.5	0	0	113.1	R670 P797 W798	R670-E800 IonicContact CZ-OE2 2.9Å; R670-E800 IonicContact NH2-OE2 2.66Å; R670-E800 PolarHBondContact NH2-OE2 3.41Å; P797-E800 WeakPolarHBondContact O-CB 3.26Å; P797-E800 PolarHBondContact O-N 2.92Å; W798-E800 VanDerWaalsContact C-N 3.28Å
801	I	96.1	Very high	93.1	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.082	29%	0.293	C	S	.	.	S	Bend	trans	-106.3	142.4	-172.7	-68.4	163.2	0	0	0	109.6	E673 L770 P797 W798 A805	E673-I801 WeakPolarHBondContact OE1-CA 3.29Å; L770-I801 HydrophobicContact CB-CD1 3.95Å; L770-I801 HydrophobicContact CD1-CG2 4.16Å; P797-I801 HydrophobicContact CB-CD1 4.29Å; P797-I801 HydrophobicContact CG-CD1 4.07Å; W798-I801 HydrophobicContact CD2-CD1 3.82Å; W798-I801 HydrophobicContact CE3-CB 3.92Å; W798-I801 HydrophobicContact CE3-CD1 3.57Å; W798-I801 HydrophobicContact CE3-CG1 4.34Å; W798-I801 HydrophobicContact CE3-CG2 3.69Å; W798-I801 HydrophobicContact CG-CD1 4.37Å; W798-I801 HydrophobicContact CH2-CD1 4.43Å; W798-I801 HydrophobicContact CZ3-CB 4.38Å; W798-I801 HydrophobicContact CZ3-CD1 3.92Å; W798-I801 HydrophobicContact CZ3-CG2 3.69Å; W798-I801 PolarHBondContact O-N 3.29Å; I801-A805 HydrophobicContact CG2-CB 3.68Å
802	S	97.8	Very high	93.7	Very high	30 Å²	30	54.5 Å²	54.5	21%	0.21	28%	0.284	C	S	.	.			trans	-61.5	146.6	-177	66.5	0	0	0	0	113.6	E673 E804 A805 I806 W831	E673-S802 PolarHBondContact OE1-N 3.45Å; E673-S802 WeakPolarHBondContact OE2-CB 3.33Å; E673-S802 PolarHBondContact OE2-OG 2.7Å; S802-E804 PolarHBondContact O-N 3.4Å; S802-A805 WeakPolarHBondContact O-CB 3.33Å; S802-A805 PolarHBondContact O-N 3.11Å; S802-A805 WeakPolarHBondContact OG-CB 3.41Å; S802-A805 PolarHBondContact OG-N 2.66Å; S802-A805 VanDerWaalsContact OG-N 3.12Å; S802-I806 PolarHBondContact O-N 3.04Å; S802-W831 PolarHBondContact OG-NE1 3Å
803	S	97.3	Very high	94.2	Very high	85 Å²	85	48.4 Å²	48.4	59%	0.594	25%	0.254	S	S	*	.	H	α-helix	trans	-54.2	-34.6	169.3	20.9	0	0	0	0	112.2	I806 D807	S803-I806 PolarHBondContact O-N 3.48Å; S803-D807 WeakPolarHBondContact O-CB 3.25Å; S803-D807 PolarHBondContact O-N 3.49Å
804	E	98.2	Very high	94.4	Very high	86 Å²	86	48.4 Å²	48.4	40%	0.402	26%	0.256	S	S	.	.	H	α-helix	trans	-71.2	-38.7	-178	-67.3	81.1	168.3	0	0	111.4	S802 D807 L808 H829 W831	S802-E804 PolarHBondContact O-N 3.4Å; E804-D807 PolarHBondContact O-N 2.92Å; E804-L808 PolarHBondContact O-N 2.87Å; E804-H829 WeakPolarHBondContact CA-CE1 3.43Å; E804-H829 PolarHBondContact O-CE1 2.81Å; E804-W831 HydrophobicContact CB-CB 3.99Å; E804-W831 HydrophobicContact CB-CG 4.34Å
805	A	98.2	Very high	94.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-46.5	170.4	0	0	0	0	0	111.1	L770 I801 S802 L808 I809 W831	L770-A805 HydrophobicContact CD1-CB 3.78Å; I801-A805 HydrophobicContact CG2-CB 3.68Å; S802-A805 WeakPolarHBondContact O-CB 3.33Å; S802-A805 PolarHBondContact O-N 3.11Å; S802-A805 WeakPolarHBondContact OG-CB 3.41Å; S802-A805 PolarHBondContact OG-N 2.66Å; S802-A805 VanDerWaalsContact OG-N 3.12Å; A805-L808 PolarHBondContact O-N 3.04Å; A805-I809 WeakPolarHBondContact O-CD1 3.23Å; A805-I809 VanDerWaalsContact O-CG1 3.27Å; A805-I809 WeakPolarHBondContact O-CG1 3.47Å; A805-I809 PolarHBondContact O-N 3.04Å; A805-W831 HydrophobicContact CB-CD2 4.36Å; A805-W831 HydrophobicContact CB-CG 4.43Å; A805-W831 HydrophobicContact CB-CZ2 4.12Å; A805-W831 VanDerWaalsContact N-CD1 3.3Å
806	I	97.8	Very high	95	Very high	39 Å²	39	52 Å²	52	20%	0.2	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-42.6	179.8	-71	168.5	0	0	0	110.8	Y793 W798 S802 S803 I809 N810	Y793-I806 HydrophobicContact CD1-CG1 4.33Å; Y793-I806 HydrophobicContact CD2-CG2 4.2Å; Y793-I806 HydrophobicContact CE1-CG1 4.19Å; Y793-I806 HydrophobicContact CE1-CG2 4.41Å; Y793-I806 HydrophobicContact CE2-CG2 3.72Å; Y793-I806 PolarHBondContact OH-O 3.38Å; W798-I806 HydrophobicContact CE3-CD1 4.11Å; W798-I806 HydrophobicContact CE3-CG1 3.77Å; W798-I806 HydrophobicContact CZ3-CG1 4Å; S802-I806 PolarHBondContact O-N 3.04Å; S803-I806 PolarHBondContact O-N 3.48Å; I806-I809 PolarHBondContact O-N 3.14Å; I806-N810 WeakPolarHBondContact O-CB 3.37Å; I806-N810 PolarHBondContact O-N 3.46Å; I806-N810 PolarHBondContact O-ND2 2.78Å; I806-N810 VanDerWaalsContact O-ND2 3.14Å
807	D	98.3	Very high	95.1	Very high	69 Å²	69	51 Å²	51	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-64.6	-42.4	175.6	-177.6	68.1	0	0	0	112.4	S803 E804 I809 N810 N811 H829	S803-D807 WeakPolarHBondContact O-CB 3.25Å; S803-D807 PolarHBondContact O-N 3.49Å; E804-D807 PolarHBondContact O-N 2.92Å; D807-I809 PolarHBondContact O-N 2.79Å; D807-N810 PolarHBondContact O-N 2.96Å; D807-N811 VanDerWaalsContact CG-ND2 3.32Å; D807-N811 WeakPolarHBondContact O-CB 3.44Å; D807-N811 PolarHBondContact O-N 3.06Å; D807-N811 PolarHBondContact O-ND2 3.04Å; D807-N811 PolarHBondContact OD1-ND2 2.99Å; D807-N811 VanDerWaalsContact OD1-ND2 3.09Å; D807-N811 PolarHBondContact OD2-ND2 3.47Å; D807-N811 VanDerWaalsContact OD2-ND2 3.15Å; D807-H829 VanDerWaalsContact CB-NE2 3.34Å; D807-H829 WeakPolarHBondContact CB-NE2 3.35Å; D807-H829 IonicContact OD1-NE2 2.82Å; D807-H829 IonicContact OD2-CD2 3.81Å; D807-H829 IonicContact OD2-CE1 3.27Å; D807-H829 CovalentContact OD2-NE2 1.76Å; D807-H829 IonicContact OD2-NE2 3.74Å; D807-H829 PolarHBondContact OD2-NE2 3.44Å
808	L	98.4	Very high	95	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-44.8	175.4	-179	60	0	0	0	111.4	E804 A805 N810 N811 L812 F821 H829 W831 L832	E804-L808 PolarHBondContact O-N 2.87Å; A805-L808 PolarHBondContact O-N 3.04Å; L808-N810 VanDerWaalsContact C-N 3.35Å; L808-N810 PolarHBondContact O-N 2.85Å; L808-N811 PolarHBondContact O-N 3.42Å; L808-L812 HydrophobicContact CD1-CD1 4.03Å; L808-L812 HydrophobicContact CD1-CG 4.1Å; L808-L812 HydrophobicContact CD2-CD1 4.41Å; L808-L812 HydrophobicContact CG-CD1 3.82Å; L808-L812 HydrophobicContact CG-CG 4.32Å; L808-L812 WeakPolarHBondContact O-CB 3.31Å; L808-L812 VanDerWaalsContact O-CG 3.29Å; L808-L812 WeakPolarHBondContact O-CG 3.33Å; L808-L812 PolarHBondContact O-N 2.9Å; L808-F821 HydrophobicContact CD1-CD2 4.45Å; L808-H829 HydrophobicContact CD1-CB 3.99Å; L808-W831 HydrophobicContact CD2-CD2 4.37Å; L808-W831 HydrophobicContact CD2-CE3 3.45Å; L808-W831 VanDerWaalsContact CD2-CE3 3.45Å; L808-W831 HydrophobicContact CD2-CZ3 4Å; L808-L832 HydrophobicContact CD2-CG 4.5Å
809	I	98.3	Very high	94.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-45.2	176.3	-64.2	161.1	0	0	0	110.4	V766 Y767 F791 Y793 W798 A805 I806 D807 N811 L812 L813	V766-I809 HydrophobicContact CB-CG1 4.1Å; V766-I809 HydrophobicContact CG1-CD1 3.91Å; V766-I809 HydrophobicContact CG1-CG1 3.62Å; Y767-I809 HydrophobicContact CD2-CG2 4.4Å; F791-I809 HydrophobicContact CE2-CG2 4.43Å; Y793-I809 HydrophobicContact CE1-CD1 4.25Å; Y793-I809 HydrophobicContact CE1-CG2 4.37Å; Y793-I809 WeakPolarHBondContact OH-CB 3.44Å; Y793-I809 VanDerWaalsContact OH-CG2 3.26Å; Y793-I809 WeakPolarHBondContact OH-CG2 3.35Å; W798-I809 HydrophobicContact CH2-CD1 3.4Å; W798-I809 VanDerWaalsContact CH2-CD1 3.4Å; W798-I809 HydrophobicContact CZ3-CD1 3.65Å; A805-I809 WeakPolarHBondContact O-CD1 3.23Å; A805-I809 VanDerWaalsContact O-CG1 3.27Å; A805-I809 WeakPolarHBondContact O-CG1 3.47Å; A805-I809 PolarHBondContact O-N 3.04Å; I806-I809 PolarHBondContact O-N 3.14Å; D807-I809 PolarHBondContact O-N 2.79Å; I809-N811 VanDerWaalsContact C-N 3.26Å; I809-N811 PolarHBondContact O-N 3.35Å; I809-L812 PolarHBondContact O-N 2.99Å; I809-L812 VanDerWaalsContact O-N 3.15Å; I809-L813 HydrophobicContact CG2-CD1 3.63Å; I809-L813 HydrophobicContact CG2-CG 4.08Å; I809-L813 WeakPolarHBondContact O-CB 3.31Å; I809-L813 PolarHBondContact O-N 3.38Å
810	N	97.2	Very high	95.1	Very high	54 Å²	54	60 Å²	60	29%	0.289	29%	0.287	S	S	.	.	H	α-helix	trans	-60.1	-34.5	177.2	-69.7	-24.2	0	0	0	112.7	Y793 I806 D807 L808 Q814	Y793-N810 WeakPolarHBondContact CE2-OD1 3.3Å; Y793-N810 PolarHBondContact OH-OD1 3.31Å; I806-N810 WeakPolarHBondContact O-CB 3.37Å; I806-N810 PolarHBondContact O-N 3.46Å; I806-N810 PolarHBondContact O-ND2 2.78Å; I806-N810 VanDerWaalsContact O-ND2 3.14Å; D807-N810 PolarHBondContact O-N 2.96Å; L808-N810 VanDerWaalsContact C-N 3.35Å; L808-N810 PolarHBondContact O-N 2.85Å; N810-Q814 WeakPolarHBondContact O-CG 3.48Å; N810-Q814 PolarHBondContact O-NE2 2.8Å
811	N	97.9	Very high	95.3	Very high	35 Å²	35	55.7 Å²	55.7	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-81.2	-22.7	177.3	-79.1	-70.2	0	0	0	113.7	D807 L808 I809 R820 F821	D807-N811 VanDerWaalsContact CG-ND2 3.32Å; D807-N811 WeakPolarHBondContact O-CB 3.44Å; D807-N811 PolarHBondContact O-N 3.06Å; D807-N811 PolarHBondContact O-ND2 3.04Å; D807-N811 PolarHBondContact OD1-ND2 2.99Å; D807-N811 VanDerWaalsContact OD1-ND2 3.09Å; D807-N811 PolarHBondContact OD2-ND2 3.47Å; D807-N811 VanDerWaalsContact OD2-ND2 3.15Å; L808-N811 PolarHBondContact O-N 3.42Å; I809-N811 VanDerWaalsContact C-N 3.26Å; I809-N811 PolarHBondContact O-N 3.35Å; N811-R820 WeakPolarHBondContact O-CA 3.26Å; N811-F821 HydrophobicContact CB-CD1 3.65Å; N811-F821 HydrophobicContact CB-CD2 4.16Å; N811-F821 HydrophobicContact CB-CE1 3.61Å; N811-F821 HydrophobicContact CB-CE2 4.14Å; N811-F821 HydrophobicContact CB-CG 3.93Å; N811-F821 HydrophobicContact CB-CZ 3.86Å; N811-F821 VanDerWaalsContact CG-CE1 3.49Å; N811-F821 PolarHBondContact O-N 2.83Å; N811-F821 VanDerWaalsContact O-N 3.09Å; N811-F821 WeakPolarHBondContact OD1-CE1 3.37Å
812	L	97.4	Very high	95.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-84.6	-37.4	172.7	-70.2	171.7	0	0	0	112.9	M759 V762 V766 L808 I809 Q814 R820 F821 S826	M759-L812 HydrophobicContact CB-CD2 4.3Å; M759-L812 HydrophobicContact CE-CD2 3.62Å; V762-L812 HydrophobicContact CG1-CD1 4.06Å; V766-L812 HydrophobicContact CG2-CD1 4.5Å; L808-L812 HydrophobicContact CD1-CD1 4.03Å; L808-L812 HydrophobicContact CD1-CG 4.1Å; L808-L812 HydrophobicContact CD2-CD1 4.41Å; L808-L812 HydrophobicContact CG-CD1 3.82Å; L808-L812 HydrophobicContact CG-CG 4.32Å; L808-L812 WeakPolarHBondContact O-CB 3.31Å; L808-L812 VanDerWaalsContact O-CG 3.29Å; L808-L812 WeakPolarHBondContact O-CG 3.33Å; L808-L812 PolarHBondContact O-N 2.9Å; I809-L812 PolarHBondContact O-N 2.99Å; I809-L812 VanDerWaalsContact O-N 3.15Å; L812-Q814 PolarHBondContact O-N 3.44Å; L812-Q814 VanDerWaalsContact O-N 3.17Å; L812-R820 WeakPolarHBondContact O-CD 3.41Å; L812-R820 WeakPolarHBondContact O-CG 3.35Å; L812-F821 HydrophobicContact CD2-CB 4.34Å; L812-S826 WeakPolarHBondContact CD2-OG 3.28Å
813	L	95.4	Very high	95.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.271	C	S	.	.	S	Bend	trans	-88.5	35.7	-179.9	-60.1	-175.9	0	0	0	113	W760 V764 P775 F791 I809	W760-L813 HydrophobicContact CD2-CD2 3.79Å; W760-L813 HydrophobicContact CE3-CB 4.34Å; W760-L813 HydrophobicContact CE3-CD2 4.04Å; W760-L813 HydrophobicContact CG-CD2 4.16Å; W760-L813 HydrophobicContact CZ2-CD2 4.43Å; W760-L813 VanDerWaalsContact CZ3-C 3.4Å; W760-L813 HydrophobicContact CZ3-CB 4.17Å; W760-L813 HydrophobicContact CZ3-CD2 4.47Å; W760-L813 VanDerWaalsContact CZ3-O 3.27Å; W760-L813 WeakPolarHBondContact CZ3-O 3.09Å; W760-L813 WeakPolarHBondContact O-CD2 3.42Å; V764-L813 HydrophobicContact CG2-CD2 3.88Å; P775-L813 HydrophobicContact CB-CD1 4.49Å; F791-L813 HydrophobicContact CD1-CB 4.37Å; F791-L813 HydrophobicContact CD1-CD1 3.94Å; F791-L813 HydrophobicContact CD2-CD1 4.46Å; F791-L813 HydrophobicContact CE1-CB 3.45Å; F791-L813 VanDerWaalsContact CE1-CB 3.45Å; F791-L813 HydrophobicContact CE1-CD1 3.65Å; F791-L813 HydrophobicContact CE1-CG 4.2Å; F791-L813 HydrophobicContact CE2-CD1 4.21Å; F791-L813 HydrophobicContact CG-CD1 4.35Å; F791-L813 HydrophobicContact CZ-CB 3.78Å; F791-L813 HydrophobicContact CZ-CD1 3.8Å; F791-L813 HydrophobicContact CZ-CG 4.39Å; I809-L813 HydrophobicContact CG2-CD1 3.63Å; I809-L813 HydrophobicContact CG2-CG 4.08Å; I809-L813 WeakPolarHBondContact O-CB 3.31Å; I809-L813 PolarHBondContact O-N 3.38Å
814	Q	94.1	Very high	95.3	Very high	55 Å²	55	56.4 Å²	56.4	26%	0.257	27%	0.266	S	S	.	.			trans	-79.4	123.3	175.5	-73.7	-66.4	-55.5	0	0	112.1	N810 L812 K816 K819 R820	N810-Q814 WeakPolarHBondContact O-CG 3.48Å; N810-Q814 PolarHBondContact O-NE2 2.8Å; L812-Q814 PolarHBondContact O-N 3.44Å; L812-Q814 VanDerWaalsContact O-N 3.17Å; Q814-K816 VanDerWaalsContact C-N 3.29Å; Q814-K816 PolarHBondContact O-N 3.48Å; Q814-K819 HydrophobicContact CB-CB 4.23Å; Q814-K819 HydrophobicContact CG-CB 4.06Å; Q814-R820 HydrophobicContact CB-CB 3.96Å; Q814-R820 HydrophobicContact CB-CG 4.29Å; Q814-R820 PolarHBondContact O-NE 3.13Å; Q814-R820 PolarHBondContact O-NH2 3.36Å
815	V	89.9	Confident	95.3	Very high	38 Å²	38	57.8 Å²	57.8	23%	0.23	27%	0.27	C	S	.	.	S	Bend	trans	-60.9	-36.8	173	-174.3	0	0	0	0	112.3	P745 Q787 A789 M817	P745-V815 HydrophobicContact CB-CG1 4.17Å; P745-V815 HydrophobicContact CG-CG1 4.39Å; Q787-V815 VanDerWaalsContact O-CG1 3.29Å; Q787-V815 WeakPolarHBondContact O-CG1 3.47Å; A789-V815 HydrophobicContact CB-CG2 3.43Å; A789-V815 VanDerWaalsContact CB-CG2 3.43Å; V815-M817 PolarHBondContact O-N 3.42Å
816	K	88.5	Confident	95.3	Very high	151 Å²	151	57.9 Å²	57.9	66%	0.657	27%	0.271	S	S	*	.	S	Bend	trans	-85.8	101.9	178.7	-70.2	179.5	175.4	174.8	0	108.9	Q814 R818 K819 R820	Q814-K816 VanDerWaalsContact C-N 3.29Å; Q814-K816 PolarHBondContact O-N 3.48Å; K816-R818 PolarHBondContact O-N 3.05Å; K816-K819 HydrophobicContact CB-CB 4.41Å; K816-K819 HydrophobicContact CB-CG 4.37Å; K816-K819 WeakPolarHBondContact O-CA 3.33Å; K816-K819 WeakPolarHBondContact O-CB 3.45Å; K816-K819 PolarHBondContact O-N 3.1Å; K816-R820 PolarHBondContact O-N 3.13Å
817	M	87.6	Confident	95.3	Very high	76 Å²	76	56.9 Å²	56.9	37%	0.374	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	-38	-179.6	-64.3	176.2	-73.3	0	0	114.6	E746 N754 V815 K819 R820	E746-M817 HydrophobicContact CB-CE 4.38Å; E746-M817 HydrophobicContact CB-SD 3.87Å; E746-M817 HydrophobicContact CG-CG 4.44Å; E746-M817 HydrophobicContact CG-SD 3.83Å; N754-M817 PolarHBondContact ND2-SD 3.04Å; V815-M817 PolarHBondContact O-N 3.42Å; M817-K819 VanDerWaalsContact C-N 3.29Å; M817-K819 PolarHBondContact O-N 2.8Å; M817-R820 WeakPolarHBondContact O-CB 3.44Å; M817-R820 PolarHBondContact O-N 3.37Å
818	R	87.4	Confident	95.2	Very high	253 Å²	253	57.9 Å²	57.9	96%	0.955	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.9	177.3	-66	-176.2	-176.3	162.7	0.1	114.9	K816	K816-R818 PolarHBondContact O-N 3.05Å
819	K	92.8	Very high	95.2	Very high	136 Å²	136	58.6 Å²	58.6	59%	0.591	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-26.5	171.1	-72.5	-162.5	168.4	-159.3	0	112.2	Q814 K816 M817	Q814-K819 HydrophobicContact CB-CB 4.23Å; Q814-K819 HydrophobicContact CG-CB 4.06Å; K816-K819 HydrophobicContact CB-CB 4.41Å; K816-K819 HydrophobicContact CB-CG 4.37Å; K816-K819 WeakPolarHBondContact O-CA 3.33Å; K816-K819 WeakPolarHBondContact O-CB 3.45Å; K816-K819 PolarHBondContact O-N 3.1Å; M817-K819 VanDerWaalsContact C-N 3.29Å; M817-K819 PolarHBondContact O-N 2.8Å
820	R	96.3	Very high	95.1	Very high	10 Å²	10	62.7 Å²	62.7	4%	0.038	31%	0.308	C	S	.	.	S	Bend	trans	-60.7	140	178.9	-158	177.3	-58.4	148.1	7.1	110.1	E746 S756 N811 L812 Q814 K816 M817	E746-R820 IonicContact OE1-CZ 3.55Å; E746-R820 IonicContact OE1-NH1 2.81Å; E746-R820 PolarHBondContact OE1-NH1 3.24Å; E746-R820 IonicContact OE1-NH2 3.44Å; E746-R820 IonicContact OE2-CZ 3.17Å; E746-R820 IonicContact OE2-NH1 3.23Å; E746-R820 PolarHBondContact OE2-NH1 3.44Å; E746-R820 IonicContact OE2-NH2 2.7Å; E746-R820 PolarHBondContact OE2-NH2 3.27Å; S756-R820 VanDerWaalsContact C-NH1 3.31Å; S756-R820 WeakPolarHBondContact O-CD 3.44Å; S756-R820 PolarHBondContact O-NH1 2.95Å; S756-R820 PolarHBondContact OG-NH1 2.83Å; N811-R820 WeakPolarHBondContact O-CA 3.26Å; L812-R820 WeakPolarHBondContact O-CD 3.41Å; L812-R820 WeakPolarHBondContact O-CG 3.35Å; Q814-R820 HydrophobicContact CB-CB 3.96Å; Q814-R820 HydrophobicContact CB-CG 4.29Å; Q814-R820 PolarHBondContact O-NE 3.13Å; Q814-R820 PolarHBondContact O-NH2 3.36Å; K816-R820 PolarHBondContact O-N 3.13Å; M817-R820 WeakPolarHBondContact O-CB 3.44Å; M817-R820 PolarHBondContact O-N 3.37Å
821	F	97.8	Very high	95.2	Very high	36 Å²	36	60.2 Å²	60.2	16%	0.158	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69.1	144.7	177.1	-83.4	26.6	0	0	0	111.5	M759 L808 N811 L812 K825 S826 H829	M759-F821 WeakPolarHBondContact CG-O 3.29Å; L808-F821 HydrophobicContact CD1-CD2 4.45Å; N811-F821 HydrophobicContact CB-CD1 3.65Å; N811-F821 HydrophobicContact CB-CD2 4.16Å; N811-F821 HydrophobicContact CB-CE1 3.61Å; N811-F821 HydrophobicContact CB-CE2 4.14Å; N811-F821 HydrophobicContact CB-CG 3.93Å; N811-F821 HydrophobicContact CB-CZ 3.86Å; N811-F821 VanDerWaalsContact CG-CE1 3.49Å; N811-F821 PolarHBondContact O-N 2.83Å; N811-F821 VanDerWaalsContact O-N 3.09Å; N811-F821 WeakPolarHBondContact OD1-CE1 3.37Å; L812-F821 HydrophobicContact CD2-CB 4.34Å; F821-K825 HydrophobicContact CB-CB 4.01Å; F821-K825 HydrophobicContact CD1-CB 4.49Å; F821-K825 HydrophobicContact CD1-CD 4.23Å; F821-K825 HydrophobicContact CD2-CB 3.62Å; F821-K825 HydrophobicContact CE2-CB 4.17Å; F821-K825 HydrophobicContact CG-CB 3.8Å; F821-K825 HydrophobicContact CG-CD 4.31Å; F821-S826 WeakPolarHBondContact CB-OG 3.48Å; F821-H829 AromaticContact CE2-CD2 3.95Å
822	S	97	Very high	95.2	Very high	51 Å²	51	58.9 Å²	58.9	36%	0.357	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-86.5	166.1	164.9	60.9	0	0	0	0	110	D824 K825 S826	S822-D824 PolarHBondContact O-N 3.05Å; S822-K825 PolarHBondContact O-N 3.02Å; S822-S826 PolarHBondContact O-N 3.38Å; S822-S826 PolarHBondContact O-OG 2.79Å
823	V	97.7	Very high	95	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	30%	0.302	C	S	.	.	H	α-helix	trans	-44.3	-50.4	176.4	176.7	0	0	0	0	112	L684 L687 R688 M759 K825 S826 L827	L684-V823 HydrophobicContact CB-CG1 4.29Å; L684-V823 HydrophobicContact CD2-CG1 4.41Å; L684-V823 WeakPolarHBondContact O-CG1 3.1Å; L687-V823 HydrophobicContact CB-CG2 3.94Å; R688-V823 HydrophobicContact CB-CG1 3.79Å; R688-V823 HydrophobicContact CG-CG1 4.26Å; M759-V823 HydrophobicContact CE-CG2 4.46Å; M759-V823 HydrophobicContact SD-CB 4.3Å; M759-V823 HydrophobicContact SD-CG2 3.47Å; M759-V823 WeakPolarHBondContact SD-CG2 3.48Å; V823-K825 PolarHBondContact O-N 2.75Å; V823-S826 PolarHBondContact O-N 3Å; V823-L827 HydrophobicContact CG1-CD1 3.89Å; V823-L827 HydrophobicContact CG1-CG 4.41Å; V823-L827 WeakPolarHBondContact O-CG 3.23Å; V823-L827 PolarHBondContact O-N 2.62Å
824	D	96.4	Very high	95	Very high	91 Å²	91	63.9 Å²	63.9	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-39.6	-175.9	-36.3	-82.8	0	0	0	111.9	S822 S826 L827 S828	S822-D824 PolarHBondContact O-N 3.05Å; D824-S826 VanDerWaalsContact C-N 3.34Å; D824-S826 PolarHBondContact O-N 3.36Å; D824-L827 PolarHBondContact O-N 3.37Å; D824-S828 WeakPolarHBondContact O-CB 2.95Å; D824-S828 PolarHBondContact O-N 3.26Å; D824-S828 PolarHBondContact O-OG 2.67Å; D824-S828 VanDerWaalsContact O-OG 3.11Å
825	K	97.4	Very high	95	Very high	115 Å²	115	62.3 Å²	62.3	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-66.2	-35.9	174.8	-72	-171.3	174	-170.5	0	112.5	F821 S822 V823 H829	F821-K825 HydrophobicContact CB-CB 4.01Å; F821-K825 HydrophobicContact CD1-CB 4.49Å; F821-K825 HydrophobicContact CD1-CD 4.23Å; F821-K825 HydrophobicContact CD2-CB 3.62Å; F821-K825 HydrophobicContact CE2-CB 4.17Å; F821-K825 HydrophobicContact CG-CB 3.8Å; F821-K825 HydrophobicContact CG-CD 4.31Å; S822-K825 PolarHBondContact O-N 3.02Å; V823-K825 PolarHBondContact O-N 2.75Å; K825-H829 PolarHBondContact O-N 3.18Å
826	S	98.3	Very high	95.3	Very high	1 Å²	1	64 Å²	64	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-71	-42.3	176.2	-63.9	0	0	0	0	111.6	M759 L812 F821 S822 V823 D824 S828 H829	M759-S826 VanDerWaalsContact CE-OG 3.29Å; M759-S826 WeakPolarHBondContact CE-OG 3.47Å; L812-S826 WeakPolarHBondContact CD2-OG 3.28Å; F821-S826 WeakPolarHBondContact CB-OG 3.48Å; S822-S826 PolarHBondContact O-N 3.38Å; S822-S826 PolarHBondContact O-OG 2.79Å; V823-S826 PolarHBondContact O-N 3Å; D824-S826 VanDerWaalsContact C-N 3.34Å; D824-S826 PolarHBondContact O-N 3.36Å; S826-S828 VanDerWaalsContact C-N 3.32Å; S826-S828 PolarHBondContact O-N 3.4Å; S826-H829 VanDerWaalsContact O-CB 3.27Å; S826-H829 WeakPolarHBondContact O-CB 3.39Å; S826-H829 PolarHBondContact O-N 3.12Å; S826-H829 VanDerWaalsContact O-N 3.13Å
827	L	97.2	Very high	95.6	Very high	19 Å²	19	57 Å²	57	10%	0.099	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-41.1	173.1	-73.5	171.2	0	0	0	111.6	T681 L684 V685 V823 D824 H829 Q833	T681-L827 HydrophobicContact CG2-CD2 3.94Å; L684-L827 HydrophobicContact CB-CD1 4.48Å; L684-L827 HydrophobicContact CB-CD2 3.62Å; L684-L827 HydrophobicContact CB-CG 3.92Å; L684-L827 HydrophobicContact CD1-CD2 4.01Å; L684-L827 HydrophobicContact CD1-CG 4.25Å; L684-L827 HydrophobicContact CG-CD2 4.48Å; V685-L827 HydrophobicContact CG2-CD1 4.32Å; V685-L827 HydrophobicContact CG2-CD2 4.18Å; V823-L827 HydrophobicContact CG1-CD1 3.89Å; V823-L827 HydrophobicContact CG1-CG 4.41Å; V823-L827 WeakPolarHBondContact O-CG 3.23Å; V823-L827 PolarHBondContact O-N 2.62Å; D824-L827 PolarHBondContact O-N 3.37Å; L827-H829 VanDerWaalsContact C-N 3.26Å; L827-H829 PolarHBondContact O-N 2.81Å; L827-Q833 WeakPolarHBondContact O-CG 3.39Å; L827-Q833 PolarHBondContact O-NE2 3.34Å
828	S	96.6	Very high	96	Very high	89 Å²	89	53.8 Å²	53.8	62%	0.622	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	3.1	175.8	-57.7	0	0	0	0	115.1	D824 S826	D824-S828 WeakPolarHBondContact O-CB 2.95Å; D824-S828 PolarHBondContact O-N 3.26Å; D824-S828 PolarHBondContact O-OG 2.67Å; D824-S828 VanDerWaalsContact O-OG 3.11Å; S826-S828 VanDerWaalsContact C-N 3.32Å; S826-S828 PolarHBondContact O-N 3.4Å
829	H	98.2	Very high	96.4	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.069	23%	0.225	C	C	.	.	S	Bend	trans	-74.5	138.6	-178.6	-173.3	-85.5	0	0	0	111.4	E804 D807 L808 F821 K825 S826 L827 W831 L832 Q833	E804-H829 WeakPolarHBondContact CA-CE1 3.43Å; E804-H829 PolarHBondContact O-CE1 2.81Å; D807-H829 VanDerWaalsContact CB-NE2 3.34Å; D807-H829 WeakPolarHBondContact CB-NE2 3.35Å; D807-H829 IonicContact OD1-NE2 2.82Å; D807-H829 IonicContact OD2-CD2 3.81Å; D807-H829 IonicContact OD2-CE1 3.27Å; D807-H829 CovalentContact OD2-NE2 1.76Å; D807-H829 IonicContact OD2-NE2 3.74Å; D807-H829 PolarHBondContact OD2-NE2 3.44Å; L808-H829 HydrophobicContact CD1-CB 3.99Å; F821-H829 AromaticContact CE2-CD2 3.95Å; K825-H829 PolarHBondContact O-N 3.18Å; S826-H829 VanDerWaalsContact O-CB 3.27Å; S826-H829 WeakPolarHBondContact O-CB 3.39Å; S826-H829 PolarHBondContact O-N 3.12Å; S826-H829 VanDerWaalsContact O-N 3.13Å; L827-H829 VanDerWaalsContact C-N 3.26Å; L827-H829 PolarHBondContact O-N 2.81Å; H829-W831 VanDerWaalsContact ND1-CB 3.31Å; H829-W831 WeakPolarHBondContact ND1-CB 3.43Å; H829-W831 PolarHBondContact ND1-N 3.08Å; H829-W831 PolarHBondContact O-N 2.85Å; H829-L832 PolarHBondContact O-N 3.12Å; H829-Q833 WeakPolarHBondContact O-CG 3.36Å; H829-Q833 PolarHBondContact O-N 3.38Å
830	P	97.1	Very high	96.6	Very high	87 Å²	87	37.3 Å²	37.3	57%	0.565	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-31.5	-179.8	-31.7	37.1	0	0	0	115.3	L832 Q833	P830-L832 VanDerWaalsContact C-N 3.28Å; P830-L832 PolarHBondContact O-N 3.27Å; P830-Q833 PolarHBondContact O-N 2.77Å
831	W	98.2	Very high	96.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.008	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.3	177.6	-170.9	66	0	0	0	113.6	E673 T676 K677 V766 L770 S802 E804 A805 L808 H829	E673-W831 HydrophobicContact CB-CZ2 4.45Å; E673-W831 HydrophobicContact CG-CZ2 4.29Å; E673-W831 PolarHBondContact OE2-NE1 2.77Å; T676-W831 HydrophobicContact CG2-CH2 3.93Å; K677-W831 WeakPolarHBondContact CD-O 3.34Å; K677-W831 WeakPolarHBondContact CE-O 3.45Å; K677-W831 HydrophobicContact CG-CD2 3.94Å; K677-W831 HydrophobicContact CG-CE3 4.11Å; K677-W831 HydrophobicContact CG-CH2 3.89Å; K677-W831 HydrophobicContact CG-CZ2 3.65Å; K677-W831 HydrophobicContact CG-CZ3 4.1Å; K677-W831 PolarHBondContact NZ-O 2.87Å; V766-W831 HydrophobicContact CG1-CH2 3.93Å; V766-W831 HydrophobicContact CG1-CZ3 4.14Å; L770-W831 HydrophobicContact CD1-CH2 4.33Å; L770-W831 HydrophobicContact CD1-CZ2 3.93Å; L770-W831 HydrophobicContact CD2-CZ2 4.36Å; S802-W831 PolarHBondContact OG-NE1 3Å; E804-W831 HydrophobicContact CB-CB 3.99Å; E804-W831 HydrophobicContact CB-CG 4.34Å; A805-W831 HydrophobicContact CB-CD2 4.36Å; A805-W831 HydrophobicContact CB-CG 4.43Å; A805-W831 HydrophobicContact CB-CZ2 4.12Å; A805-W831 VanDerWaalsContact N-CD1 3.3Å; L808-W831 HydrophobicContact CD2-CD2 4.37Å; L808-W831 HydrophobicContact CD2-CE3 3.45Å; L808-W831 VanDerWaalsContact CD2-CE3 3.45Å; L808-W831 HydrophobicContact CD2-CZ3 4Å; H829-W831 VanDerWaalsContact ND1-CB 3.31Å; H829-W831 WeakPolarHBondContact ND1-CB 3.43Å; H829-W831 PolarHBondContact ND1-N 3.08Å; H829-W831 PolarHBondContact O-N 2.85Å
832	L	97.3	Very high	96.5	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.8	176.6	-61.1	-176.5	0	0	0	113.2	K677 V680 L684 L808 H829 P830	K677-L832 HydrophobicContact CB-CD2 3.89Å; K677-L832 HydrophobicContact CG-CD2 4.04Å; V680-L832 HydrophobicContact CG1-CD1 4.31Å; L684-L832 HydrophobicContact CD1-CD1 3.5Å; L684-L832 VanDerWaalsContact CD1-CD1 3.5Å; L808-L832 HydrophobicContact CD2-CG 4.5Å; H829-L832 PolarHBondContact O-N 3.12Å; P830-L832 VanDerWaalsContact C-N 3.28Å; P830-L832 PolarHBondContact O-N 3.27Å
833	Q	94.7	Very high	96.4	Very high	63 Å²	63	36.6 Å²	36.6	29%	0.294	19%	0.192	S	C	.	.			trans	-106.2	56.1	-172	-67.8	-65.8	-43.5	0	0	111.4	L827 H829 P830 R861 W862	L827-Q833 WeakPolarHBondContact O-CG 3.39Å; L827-Q833 PolarHBondContact O-NE2 3.34Å; H829-Q833 WeakPolarHBondContact O-CG 3.36Å; H829-Q833 PolarHBondContact O-N 3.38Å; P830-Q833 PolarHBondContact O-N 2.77Å; Q833-R861 VanDerWaalsContact OE1-CZ 3.25Å; Q833-W862 WeakPolarHBondContact O-CH2 3.5Å
834	D	93.8	Very high	96.3	Very high	42 Å²	42	36.7 Å²	36.7	23%	0.225	19%	0.192	C	C	.	.	S	Bend	trans	-120.9	155.4	175.2	83	75.1	0	0	0	112.8	K677 Q836 T837 W838	K677-D834 WeakPolarHBondContact CD-OD2 3.35Å; K677-D834 IonicContact NZ-OD2 2.67Å; K677-D834 PolarHBondContact NZ-OD2 3.37Å; D834-Q836 VanDerWaalsContact C-N 3.35Å; D834-Q836 PolarHBondContact O-N 3.49Å; D834-Q836 WeakPolarHBondContact OD1-CA 3.01Å; D834-Q836 WeakPolarHBondContact OD1-CB 3.19Å; D834-Q836 PolarHBondContact OD1-N 3.34Å; D834-T837 PolarHBondContact O-N 3.26Å; D834-T837 PolarHBondContact OD1-N 2.67Å; D834-T837 PolarHBondContact OD1-OG1 3.18Å; D834-T837 WeakPolarHBondContact OD2-CB 3.28Å; D834-T837 PolarHBondContact OD2-OG1 3.19Å; D834-W838 PolarHBondContact O-N 3.19Å
835	Y	94.9	Very high	96.2	Very high	23 Å²	23	32.3 Å²	32.3	9%	0.09	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-36.9	-175	-173.1	-116.7	0	0	0	113.6	W838 L839 W862 H865 A866 L871 E872	Y835-W838 AromaticContact CD2-CE3 3.79Å; Y835-W838 HydrophobicContact CD2-CE3 3.79Å; Y835-W838 HydrophobicContact CD2-CZ3 4.06Å; Y835-W838 AromaticContact CE2-CE3 3.65Å; Y835-W838 HydrophobicContact CE2-CE3 3.65Å; Y835-W838 AromaticContact CE2-CZ3 3.42Å; Y835-W838 HydrophobicContact CE2-CZ3 3.42Å; Y835-W838 VanDerWaalsContact CE2-CZ3 3.42Å; Y835-W838 PolarHBondContact O-N 3.24Å; Y835-L839 HydrophobicContact CD1-CD1 3.86Å; Y835-L839 HydrophobicContact CD1-CG 4.36Å; Y835-L839 HydrophobicContact CE1-CD1 3.55Å; Y835-L839 HydrophobicContact CE1-CG 4.1Å; Y835-L839 HydrophobicContact CE2-CG 4.49Å; Y835-L839 WeakPolarHBondContact O-CB 3.48Å; Y835-L839 WeakPolarHBondContact O-CG 3.42Å; Y835-L839 PolarHBondContact O-N 3.42Å; Y835-W862 HydrophobicContact CD2-CB 3.88Å; Y835-W862 AromaticContact CD2-CD2 3.96Å; Y835-W862 HydrophobicContact CD2-CD2 3.96Å; Y835-W862 AromaticContact CD2-CE3 3.6Å; Y835-W862 HydrophobicContact CD2-CE3 3.6Å; Y835-W862 HydrophobicContact CD2-CG 4.11Å; Y835-W862 HydrophobicContact CD2-CZ3 4.44Å; Y835-W862 HydrophobicContact CE2-CB 3.93Å; Y835-W862 HydrophobicContact CG-CE3 4.21Å; Y835-H865 AromaticContact CD2-ND1 3.96Å; Y835-H865 AromaticContact CG-ND1 3.97Å; Y835-A866 HydrophobicContact CE2-CB 4Å; Y835-A866 WeakPolarHBondContact OH-CB 3.41Å; Y835-L871 HydrophobicContact CD1-CD1 3.66Å; Y835-L871 HydrophobicContact CE1-CB 3.98Å; Y835-L871 HydrophobicContact CE1-CD1 3.85Å; Y835-L871 HydrophobicContact CG-CD1 4.39Å; Y835-E872 PolarHBondContact OH-O 2.87Å
836	Q	95.5	Very high	96	Very high	74 Å²	74	28.3 Å²	28.3	35%	0.346	15%	0.154	S	C	.	.	H	α-helix	trans	-72.2	-38.9	180	-177.9	63.3	89.5	0	0	111.2	R674 D834 L839 D840	R674-Q836 HydrophobicContact CG-CG 4.46Å; D834-Q836 VanDerWaalsContact C-N 3.35Å; D834-Q836 PolarHBondContact O-N 3.49Å; D834-Q836 WeakPolarHBondContact OD1-CA 3.01Å; D834-Q836 WeakPolarHBondContact OD1-CB 3.19Å; D834-Q836 PolarHBondContact OD1-N 3.34Å; Q836-L839 PolarHBondContact O-N 3.48Å; Q836-D840 PolarHBondContact NE2-OD1 2.96Å; Q836-D840 PolarHBondContact O-N 3.47Å
837	T	96.1	Very high	95.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-41.4	173.5	-61.9	0	0	0	0	111	K677 D834 L841	K677-T837 HydrophobicContact CB-CG2 4.11Å; K677-T837 WeakPolarHBondContact CD-OG1 3.5Å; D834-T837 PolarHBondContact O-N 3.26Å; D834-T837 PolarHBondContact OD1-N 2.67Å; D834-T837 PolarHBondContact OD1-OG1 3.18Å; D834-T837 WeakPolarHBondContact OD2-CB 3.28Å; D834-T837 PolarHBondContact OD2-OG1 3.19Å; T837-L841 HydrophobicContact CG2-CD1 4.06Å; T837-L841 WeakPolarHBondContact O-CD1 3.22Å; T837-L841 WeakPolarHBondContact O-CG 3.18Å; T837-L841 PolarHBondContact O-N 3.13Å
838	W	95.9	Very high	95.4	Very high	9 Å²	9	36.1 Å²	36.1	3%	0.034	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-47.4	172.9	169.6	82	0	0	0	112.1	D834 Y835 D840 L841 R842 D859 W862 Y873 F877	D834-W838 PolarHBondContact O-N 3.19Å; Y835-W838 AromaticContact CD2-CE3 3.79Å; Y835-W838 HydrophobicContact CD2-CE3 3.79Å; Y835-W838 HydrophobicContact CD2-CZ3 4.06Å; Y835-W838 AromaticContact CE2-CE3 3.65Å; Y835-W838 HydrophobicContact CE2-CE3 3.65Å; Y835-W838 AromaticContact CE2-CZ3 3.42Å; Y835-W838 HydrophobicContact CE2-CZ3 3.42Å; Y835-W838 VanDerWaalsContact CE2-CZ3 3.42Å; Y835-W838 PolarHBondContact O-N 3.24Å; W838-D840 VanDerWaalsContact C-N 3.35Å; W838-D840 PolarHBondContact O-N 3.48Å; W838-L841 PolarHBondContact O-N 2.76Å; W838-L841 VanDerWaalsContact O-N 3.15Å; W838-R842 HydrophobicContact CD2-CG 3.98Å; W838-R842 VanDerWaalsContact CE2-CG 3.44Å; W838-R842 HydrophobicContact CG-CG 4.22Å; W838-R842 HydrophobicContact CZ2-CG 3.77Å; W838-R842 WeakPolarHBondContact O-CG 3.36Å; W838-R842 PolarHBondContact O-N 3.42Å; W838-D859 HydrophobicContact CZ2-CB 4.42Å; W838-D859 WeakPolarHBondContact CZ2-OD1 3.46Å; W838-D859 PolarHBondContact NE1-OD1 3.01Å; W838-W862 HydrophobicContact CB-CG 4.3Å; W838-W862 AromaticContact CD1-CD1 3.35Å; W838-W862 AromaticContact CD1-NE1 3.76Å; W838-W862 HydrophobicContact CD2-CB 3.77Å; W838-W862 AromaticContact CD2-CD1 3.39Å; W838-W862 AromaticContact CD2-CG 3.68Å; W838-W862 HydrophobicContact CD2-CG 3.68Å; W838-W862 AromaticContact CE2-CD1 3.69Å; W838-W862 HydrophobicContact CE3-CB 3.69Å; W838-W862 AromaticContact CE3-CG 3.91Å; W838-W862 HydrophobicContact CE3-CG 3.91Å; W838-W862 HydrophobicContact CG-CB 4.47Å; W838-W862 AromaticContact CG-CD1 3.17Å; W838-W862 AromaticContact CG-CG 3.87Å; W838-W862 HydrophobicContact CG-CG 3.87Å; W838-W862 AromaticContact CG-NE1 3.53Å; W838-W862 HydrophobicContact CH2-CB 4.07Å; W838-W862 HydrophobicContact CZ2-CB 4.1Å; W838-W862 HydrophobicContact CZ3-CB 3.85Å; W838-W862 AromaticContact NE1-CD1 3.61Å; W838-Y873 AromaticContact CH2-CD2 3.95Å; W838-Y873 HydrophobicContact CH2-CD2 3.95Å; W838-Y873 AromaticContact CH2-CE2 3.31Å; W838-Y873 HydrophobicContact CH2-CE2 3.31Å; W838-Y873 AromaticContact CH2-CZ 3.77Å; W838-Y873 HydrophobicContact CZ2-CE2 4.04Å; W838-Y873 HydrophobicContact CZ3-CD2 4.32Å; W838-Y873 HydrophobicContact CZ3-CE2 4.07Å; W838-F877 HydrophobicContact CH2-CD2 4.32Å; W838-F877 AromaticContact CH2-CE2 3.69Å; W838-F877 HydrophobicContact CH2-CE2 3.69Å; W838-F877 HydrophobicContact CZ2-CE2 4.2Å; W838-F877 HydrophobicContact CZ3-CE2 4.2Å
839	L	95.9	Very high	95.1	Very high	30 Å²	30	34.6 Å²	34.6	16%	0.157	19%	0.185	C	C	.	.	H	α-helix	trans	-55.2	-47.3	176.3	-78	175.9	0	0	0	112.2	Y835 Q836 L841 R842 E843 P874 F877	Y835-L839 HydrophobicContact CD1-CD1 3.86Å; Y835-L839 HydrophobicContact CD1-CG 4.36Å; Y835-L839 HydrophobicContact CE1-CD1 3.55Å; Y835-L839 HydrophobicContact CE1-CG 4.1Å; Y835-L839 HydrophobicContact CE2-CG 4.49Å; Y835-L839 WeakPolarHBondContact O-CB 3.48Å; Y835-L839 WeakPolarHBondContact O-CG 3.42Å; Y835-L839 PolarHBondContact O-N 3.42Å; Q836-L839 PolarHBondContact O-N 3.48Å; L839-L841 VanDerWaalsContact C-N 3.26Å; L839-L841 PolarHBondContact O-N 2.82Å; L839-R842 PolarHBondContact O-N 3.07Å; L839-E843 VanDerWaalsContact O-CB 3.26Å; L839-E843 WeakPolarHBondContact O-CB 3.47Å; L839-E843 PolarHBondContact O-N 3.06Å; L839-P874 HydrophobicContact CD2-CG 3.81Å; L839-F877 HydrophobicContact CD2-CE2 4.21Å; L839-F877 HydrophobicContact CD2-CZ 3.83Å
840	D	96.7	Very high	94.7	Very high	14 Å²	14	38.4 Å²	38.4	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-37.6	180	-68.4	-12.9	0	0	0	111.6	R674 F678 F713 Q836 W838 F844	R674-D840 VanDerWaalsContact CG-OD2 3.25Å; R674-D840 WeakPolarHBondContact CG-OD2 3.42Å; R674-D840 IonicContact CZ-OD1 3.82Å; R674-D840 IonicContact CZ-OD2 3.52Å; R674-D840 IonicContact NE-OD1 2.81Å; R674-D840 PolarHBondContact NE-OD1 2.82Å; R674-D840 IonicContact NE-OD2 3.56Å; R674-D840 PolarHBondContact NE-OD2 2.88Å; R674-D840 IonicContact NH2-OD1 3.78Å; R674-D840 PolarHBondContact NH2-OD1 3.28Å; R674-D840 IonicContact NH2-OD2 3.34Å; F678-D840 HydrophobicContact CD2-CB 3.91Å; F678-D840 HydrophobicContact CE2-CB 4.46Å; F678-D840 WeakPolarHBondContact CE2-O 3.4Å; F713-D840 HydrophobicContact CD1-CB 4.29Å; F713-D840 HydrophobicContact CE1-CB 4.15Å; F713-D840 VanDerWaalsContact CE1-OD2 3.28Å; F713-D840 WeakPolarHBondContact CE1-OD2 3.4Å; Q836-D840 PolarHBondContact NE2-OD1 2.96Å; Q836-D840 PolarHBondContact O-N 3.47Å; W838-D840 VanDerWaalsContact C-N 3.35Å; W838-D840 PolarHBondContact O-N 3.48Å; D840-F844 WeakPolarHBondContact O-CB 3.34Å; D840-F844 PolarHBondContact O-N 2.86Å; D840-F844 VanDerWaalsContact O-N 3.1Å
841	L	96.6	Very high	94.4	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-74.2	-42.2	178.3	-66.5	169.2	0	0	0	112.5	F678 T681 T837 W838 L839 F844 E845 I853 T854	F678-L841 HydrophobicContact CD2-CD2 3.45Å; F678-L841 VanDerWaalsContact CD2-CD2 3.45Å; F678-L841 HydrophobicContact CD2-CG 4.02Å; F678-L841 HydrophobicContact CE2-CD2 3.72Å; F678-L841 HydrophobicContact CE2-CG 4.46Å; F678-L841 HydrophobicContact CG-CD2 4.22Å; T681-L841 HydrophobicContact CG2-CD1 3.74Å; T837-L841 HydrophobicContact CG2-CD1 4.06Å; T837-L841 WeakPolarHBondContact O-CD1 3.22Å; T837-L841 WeakPolarHBondContact O-CG 3.18Å; T837-L841 PolarHBondContact O-N 3.13Å; W838-L841 PolarHBondContact O-N 2.76Å; W838-L841 VanDerWaalsContact O-N 3.15Å; L839-L841 VanDerWaalsContact C-N 3.26Å; L839-L841 PolarHBondContact O-N 2.82Å; L841-F844 PolarHBondContact O-N 3.35Å; L841-E845 WeakPolarHBondContact O-CG 3.35Å; L841-E845 PolarHBondContact O-N 3.23Å; L841-I853 HydrophobicContact CD1-CG2 4.25Å; L841-I853 HydrophobicContact CD2-CD1 3.99Å; L841-I853 HydrophobicContact CD2-CG2 4.15Å; L841-T854 HydrophobicContact CB-CG2 3.83Å
842	R	94.7	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67	-37.9	176.2	-61.8	-57.7	-80.4	115.4	1.7	112.3	W838 L839 F844 E845 T846 R851 T854 D859 F877 I878	W838-R842 HydrophobicContact CD2-CG 3.98Å; W838-R842 VanDerWaalsContact CE2-CG 3.44Å; W838-R842 HydrophobicContact CG-CG 4.22Å; W838-R842 HydrophobicContact CZ2-CG 3.77Å; W838-R842 WeakPolarHBondContact O-CG 3.36Å; W838-R842 PolarHBondContact O-N 3.42Å; L839-R842 PolarHBondContact O-N 3.07Å; R842-F844 VanDerWaalsContact C-N 3.34Å; R842-E845 WeakPolarHBondContact CD-OE2 3.48Å; R842-E845 IonicContact CZ-OE2 3.4Å; R842-E845 IonicContact NE-OE2 3.67Å; R842-E845 IonicContact NH1-OE2 2.68Å; R842-E845 PolarHBondContact NH1-OE2 2.66Å; R842-E845 PolarHBondContact O-N 2.87Å; R842-T846 VanDerWaalsContact O-CB 3.23Å; R842-T846 WeakPolarHBondContact O-CB 3.5Å; R842-T846 PolarHBondContact O-N 2.9Å; R842-T846 PolarHBondContact O-OG1 3.01Å; R842-R851 VanDerWaalsContact CZ-NH2 3.28Å; R842-R851 VanDerWaalsContact NE-NH2 3.1Å; R842-T854 WeakPolarHBondContact CD-OG1 3.47Å; R842-T854 HydrophobicContact CG-CG2 4.43Å; R842-D859 IonicContact CZ-OD1 2.73Å; R842-D859 IonicContact CZ-OD2 3.09Å; R842-D859 IonicContact NE-OD1 2.68Å; R842-D859 PolarHBondContact NE-OD1 2.92Å; R842-D859 IonicContact NE-OD2 2.8Å; R842-D859 IonicContact NH2-OD1 2.63Å; R842-D859 IonicContact NH2-OD2 2.71Å; R842-D859 PolarHBondContact NH2-OD2 3.36Å; R842-D859 VanDerWaalsContact NH2-OD2 3.08Å; R842-F877 HydrophobicContact CB-CD1 3.79Å; R842-F877 HydrophobicContact CB-CD2 3.9Å; R842-F877 HydrophobicContact CB-CE1 3.66Å; R842-F877 HydrophobicContact CB-CE2 3.78Å; R842-F877 HydrophobicContact CB-CG 3.91Å; R842-F877 HydrophobicContact CB-CZ 3.64Å; R842-F877 HydrophobicContact CG-CD2 4.34Å; R842-F877 HydrophobicContact CG-CE2 4.24Å; R842-I878 PolarHBondContact NH2-O 2.82Å
843	E	95	Very high	94	Very high	73 Å²	73	37.8 Å²	37.8	34%	0.341	19%	0.19	S	C	.	.	H	α-helix	trans	-64.6	-39.4	174.1	-179.4	57.1	-149.9	0	0	111.4	L839 R847 H876 F877	L839-E843 VanDerWaalsContact O-CB 3.26Å; L839-E843 WeakPolarHBondContact O-CB 3.47Å; L839-E843 PolarHBondContact O-N 3.06Å; E843-R847 WeakPolarHBondContact O-CB 3.42Å; E843-R847 PolarHBondContact O-N 3.12Å; E843-H876 IonicContact OE2-CD2 3.65Å; E843-H876 IonicContact OE2-CE1 2.79Å; E843-H876 IonicContact OE2-NE2 2.71Å; E843-H876 PolarHBondContact OE2-NE2 3.06Å; E843-F877 HydrophobicContact CB-CE1 4.36Å
844	F	95.4	Very high	94	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-50.7	172.7	167.2	-97	0	0	0	112.5	F678 Q715 D840 L841 R842 T846 R847 I848 Y852 I853	F678-F844 HydrophobicContact CE2-CB 3.72Å; F678-F844 HydrophobicContact CE2-CG 4.07Å; F678-F844 HydrophobicContact CZ-CB 3.88Å; F678-F844 HydrophobicContact CZ-CD1 4.39Å; F678-F844 AromaticContact CZ-CD2 3.97Å; F678-F844 HydrophobicContact CZ-CD2 3.97Å; F678-F844 AromaticContact CZ-CG 3.8Å; F678-F844 HydrophobicContact CZ-CG 3.8Å; Q715-F844 HydrophobicContact CB-CE2 3.77Å; Q715-F844 HydrophobicContact CB-CZ 3.57Å; Q715-F844 HydrophobicContact CG-CZ 3.84Å; D840-F844 WeakPolarHBondContact O-CB 3.34Å; D840-F844 PolarHBondContact O-N 2.86Å; D840-F844 VanDerWaalsContact O-N 3.1Å; L841-F844 PolarHBondContact O-N 3.35Å; R842-F844 VanDerWaalsContact C-N 3.34Å; F844-T846 VanDerWaalsContact C-N 3.26Å; F844-T846 PolarHBondContact O-N 3.45Å; F844-R847 WeakPolarHBondContact O-CB 3.19Å; F844-R847 PolarHBondContact O-N 3.17Å; F844-I848 HydrophobicContact CD1-CD1 4.48Å; F844-I848 HydrophobicContact CD2-CG2 4.42Å; F844-I848 HydrophobicContact CE1-CD1 3.75Å; F844-I848 HydrophobicContact CE2-CG2 3.82Å; F844-I848 HydrophobicContact CZ-CD1 3.9Å; F844-I848 HydrophobicContact CZ-CG2 3.92Å; F844-I848 PolarHBondContact O-N 2.88Å; F844-I848 VanDerWaalsContact O-N 3.11Å; F844-Y852 AromaticContact CE1-CE1 3.97Å; F844-Y852 HydrophobicContact CE1-CE1 3.97Å; F844-I853 HydrophobicContact CD1-CD1 3.74Å; F844-I853 HydrophobicContact CE1-CD1 3.73Å
845	E	94.8	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-55.4	-42.5	176.4	-74.3	178.2	144.5	0	0	111.5	L841 R842 R847 I848 G849 E850 R851 Y852 I853 T854 I878	L841-E845 WeakPolarHBondContact O-CG 3.35Å; L841-E845 PolarHBondContact O-N 3.23Å; R842-E845 WeakPolarHBondContact CD-OE2 3.48Å; R842-E845 IonicContact CZ-OE2 3.4Å; R842-E845 IonicContact NE-OE2 3.67Å; R842-E845 IonicContact NH1-OE2 2.68Å; R842-E845 PolarHBondContact NH1-OE2 2.66Å; R842-E845 PolarHBondContact O-N 2.87Å; E845-R847 PolarHBondContact O-N 2.75Å; E845-I848 VanDerWaalsContact O-CG1 3.22Å; E845-I848 WeakPolarHBondContact O-CG1 3.42Å; E845-I848 PolarHBondContact O-N 2.93Å; E845-G849 PolarHBondContact O-N 3.34Å; E845-E850 WeakPolarHBondContact CB-O 3.33Å; E845-E850 PolarHBondContact O-N 2.83Å; E845-R851 WeakPolarHBondContact OE1-CG 3.47Å; E845-Y852 PolarHBondContact OE1-N 2.87Å; E845-Y852 VanDerWaalsContact OE1-N 3.11Å; E845-I853 HydrophobicContact CG-CD1 4.4Å; E845-I853 WeakPolarHBondContact OE1-CA 3.07Å; E845-I853 WeakPolarHBondContact OE1-CB 3.41Å; E845-I853 PolarHBondContact OE1-N 3.38Å; E845-T854 PolarHBondContact OE1-N 3.09Å; E845-T854 PolarHBondContact OE2-OG1 2.95Å; E845-I878 HydrophobicContact CB-CD1 4.45Å; E845-I878 VanDerWaalsContact O-CD1 3.26Å; E845-I878 WeakPolarHBondContact O-CD1 3.44Å
846	T	93.3	Very high	93.3	Very high	30 Å²	30	41.7 Å²	41.7	18%	0.184	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-35.1	177.2	-58.8	0	0	0	0	112.6	R842 F844 H876 F877 I878	R842-T846 VanDerWaalsContact O-CB 3.23Å; R842-T846 WeakPolarHBondContact O-CB 3.5Å; R842-T846 PolarHBondContact O-N 2.9Å; R842-T846 PolarHBondContact O-OG1 3.01Å; F844-T846 VanDerWaalsContact C-N 3.26Å; F844-T846 PolarHBondContact O-N 3.45Å; T846-H876 WeakPolarHBondContact CG2-O 3.46Å; T846-F877 WeakPolarHBondContact OG1-CA 3.22Å; T846-I878 HydrophobicContact CG2-CG2 4.26Å; T846-I878 PolarHBondContact OG1-N 2.95Å; T846-I878 VanDerWaalsContact OG1-N 3.16Å
847	R	92.4	Very high	92.9	Very high	118 Å²	118	41.3 Å²	41.3	45%	0.445	21%	0.214	S	C	.	.	H	α-helix	trans	-70.5	-33.6	176.4	-166.2	-175.1	-50.4	138.8	24.7	113.1	E711 E843 F844 E845	E711-R847 IonicContact OE2-CZ 3.85Å; E711-R847 IonicContact OE2-NH1 3.41Å; E711-R847 PolarHBondContact OE2-NH1 3.38Å; E843-R847 WeakPolarHBondContact O-CB 3.42Å; E843-R847 PolarHBondContact O-N 3.12Å; F844-R847 WeakPolarHBondContact O-CB 3.19Å; F844-R847 PolarHBondContact O-N 3.17Å; E845-R847 PolarHBondContact O-N 2.75Å
848	I	89.8	Confident	92.6	Very high	67 Å²	67	42.6 Å²	42.6	34%	0.344	22%	0.221	S	C	.	.	H	α-helix	trans	-88.2	-18.1	178.4	64.3	169.6	0	0	0	113.5	F844 E845 E850 Y852	F844-I848 HydrophobicContact CD1-CD1 4.48Å; F844-I848 HydrophobicContact CD2-CG2 4.42Å; F844-I848 HydrophobicContact CE1-CD1 3.75Å; F844-I848 HydrophobicContact CE2-CG2 3.82Å; F844-I848 HydrophobicContact CZ-CD1 3.9Å; F844-I848 HydrophobicContact CZ-CG2 3.92Å; F844-I848 PolarHBondContact O-N 2.88Å; F844-I848 VanDerWaalsContact O-N 3.11Å; E845-I848 VanDerWaalsContact O-CG1 3.22Å; E845-I848 WeakPolarHBondContact O-CG1 3.42Å; E845-I848 PolarHBondContact O-N 2.93Å; I848-E850 HydrophobicContact CD1-CB 4.19Å; I848-E850 HydrophobicContact CG1-CB 4.35Å; I848-Y852 HydrophobicContact CD1-CD1 4.03Å; I848-Y852 HydrophobicContact CD1-CE1 3.54Å
849	G	90.5	Very high	92.3	Very high	57 Å²	57	42.9 Å²	42.9	59%	0.588	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.3	14.1	-179	0	0	0	0	0	114.9	E845	E845-G849 PolarHBondContact O-N 3.34Å
850	E	90.1	Very high	91.9	Very high	94 Å²	94	44.6 Å²	44.6	44%	0.439	24%	0.241	S	C	.	.			trans	-137.4	130.9	-177.4	-174.4	-177.2	-175.5	0	0	110.5	P633 E845 I848 Y852	P633-E850 VanDerWaalsContact CG-CD 3.45Å; P633-E850 WeakPolarHBondContact CG-OE1 3.46Å; P633-E850 WeakPolarHBondContact CG-OE2 3.11Å; E845-E850 WeakPolarHBondContact CB-O 3.33Å; E845-E850 PolarHBondContact O-N 2.83Å; I848-E850 HydrophobicContact CD1-CB 4.19Å; I848-E850 HydrophobicContact CG1-CB 4.35Å; E850-Y852 HydrophobicContact CG-CD1 4.48Å
851	R	91.8	Very high	91.6	Very high	44 Å²	44	48.3 Å²	48.3	17%	0.166	25%	0.254	C	S	.	.			trans	-96.1	116.9	171.6	-168.9	-170.1	-164.6	139.7	22.6	109.5	R842 E845 T854 H855 E856 D859	R842-R851 VanDerWaalsContact CZ-NH2 3.28Å; R842-R851 VanDerWaalsContact NE-NH2 3.1Å; E845-R851 WeakPolarHBondContact OE1-CG 3.47Å; R851-T854 PolarHBondContact NE-O 3.43Å; R851-T854 PolarHBondContact NE-OG1 3.35Å; R851-T854 VanDerWaalsContact NE-OG1 3.1Å; R851-T854 PolarHBondContact NH2-OG1 3.22Å; R851-H855 PolarHBondContact NH2-O 2.85Å; R851-H855 VanDerWaalsContact NH2-O 3.16Å; R851-E856 WeakPolarHBondContact CD-OE1 3.45Å; R851-E856 IonicContact CZ-OE1 2.83Å; R851-E856 VanDerWaalsContact CZ-OE1 3.23Å; R851-E856 IonicContact NE-OE1 2.7Å; R851-E856 PolarHBondContact NE-OE1 2.97Å; R851-E856 IonicContact NH1-OE1 3.95Å; R851-E856 PolarHBondContact NH1-OE1 2.87Å; R851-D859 IonicContact CZ-OD1 2.8Å; R851-D859 IonicContact CZ-OD2 2.8Å; R851-D859 VanDerWaalsContact CZ-OD2 3.27Å; R851-D859 IonicContact NH1-OD2 3.83Å; R851-D859 PolarHBondContact NH1-OD2 3.2Å; R851-D859 IonicContact NH2-OD1 3.41Å; R851-D859 PolarHBondContact NH2-OD1 3.44Å; R851-D859 IonicContact NH2-OD2 3.46Å; R851-D859 PolarHBondContact NH2-OD2 2.81Å
852	Y	92.6	Very high	91.5	Very high	26 Å²	26	48.8 Å²	48.8	10%	0.102	26%	0.255	C	S	.	.			trans	-143.4	-8.9	179	75.7	-89.9	0	0	0	114.7	P633 Q682 V685 Q715 F844 E845 I848 E850	P633-Y852 HydrophobicContact CB-CD1 3.81Å; P633-Y852 HydrophobicContact CB-CD2 4.11Å; P633-Y852 HydrophobicContact CB-CE1 3.61Å; P633-Y852 HydrophobicContact CB-CE2 3.95Å; P633-Y852 HydrophobicContact CB-CG 4.05Å; P633-Y852 HydrophobicContact CG-CD1 3.87Å; P633-Y852 HydrophobicContact CG-CD2 4.23Å; P633-Y852 HydrophobicContact CG-CE1 4.21Å; P633-Y852 HydrophobicContact CG-CG 3.88Å; Q682-Y852 PolarHBondContact OE1-OH 3.28Å; V685-Y852 HydrophobicContact CG1-CD2 4.15Å; V685-Y852 WeakPolarHBondContact CG1-O 3.44Å; Q715-Y852 PolarHBondContact NE2-OH 3.19Å; F844-Y852 AromaticContact CE1-CE1 3.97Å; F844-Y852 HydrophobicContact CE1-CE1 3.97Å; E845-Y852 PolarHBondContact OE1-N 2.87Å; E845-Y852 VanDerWaalsContact OE1-N 3.11Å; I848-Y852 HydrophobicContact CD1-CD1 4.03Å; I848-Y852 HydrophobicContact CD1-CE1 3.54Å; E850-Y852 HydrophobicContact CG-CD1 4.48Å
853	I	94.6	Very high	91.3	Very high	14 Å²	14	54.4 Å²	54.4	7%	0.072	28%	0.279	C	S	.	.	S	Bend	trans	-104.7	-53.1	-174.4	-49.1	169.8	0	0	0	110.2	T681 Q682 V685 L841 F844 E845	T681-I853 HydrophobicContact CG2-CG2 3.73Å; Q682-I853 HydrophobicContact CG-CD1 3.71Å; V685-I853 HydrophobicContact CG2-CG2 3.97Å; L841-I853 HydrophobicContact CD1-CG2 4.25Å; L841-I853 HydrophobicContact CD2-CD1 3.99Å; L841-I853 HydrophobicContact CD2-CG2 4.15Å; F844-I853 HydrophobicContact CD1-CD1 3.74Å; F844-I853 HydrophobicContact CE1-CD1 3.73Å; E845-I853 HydrophobicContact CG-CD1 4.4Å; E845-I853 WeakPolarHBondContact OE1-CA 3.07Å; E845-I853 WeakPolarHBondContact OE1-CB 3.41Å; E845-I853 PolarHBondContact OE1-N 3.38Å
854	T	93	Very high	91.2	Very high	16 Å²	16	57.2 Å²	57.2	10%	0.098	29%	0.293	C	S	.	.	S	Bend	trans	-92.7	160.5	-177.2	73.9	0	0	0	0	111.4	L841 R842 E845 R851	L841-T854 HydrophobicContact CB-CG2 3.83Å; R842-T854 WeakPolarHBondContact CD-OG1 3.47Å; R842-T854 HydrophobicContact CG-CG2 4.43Å; E845-T854 PolarHBondContact OE1-N 3.09Å; E845-T854 PolarHBondContact OE2-OG1 2.95Å; R851-T854 PolarHBondContact NE-O 3.43Å; R851-T854 PolarHBondContact NE-OG1 3.35Å; R851-T854 VanDerWaalsContact NE-OG1 3.1Å; R851-T854 PolarHBondContact NH2-OG1 3.22Å
855	H	89.1	Confident	91	Very high	111 Å²	111	59.4 Å²	59.4	51%	0.514	30%	0.303	S	S	.	.			trans	-119.3	156.3	179.9	-174.3	-111.6	0	0	0	111.4	R851 S857 D858	R851-H855 PolarHBondContact NH2-O 2.85Å; R851-H855 VanDerWaalsContact NH2-O 3.16Å; H855-S857 PolarHBondContact ND1-OG 3.47Å; H855-S857 PolarHBondContact O-N 2.84Å; H855-S857 VanDerWaalsContact O-N 3.11Å; H855-D858 PolarHBondContact N-OD2 3.15Å; H855-D858 WeakPolarHBondContact O-CA 3.19Å; H855-D858 WeakPolarHBondContact O-CB 3.4Å; H855-D858 PolarHBondContact O-N 2.77Å
856	E	86.3	Confident	91	Very high	83 Å²	83	59.4 Å²	59.4	39%	0.388	30%	0.303	S	S	.	.	H	α-helix	trans	-57.8	-31.4	-174.8	-70.8	54.9	-123.4	0	0	112.4	R851 D858 D859 A880	R851-E856 WeakPolarHBondContact CD-OE1 3.45Å; R851-E856 IonicContact CZ-OE1 2.83Å; R851-E856 VanDerWaalsContact CZ-OE1 3.23Å; R851-E856 IonicContact NE-OE1 2.7Å; R851-E856 PolarHBondContact NE-OE1 2.97Å; R851-E856 IonicContact NH1-OE1 3.95Å; R851-E856 PolarHBondContact NH1-OE1 2.87Å; E856-D858 PolarHBondContact O-N 3.19Å; E856-D859 PolarHBondContact O-N 3.11Å; E856-A880 HydrophobicContact CG-CB 4.18Å; E856-A880 WeakPolarHBondContact OE1-CB 3.41Å
857	S	86.4	Confident	91	Very high	66 Å²	66	67.3 Å²	67.3	46%	0.462	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-25.4	174	58.9	0	0	0	0	113.8	H855 R861	H855-S857 PolarHBondContact ND1-OG 3.47Å; H855-S857 PolarHBondContact O-N 2.84Å; H855-S857 VanDerWaalsContact O-N 3.11Å; S857-R861 WeakPolarHBondContact O-CB 3.5Å; S857-R861 PolarHBondContact O-N 2.77Å
858	D	89.3	Confident	91.2	Very high	29 Å²	29	67.7 Å²	67.7	16%	0.155	34%	0.337	C	S	.	.	H	α-helix	trans	-69.4	-42.5	176	-59.3	-39	0	0	0	110.4	H855 E856 A860 R861 W862	H855-D858 PolarHBondContact N-OD2 3.15Å; H855-D858 WeakPolarHBondContact O-CA 3.19Å; H855-D858 WeakPolarHBondContact O-CB 3.4Å; H855-D858 PolarHBondContact O-N 2.77Å; E856-D858 PolarHBondContact O-N 3.19Å; D858-A860 VanDerWaalsContact C-N 3.34Å; D858-A860 PolarHBondContact O-N 3.17Å; D858-R861 PolarHBondContact O-N 2.92Å; D858-R861 IonicContact OD1-CZ 3.41Å; D858-R861 IonicContact OD1-NE 3.74Å; D858-R861 IonicContact OD1-NH2 2.66Å; D858-R861 PolarHBondContact OD1-NH2 3.03Å; D858-W862 WeakPolarHBondContact O-CB 3.36Å; D858-W862 PolarHBondContact O-N 3.13Å
859	D	89.6	Confident	91.4	Very high	15 Å²	15	69.6 Å²	69.6	8%	0.08	35%	0.345	C	S	.	.	H	α-helix	trans	-61.4	-43.2	-178.3	-61	-16.8	0	0	0	111	W838 R842 R851 E856 K863 Y873	W838-D859 HydrophobicContact CZ2-CB 4.42Å; W838-D859 WeakPolarHBondContact CZ2-OD1 3.46Å; W838-D859 PolarHBondContact NE1-OD1 3.01Å; R842-D859 IonicContact CZ-OD1 2.73Å; R842-D859 IonicContact CZ-OD2 3.09Å; R842-D859 IonicContact NE-OD1 2.68Å; R842-D859 PolarHBondContact NE-OD1 2.92Å; R842-D859 IonicContact NE-OD2 2.8Å; R842-D859 IonicContact NH2-OD1 2.63Å; R842-D859 IonicContact NH2-OD2 2.71Å; R842-D859 PolarHBondContact NH2-OD2 3.36Å; R842-D859 VanDerWaalsContact NH2-OD2 3.08Å; R851-D859 IonicContact CZ-OD1 2.8Å; R851-D859 IonicContact CZ-OD2 2.8Å; R851-D859 VanDerWaalsContact CZ-OD2 3.27Å; R851-D859 IonicContact NH1-OD2 3.83Å; R851-D859 PolarHBondContact NH1-OD2 3.2Å; R851-D859 IonicContact NH2-OD1 3.41Å; R851-D859 PolarHBondContact NH2-OD1 3.44Å; R851-D859 IonicContact NH2-OD2 3.46Å; R851-D859 PolarHBondContact NH2-OD2 2.81Å; E856-D859 PolarHBondContact O-N 3.11Å; D859-K863 WeakPolarHBondContact O-CB 3.29Å; D859-K863 PolarHBondContact O-N 2.95Å; D859-Y873 PolarHBondContact O-OH 2.83Å
860	A	87.6	Confident	91.5	Very high	65 Å²	65	74.2 Å²	74.2	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-49.7	175.3	0	0	0	0	0	112.5	D858 W862 K863 E864	D858-A860 VanDerWaalsContact C-N 3.34Å; D858-A860 PolarHBondContact O-N 3.17Å; A860-W862 PolarHBondContact O-N 3.22Å; A860-K863 PolarHBondContact O-N 3.11Å; A860-E864 PolarHBondContact O-N 2.83Å; A860-E864 VanDerWaalsContact O-N 3.16Å
861	R	91.6	Very high	91.7	Very high	93 Å²	93	73.6 Å²	73.6	35%	0.351	36%	0.355	S	S	.	.	H	α-helix	trans	-59	-45.7	178.7	170.9	174.6	60.7	137.7	-6.6	112.3	Q833 S857 D858 E864 H865	Q833-R861 VanDerWaalsContact OE1-CZ 3.25Å; S857-R861 WeakPolarHBondContact O-CB 3.5Å; S857-R861 PolarHBondContact O-N 2.77Å; D858-R861 PolarHBondContact O-N 2.92Å; D858-R861 IonicContact OD1-CZ 3.41Å; D858-R861 IonicContact OD1-NE 3.74Å; D858-R861 IonicContact OD1-NH2 2.66Å; D858-R861 PolarHBondContact OD1-NH2 3.03Å; R861-E864 PolarHBondContact O-N 2.81Å; R861-H865 WeakPolarHBondContact O-CB 3.3Å; R861-H865 PolarHBondContact O-N 3.12Å
862	W	93.8	Very high	91.6	Very high	18 Å²	18	79.7 Å²	79.7	7%	0.068	39%	0.386	C	S	.	.	H	α-helix	trans	-77.3	-22.8	-177.5	-69	122.8	0	0	0	112.9	Q833 Y835 W838 D858 A860 H865 A866	Q833-W862 WeakPolarHBondContact O-CH2 3.5Å; Y835-W862 HydrophobicContact CD2-CB 3.88Å; Y835-W862 AromaticContact CD2-CD2 3.96Å; Y835-W862 HydrophobicContact CD2-CD2 3.96Å; Y835-W862 AromaticContact CD2-CE3 3.6Å; Y835-W862 HydrophobicContact CD2-CE3 3.6Å; Y835-W862 HydrophobicContact CD2-CG 4.11Å; Y835-W862 HydrophobicContact CD2-CZ3 4.44Å; Y835-W862 HydrophobicContact CE2-CB 3.93Å; Y835-W862 HydrophobicContact CG-CE3 4.21Å; W838-W862 HydrophobicContact CB-CG 4.3Å; W838-W862 AromaticContact CD1-CD1 3.35Å; W838-W862 AromaticContact CD1-NE1 3.76Å; W838-W862 HydrophobicContact CD2-CB 3.77Å; W838-W862 AromaticContact CD2-CD1 3.39Å; W838-W862 AromaticContact CD2-CG 3.68Å; W838-W862 HydrophobicContact CD2-CG 3.68Å; W838-W862 AromaticContact CE2-CD1 3.69Å; W838-W862 HydrophobicContact CE3-CB 3.69Å; W838-W862 AromaticContact CE3-CG 3.91Å; W838-W862 HydrophobicContact CE3-CG 3.91Å; W838-W862 HydrophobicContact CG-CB 4.47Å; W838-W862 AromaticContact CG-CD1 3.17Å; W838-W862 AromaticContact CG-CG 3.87Å; W838-W862 HydrophobicContact CG-CG 3.87Å; W838-W862 AromaticContact CG-NE1 3.53Å; W838-W862 HydrophobicContact CH2-CB 4.07Å; W838-W862 HydrophobicContact CZ2-CB 4.1Å; W838-W862 HydrophobicContact CZ3-CB 3.85Å; W838-W862 AromaticContact NE1-CD1 3.61Å; D858-W862 WeakPolarHBondContact O-CB 3.36Å; D858-W862 PolarHBondContact O-N 3.13Å; A860-W862 PolarHBondContact O-N 3.22Å; W862-H865 HydrophobicContact CE3-CB 3.88Å; W862-H865 AromaticContact CE3-CG 3.72Å; W862-H865 AromaticContact CE3-ND1 3.79Å; W862-H865 HydrophobicContact CZ3-CB 4.32Å; W862-H865 AromaticContact CZ3-CD2 3.86Å; W862-H865 AromaticContact CZ3-CG 3.8Å; W862-H865 AromaticContact CZ3-ND1 3.93Å; W862-A866 WeakPolarHBondContact O-CB 3.37Å; W862-A866 PolarHBondContact O-N 3.33Å
863	K	91.3	Very high	91.4	Very high	117 Å²	117	80.3 Å²	80.3	51%	0.509	39%	0.388	S	S	.	.	H	α-helix	trans	-67.9	-42.7	169.2	-170.1	174.1	-178.2	173.5	0	112.6	D859 A860 Y867 Y873	D859-K863 WeakPolarHBondContact O-CB 3.29Å; D859-K863 PolarHBondContact O-N 2.95Å; A860-K863 PolarHBondContact O-N 3.11Å; K863-Y867 PolarHBondContact O-N 2.79Å; K863-Y867 VanDerWaalsContact O-N 3.11Å; K863-Y873 VanDerWaalsContact CA-CD2 3.44Å; K863-Y873 VanDerWaalsContact CA-CE2 3.41Å; K863-Y873 HydrophobicContact CB-CD2 3.84Å; K863-Y873 HydrophobicContact CB-CE2 3.45Å; K863-Y873 VanDerWaalsContact CB-CE2 3.45Å; K863-Y873 HydrophobicContact CD-CE1 4.47Å; K863-Y873 HydrophobicContact CG-CD2 4.14Å; K863-Y873 HydrophobicContact CG-CE1 4.47Å; K863-Y873 HydrophobicContact CG-CE2 4.05Å; K863-Y873 HydrophobicContact CG-CG 4.36Å
864	E	91.6	Very high	91.2	Very high	133 Å²	133	80.9 Å²	80.9	62%	0.621	39%	0.393	S	S	*	.	H	α-helix	trans	-64.2	-52.2	174.3	-173.2	164.2	-132	0	0	110.6	A860 R861 A866 Y867 E868	A860-E864 PolarHBondContact O-N 2.83Å; A860-E864 VanDerWaalsContact O-N 3.16Å; R861-E864 PolarHBondContact O-N 2.81Å; E864-A866 VanDerWaalsContact C-N 3.33Å; E864-A866 PolarHBondContact O-N 2.82Å; E864-Y867 WeakPolarHBondContact O-CB 3.38Å; E864-Y867 PolarHBondContact O-N 3.29Å; E864-Y867 VanDerWaalsContact O-N 3.09Å; E864-E868 WeakPolarHBondContact O-CG 3.4Å; E864-E868 PolarHBondContact O-N 3.23Å
865	H	92.6	Very high	90.8	Very high	51 Å²	51	87.4 Å²	87.4	24%	0.236	42%	0.422	C	S	.	.	H	α-helix	trans	-54.3	-44.4	175	172.7	-83.9	0	0	0	113.1	Y835 R861 W862 Y867 E868 H869	Y835-H865 AromaticContact CD2-ND1 3.96Å; Y835-H865 AromaticContact CG-ND1 3.97Å; R861-H865 WeakPolarHBondContact O-CB 3.3Å; R861-H865 PolarHBondContact O-N 3.12Å; W862-H865 HydrophobicContact CE3-CB 3.88Å; W862-H865 AromaticContact CE3-CG 3.72Å; W862-H865 AromaticContact CE3-ND1 3.79Å; W862-H865 HydrophobicContact CZ3-CB 4.32Å; W862-H865 AromaticContact CZ3-CD2 3.86Å; W862-H865 AromaticContact CZ3-CG 3.8Å; W862-H865 AromaticContact CZ3-ND1 3.93Å; H865-Y867 PolarHBondContact O-N 3.37Å; H865-E868 PolarHBondContact O-N 2.82Å; H865-H869 AromaticContact CD2-CE1 3.71Å; H865-H869 AromaticContact CD2-ND1 3.63Å; H865-H869 AromaticContact CG-ND1 3.91Å; H865-H869 AromaticContact NE2-CE1 3.91Å; H865-H869 AromaticContact NE2-ND1 3.78Å; H865-H869 WeakPolarHBondContact O-CB 3.32Å; H865-H869 PolarHBondContact O-N 3.16Å; H865-H869 PolarHBondContact O-ND1 3.22Å
866	A	93.7	Very high	90.7	Very high	0 Å²	0	87.3 Å²	87.3	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-64	-39.5	178.5	0	0	0	0	0	112.3	Y835 W862 E864 N870 L871 Y873	Y835-A866 HydrophobicContact CE2-CB 4Å; Y835-A866 WeakPolarHBondContact OH-CB 3.41Å; W862-A866 WeakPolarHBondContact O-CB 3.37Å; W862-A866 PolarHBondContact O-N 3.33Å; E864-A866 VanDerWaalsContact C-N 3.33Å; E864-A866 PolarHBondContact O-N 2.82Å; A866-N870 PolarHBondContact O-N 3.18Å; A866-L871 HydrophobicContact CB-CB 4.21Å; A866-L871 PolarHBondContact O-N 3.36Å; A866-Y873 HydrophobicContact CB-CD2 4.21Å
867	Y	94.2	Very high	90.7	Very high	196 Å²	196	84 Å²	84	77%	0.769	41%	0.406	S	S	*	.	H	α-helix	trans	-64.2	-48.2	174.7	178.2	-102.4	0	0	0	111.9	K863 E864 H865 H869 N870	K863-Y867 PolarHBondContact O-N 2.79Å; K863-Y867 VanDerWaalsContact O-N 3.11Å; E864-Y867 WeakPolarHBondContact O-CB 3.38Å; E864-Y867 PolarHBondContact O-N 3.29Å; E864-Y867 VanDerWaalsContact O-N 3.09Å; H865-Y867 PolarHBondContact O-N 3.37Å; Y867-H869 VanDerWaalsContact C-N 3.31Å; Y867-H869 PolarHBondContact O-N 2.91Å; Y867-N870 PolarHBondContact O-N 3.18Å
868	E	95.9	Very high	90.5	Very high	126 Å²	126	83.1 Å²	83.1	59%	0.589	40%	0.395	S	S	*	.	H	α-helix	trans	-58.9	-40.5	177.7	-69.3	-176.9	140.3	0	0	112.7	E864 H865	E864-E868 WeakPolarHBondContact O-CG 3.4Å; E864-E868 PolarHBondContact O-N 3.23Å; H865-E868 PolarHBondContact O-N 2.82Å
869	H	93.7	Very high	89.9	Confident	108 Å²	108	87.6 Å²	87.6	50%	0.5	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	5.2	-174.5	-63.6	79.6	0	0	0	113.8	H865 Y867 L871	H865-H869 AromaticContact CD2-CE1 3.71Å; H865-H869 AromaticContact CD2-ND1 3.63Å; H865-H869 AromaticContact CG-ND1 3.91Å; H865-H869 AromaticContact NE2-CE1 3.91Å; H865-H869 AromaticContact NE2-ND1 3.78Å; H865-H869 WeakPolarHBondContact O-CB 3.32Å; H865-H869 PolarHBondContact O-N 3.16Å; H865-H869 PolarHBondContact O-ND1 3.22Å; Y867-H869 VanDerWaalsContact C-N 3.31Å; Y867-H869 PolarHBondContact O-N 2.91Å; H869-L871 VanDerWaalsContact C-N 3.28Å; H869-L871 HydrophobicContact CB-CD1 3.99Å; H869-L871 HydrophobicContact CB-CG 3.89Å; H869-L871 PolarHBondContact O-N 3.5Å
870	N	93.6	Very high	88.6	Confident	153 Å²	153	88.8 Å²	88.8	82%	0.818	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	40.6	-176.5	-62.3	-96.2	0	0	0	113.4	A866 Y867	A866-N870 PolarHBondContact O-N 3.18Å; Y867-N870 PolarHBondContact O-N 3.18Å
871	L	93.4	Very high	87.1	Confident	81 Å²	81	90.7 Å²	90.7	42%	0.424	44%	0.436	S	S	.	.			trans	-95.3	152.2	176.7	-55.8	175.9	0	0	0	110.9	Y835 A866 H869 Y873	Y835-L871 HydrophobicContact CD1-CD1 3.66Å; Y835-L871 HydrophobicContact CE1-CB 3.98Å; Y835-L871 HydrophobicContact CE1-CD1 3.85Å; Y835-L871 HydrophobicContact CG-CD1 4.39Å; A866-L871 HydrophobicContact CB-CB 4.21Å; A866-L871 PolarHBondContact O-N 3.36Å; H869-L871 VanDerWaalsContact C-N 3.28Å; H869-L871 HydrophobicContact CB-CD1 3.99Å; H869-L871 HydrophobicContact CB-CG 3.89Å; H869-L871 PolarHBondContact O-N 3.5Å; L871-Y873 PolarHBondContact O-N 3.46Å
872	E	89.9	Confident	85.1	Confident	172 Å²	172	89.7 Å²	89.7	80%	0.804	44%	0.438	S	S	*	.			trans	-70.2	127.4	173.4	-174.7	171.1	-168.4	0	0	110.6	Y835	Y835-E872 PolarHBondContact OH-O 2.87Å
873	Y	89.3	Confident	83.1	Confident	40 Å²	40	93.6 Å²	93.6	16%	0.157	47%	0.465	C	S	.	.			trans	-107.6	111.3	173.4	-174.9	-80	0	0	0	109.7	W838 D859 K863 A866 L871 Q875	W838-Y873 AromaticContact CH2-CD2 3.95Å; W838-Y873 HydrophobicContact CH2-CD2 3.95Å; W838-Y873 AromaticContact CH2-CE2 3.31Å; W838-Y873 HydrophobicContact CH2-CE2 3.31Å; W838-Y873 AromaticContact CH2-CZ 3.77Å; W838-Y873 HydrophobicContact CZ2-CE2 4.04Å; W838-Y873 HydrophobicContact CZ3-CD2 4.32Å; W838-Y873 HydrophobicContact CZ3-CE2 4.07Å; D859-Y873 PolarHBondContact O-OH 2.83Å; K863-Y873 VanDerWaalsContact CA-CD2 3.44Å; K863-Y873 VanDerWaalsContact CA-CE2 3.41Å; K863-Y873 HydrophobicContact CB-CD2 3.84Å; K863-Y873 HydrophobicContact CB-CE2 3.45Å; K863-Y873 VanDerWaalsContact CB-CE2 3.45Å; K863-Y873 HydrophobicContact CD-CE1 4.47Å; K863-Y873 HydrophobicContact CG-CD2 4.14Å; K863-Y873 HydrophobicContact CG-CE1 4.47Å; K863-Y873 HydrophobicContact CG-CE2 4.05Å; K863-Y873 HydrophobicContact CG-CG 4.36Å; A866-Y873 HydrophobicContact CB-CD2 4.21Å; L871-Y873 PolarHBondContact O-N 3.46Å; Y873-Q875 PolarHBondContact O-NE2 3.5Å
874	P	89.4	Confident	81.1	Confident	26 Å²	26	94 Å²	94	17%	0.169	47%	0.473	C	S	.	.			trans	-67.5	144.6	-177.3	-20.1	32.8	0	0	0	113.3	L839 H876 F877	L839-P874 HydrophobicContact CD2-CG 3.81Å; P874-H876 VanDerWaalsContact CB-CE1 3.49Å; P874-H876 WeakPolarHBondContact CB-CE1 3.44Å; P874-H876 WeakPolarHBondContact CB-ND1 3.41Å; P874-F877 HydrophobicContact CB-CD2 4.45Å; P874-F877 HydrophobicContact CB-CE1 4.19Å; P874-F877 HydrophobicContact CB-CE2 3.9Å; P874-F877 HydrophobicContact CB-CZ 3.76Å; P874-F877 HydrophobicContact CG-CE1 4.43Å; P874-F877 HydrophobicContact CG-CE2 3.99Å; P874-F877 HydrophobicContact CG-CZ 3.68Å
875	Q	84.9	Confident	79.1	Confident	152 Å²	152	93.8 Å²	93.8	71%	0.71	48%	0.476	S	S	*	.	S	Bend	trans	-106.5	-2.6	-177.9	-52.8	-62.5	-44	0	0	113.2	Y873	Y873-Q875 PolarHBondContact O-NE2 3.5Å
876	H	86.3	Confident	77.1	Confident	110 Å²	110	98.6 Å²	98.6	51%	0.509	50%	0.501	S	S	.	.			trans	-92.8	-0.1	-173.7	68.2	-78.8	0	0	0	114.3	E843 T846 P874	E843-H876 IonicContact OE2-CD2 3.65Å; E843-H876 IonicContact OE2-CE1 2.79Å; E843-H876 IonicContact OE2-NE2 2.71Å; E843-H876 PolarHBondContact OE2-NE2 3.06Å; T846-H876 WeakPolarHBondContact CG2-O 3.46Å; P874-H876 VanDerWaalsContact CB-CE1 3.49Å; P874-H876 WeakPolarHBondContact CB-CE1 3.44Å; P874-H876 WeakPolarHBondContact CB-ND1 3.41Å
877	F	87.9	Confident	75.2	Confident	12 Å²	12	106.9 Å²	106.9	5%	0.053	54%	0.539	C	S	.	.	S	Bend	trans	-65.4	144.3	-178.6	-62.6	-38.6	0	0	0	112.2	W838 L839 R842 E843 T846 P874 M879	W838-F877 HydrophobicContact CH2-CD2 4.32Å; W838-F877 AromaticContact CH2-CE2 3.69Å; W838-F877 HydrophobicContact CH2-CE2 3.69Å; W838-F877 HydrophobicContact CZ2-CE2 4.2Å; W838-F877 HydrophobicContact CZ3-CE2 4.2Å; L839-F877 HydrophobicContact CD2-CE2 4.21Å; L839-F877 HydrophobicContact CD2-CZ 3.83Å; R842-F877 HydrophobicContact CB-CD1 3.79Å; R842-F877 HydrophobicContact CB-CD2 3.9Å; R842-F877 HydrophobicContact CB-CE1 3.66Å; R842-F877 HydrophobicContact CB-CE2 3.78Å; R842-F877 HydrophobicContact CB-CG 3.91Å; R842-F877 HydrophobicContact CB-CZ 3.64Å; R842-F877 HydrophobicContact CG-CD2 4.34Å; R842-F877 HydrophobicContact CG-CE2 4.24Å; E843-F877 HydrophobicContact CB-CE1 4.36Å; T846-F877 WeakPolarHBondContact OG1-CA 3.22Å; P874-F877 HydrophobicContact CB-CD2 4.45Å; P874-F877 HydrophobicContact CB-CE1 4.19Å; P874-F877 HydrophobicContact CB-CE2 3.9Å; P874-F877 HydrophobicContact CB-CZ 3.76Å; P874-F877 HydrophobicContact CG-CE1 4.43Å; P874-F877 HydrophobicContact CG-CE2 3.99Å; P874-F877 HydrophobicContact CG-CZ 3.68Å; F877-M879 HydrophobicContact CB-CE 4.16Å; F877-M879 VanDerWaalsContact O-CE 3.29Å; F877-M879 WeakPolarHBondContact O-CE 3.03Å; F877-M879 PolarHBondContact O-N 3.35Å
878	I	81.8	Confident	73.1	Confident	48 Å²	48	107 Å²	107	25%	0.246	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-61.4	125.7	169.9	58.8	176.3	0	0	0	109.9	R842 E845 T846	R842-I878 PolarHBondContact NH2-O 2.82Å; E845-I878 HydrophobicContact CB-CD1 4.45Å; E845-I878 VanDerWaalsContact O-CD1 3.26Å; E845-I878 WeakPolarHBondContact O-CD1 3.44Å; T846-I878 HydrophobicContact CG2-CG2 4.26Å; T846-I878 PolarHBondContact OG1-N 2.95Å; T846-I878 VanDerWaalsContact OG1-N 3.16Å
879	M	76	Confident	70.1	Confident	123 Å²	123	108.8 Å²	108.8	61%	0.606	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-77.1	160.6	167.7	-62.9	-62.4	98	0	0	109.3	F877	F877-M879 HydrophobicContact CB-CE 4.16Å; F877-M879 VanDerWaalsContact O-CE 3.29Å; F877-M879 WeakPolarHBondContact O-CE 3.03Å; F877-M879 PolarHBondContact O-N 3.35Å
880	A	61.5	Low	67.8	Low	40 Å²	40	112.8 Å²	112.8	33%	0.331	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-60.1	148.3	166.9	0	0	0	0	0	110.1	E856 N882	E856-A880 HydrophobicContact CG-CB 4.18Å; E856-A880 WeakPolarHBondContact OE1-CB 3.41Å; A880-N882 PolarHBondContact O-N 2.84Å
881	P	56.6	Low	66.5	Low	106 Å²	106	110.8 Å²	110.8	69%	0.688	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-53.4	131	164.3	-21.5	32.8	0	0	0	109.1
882	N	49.2	Very low	65.1	Low	72 Å²	72	112.3 Å²	112.3	39%	0.385	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-66.8	130.5	175.9	-168.3	45.4	0	0	0	107.8	A880 D884 D885	A880-N882 PolarHBondContact O-N 2.84Å; N882-D884 WeakPolarHBondContact ND2-CB 3.09Å; N882-D884 PolarHBondContact ND2-OD2 3.3Å; N882-D884 PolarHBondContact O-N 3.35Å; N882-D884 VanDerWaalsContact O-N 3.13Å; N882-D885 HydrophobicContact CB-CB 4.37Å; N882-D885 WeakPolarHBondContact CB-OD2 3.22Å; N882-D885 WeakPolarHBondContact O-CB 3.13Å; N882-D885 PolarHBondContact O-N 3.12Å
883	P	52.3	Low	63.7	Low	99 Å²	99	109 Å²	109	64%	0.643	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-63	-18.7	179.9	23.9	-34.2	0	0	0	113.3	D885 M886	P883-D885 VanDerWaalsContact C-N 3.32Å; P883-M886 PolarHBondContact O-N 3.08Å
884	D	48.8	Very low	62.2	Low	126 Å²	126	113.1 Å²	113.1	67%	0.674	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-76.8	-17.6	172.2	-38.8	-53.7	0	0	0	112.8	N882 M886	N882-D884 WeakPolarHBondContact ND2-CB 3.09Å; N882-D884 PolarHBondContact ND2-OD2 3.3Å; N882-D884 PolarHBondContact O-N 3.35Å; N882-D884 VanDerWaalsContact O-N 3.13Å; D884-M886 PolarHBondContact O-N 3.47Å
885	D	50.3	Low	60.5	Low	128 Å²	128	118.5 Å²	118.5	68%	0.684	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-87.1	10.4	174.3	-58.6	-23.7	0	0	0	112	N882 P883	N882-D885 HydrophobicContact CB-CB 4.37Å; N882-D885 WeakPolarHBondContact CB-OD2 3.22Å; N882-D885 WeakPolarHBondContact O-CB 3.13Å; N882-D885 PolarHBondContact O-N 3.12Å; P883-D885 VanDerWaalsContact C-N 3.32Å
886	M	50.1	Low	58.9	Low	153 Å²	153	116.3 Å²	116.3	75%	0.754	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-111	8.8	-178.1	-74.4	-90.9	-67.3	0	0	113.5	P883 D884	P883-M886 PolarHBondContact O-N 3.08Å; D884-M886 PolarHBondContact O-N 3.47Å
887	E	53.7	Low	57	Low	174 Å²	174	116.7 Å²	116.7	81%	0.813	64%	0.637	S	S	*	*	S	Bend	trans	-97.3	149.5	164.3	-67.1	-160.8	144.8	0	0	111
888	E	50.4	Low	54.6	Low	197 Å²	197	124.8 Å²	124.8	92%	0.921	68%	0.682	S	S	*	*			trans	68	82.4	-177.5	-56.2	-162.3	162.1	0	0	117.7
889	D	33.3	Very low	52.3	Low	165 Å²	165	131.2 Å²	131.2	88%	0.882	72%	0.718	S	S	*	*			trans	-130.4	142.9	130.7	-141.8	11.5	0	0	0	107.3
890	P	45.7	Very low	50.2	Low	191 Å²	191	131.9 Å²	131.9	100%	1.24	73%	0.729	S	S	*	*			trans	-99	0	-152.5	38.4	-38.3	0	0	0	118

Retrieved 890 of 890 residues in 1403.1 ms (Link to these results)

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