A0A096NRZ7_PAPAN Loading...

Serine/threonine-protein kinase

AlphaFold DB , UniProt , Accession A0A096NRZ7, Species PAPAN (Papio anubis, Olive baboon), Gene PRKD3, Length 890 aa.

						>A0A096NRZ7_PAPAN|A0A096NRZ7|PRKD3
MSANNSPPSAQKSVLPAAIPAVLPTASPCSSPKTGLSARLSNGSFSAPSLTNSRGSVHTVSFLLQIGLTRESVTIEAQELSLSAVKDLVCSIVYQKFPECGFFGMYDKILLFRHDMNSENILQLITSADEIREGDLVEVVLSALATVEDFQIRPHTLYVHSYKAPTFCDYCGEMLWGLVRQGLKCEGCGLNYHKRCAFKIPNNCSGVRKRRLSNVSLPGPGLSVPRPLQPEYVALPSEESHVHQEPSKRIPSWSGRPIWMEKMVMCRVKVPHTFAVHSYTRPTICQYCKRLLKGLFRQGMQCKDCKFNCHKRCASKVPRDCLGEVTFNGEPSSLGTDTDIPMDIDNNDINSDSSRGLDDTEESSPPEDKMFFLDPSDLDVERDEEAIKTISPSTSNNIPLMRVVQSIKHTKRKSSTMVKEGWMVHYTSRDNLRKRHYWRLDSKCLTLFQNESGSKYYKEIPLSEILRISSPRDFTNISQGSNPHCFEIITDTMVYFVGENNGDSSHNPVLAATGVGLDVAQSWEKAIRQALMPVTPQASVCTSPGQGKDHKDLSTSISVSNCQIQENVDISTVYQIFADEVLGSGQFGIVYGGKHRKTGRDVAIKVIDKMRFPTKQESQLRNEVAILQNLHHPGIVNLECMFETPERVFVVMEKLHGDMLEMILSSEKSRLPERITKFMVTQILVALRNLHFKNIVHCDLKPENVLLASAEPFPQVKLCDFGFARIIGEKSFRRSVVGTPAYLAPEVLRSKGYNRSLDMWSVGVIIYVSLSGTFPFNEDEDINDQIQNAAFMYPPNPWREISGEAIDLINNLLQVKMRKRYSVDKSLSHPWLQDYQTWLDLREFETRIGERYITHESDDARWEIHAYTHNLVYPKHFIMAPNPDDMEEDP
					

Structure Viewer

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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	29.8	Very low	35.7	Very low	250 Å²	250	133.5 Å²	133.5	100%	1.232	82%	0.82	S	S	*	*				0	156.2	0	-74.2	173.5	166.2	0	0	108.4
2	S	34.6	Very low	35.2	Very low	129 Å²	129	136.3 Å²	136.3	90%	0.902	81%	0.813	S	S	*	*			trans	-90.4	139.1	-159.2	-46.6	0	0	0	0	115.1
3	A	32.8	Very low	34.6	Very low	88 Å²	88	134.4 Å²	134.4	73%	0.727	81%	0.81	S	S	*	*			trans	-175.6	153.5	165.7	0	0	0	0	0	108
4	N	35.9	Very low	34.1	Very low	139 Å²	139	134.1 Å²	134.1	74%	0.743	81%	0.809	S	S	*	*			cis	-163.7	162.9	-17.7	-117.4	-1.8	0	0	0	110.3
5	N	30.9	Very low	33.8	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	81%	0.811	S	S	*	*			trans	68.6	171.2	155.7	-60.8	-6.6	0	0	0	120.9
6	S	29.7	Very low	34.3	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	81%	0.809	S	S	*	*			trans	-140.6	179.9	-159.6	-43.1	0	0	0	0	113.4
7	P	56.7	Low	33.9	Very low	120 Å²	120	132.6 Å²	132.6	78%	0.779	81%	0.809	S	S	*	*			trans	-95.2	-165.5	-163.3	45.5	-44.2	0	0	0	114.1
8	P	56.3	Low	33.4	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	81%	0.807	S	S	*	*			cis	-153.1	-150.6	26.3	47.4	-23.1	0	0	0	118.5
9	S	29.4	Very low	33.2	Very low	121 Å²	121	132.3 Å²	132.3	85%	0.846	81%	0.809	S	S	*	*			trans	94.6	149.9	166	80.8	0	0	0	0	117.8
10	A	28.2	Very low	33.2	Very low	87 Å²	87	132 Å²	132	72%	0.719	81%	0.809	S	S	*	*			cis	-144.8	159.2	-1	0	0	0	0	0	108.9
11	Q	28.2	Very low	32.9	Very low	155 Å²	155	130.1 Å²	130.1	72%	0.724	81%	0.807	S	S	*	*				56.4	137.9	59.8	-66.2	-163.5	25.5	0	0	114.9
12	K	29.8	Very low	32.7	Very low	168 Å²	168	125.1 Å²	125.1	73%	0.73	79%	0.79	S	S	*	*			cis	-170.2	163.3	8.5	-129.7	173.4	-173.5	150.5	0	114.2
13	S	27.2	Very low	32.4	Very low	111 Å²	111	126.1 Å²	126.1	78%	0.776	79%	0.785	S	S	*	*			trans	64.9	162.1	154.8	53.7	0	0	0	0	119.1
14	V	27.9	Very low	32.2	Very low	131 Å²	131	127.7 Å²	127.7	79%	0.794	79%	0.788	S	S	*	*			cis	-147.6	173.9	37.4	170.3	0	0	0	0	112.7
15	L	29.4	Very low	31.7	Very low	159 Å²	159	127 Å²	127	83%	0.832	79%	0.788	S	S	*	*			trans	-133.8	179.7	-175.9	-72.4	170.9	0	0	0	110.3
16	P	42.2	Very low	31.6	Very low	121 Å²	121	124.9 Å²	124.9	79%	0.786	79%	0.792	S	S	*	*			cis	-151.6	-164.4	21.4	44.3	-21	0	0	0	118.8
17	A	26.8	Very low	31.4	Very low	97 Å²	97	124.6 Å²	124.6	80%	0.802	79%	0.789	S	S	*	*			trans	95.5	144.2	142.3	0	0	0	0	0	124.6
18	A	25.6	Very low	30	Very low	94 Å²	94	124.6 Å²	124.6	78%	0.777	79%	0.79	S	S	*	*			trans	85.9	82.8	157	0	0	0	0	0	123
19	I	30.3	Very low	28.4	Very low	165 Å²	165	125.5 Å²	125.5	85%	0.846	80%	0.797	S	S	*	*				33.2	136.6	112	-71.9	172.6	0	0	0	118.5
20	P	33	Very low	28.3	Very low	125 Å²	125	124.7 Å²	124.7	81%	0.812	79%	0.791	S	S	*	*			cis	-132.3	179.5	38.4	31.6	-10.3	0	0	0	117.4
21	A	26.7	Very low	28.3	Very low	93 Å²	93	125.5 Å²	125.5	77%	0.769	79%	0.792	S	S	*	*			trans	-122.7	147.9	-176.6	0	0	0	0	0	113.1
22	V	26.1	Very low	28.3	Very low	145 Å²	145	124.4 Å²	124.4	88%	0.879	80%	0.798	S	S	*	*			trans	-138	134.9	159.1	179.3	0	0	0	0	107.6
23	L	27.6	Very low	28.2	Very low	150 Å²	150	125.9 Å²	125.9	79%	0.785	80%	0.804	S	S	*	*			trans	-135.9	117.5	-176.7	-115	167.8	0	0	0	109.5	T25	L23-T25 PolarHBondContact O-N 3.16Å
24	P	28.6	Very low	28.2	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	81%	0.81	S	S	*	*			trans	-77.5	111.3	168.3	-9.5	26.5	0	0	0	109.4
25	T	26.4	Very low	28.3	Very low	123 Å²	123	125 Å²	125	76%	0.755	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.2	130.3	173.5	47.9	0	0	0	0	111	L23 S27	L23-T25 PolarHBondContact O-N 3.16Å; T25-S27 PolarHBondContact O-N 3.2Å
26	A	27	Very low	28.2	Very low	103 Å²	103	124 Å²	124	85%	0.851	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69	120.2	171.8	0	0	0	0	0	110.8
27	S	25.9	Very low	27.5	Very low	110 Å²	110	123.9 Å²	123.9	77%	0.769	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-74.8	136.9	-179.8	-61.4	0	0	0	0	112	T25	T25-S27 PolarHBondContact O-N 3.2Å
28	P	27.6	Very low	27.8	Very low	121 Å²	121	123.4 Å²	123.4	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70.9	132.3	173.7	29.4	-33.6	0	0	0	110.8	S30	P28-S30 PolarHBondContact O-N 3.24Å
29	C	23.6	Very low	28	Very low	135 Å²	135	130.4 Å²	130.4	91%	0.912	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63	120.9	178.9	-172.7	0	0	0	0	111
30	S	26.1	Very low	28.1	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-81.6	144	179.4	43.4	0	0	0	0	111.7	P28	P28-S30 PolarHBondContact O-N 3.24Å
31	S	27.6	Very low	27.9	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.8	134.2	172.8	44.4	0	0	0	0	110.9	K33	S31-K33 PolarHBondContact O-N 3.28Å
32	P	29.2	Very low	28	Very low	132 Å²	132	131.8 Å²	131.8	86%	0.857	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-60.6	127.3	170.6	-23.2	33.9	0	0	0	110.9
33	K	26.8	Very low	28.1	Very low	199 Å²	199	128.7 Å²	128.7	87%	0.865	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-87.9	148.5	163.6	-75.8	-179.6	178.2	178.4	0	109.1	S31	S31-K33 PolarHBondContact O-N 3.28Å
34	T	28.8	Very low	28	Very low	147 Å²	147	126.7 Å²	126.7	90%	0.902	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-56.5	138.4	179.8	48.4	0	0	0	0	112.8
35	G	29.1	Very low	28.1	Very low	76 Å²	76	131.5 Å²	131.5	78%	0.784	81%	0.811	S	S	*	*			trans	-155.5	-29.7	-179.9	0	0	0	0	0	118
36	L	27.4	Very low	28.3	Very low	138 Å²	138	130.9 Å²	130.9	72%	0.723	81%	0.812	S	S	*	*			trans	-112.9	133.7	-174.2	-73.8	169.4	0	0	0	113.2	E79	L36-E79 WeakPolarHBondContact CD2-OE2 3.45Å
37	S	28.3	Very low	28.8	Very low	120 Å²	120	131 Å²	131	84%	0.839	81%	0.814	S	S	*	*			trans	-119.8	73.2	-175.1	-167.7	0	0	0	0	111	R39	S37-R39 PolarHBondContact O-N 3.01Å
38	A	31.5	Very low	29.2	Very low	86 Å²	86	131.8 Å²	131.8	71%	0.711	82%	0.816	S	S	*	*			trans	-68.8	121.3	177.6	0	0	0	0	0	111.1	L40	A38-L40 PolarHBondContact O-N 2.6Å; A38-L40 VanDerWaalsContact O-N 3.16Å
39	R	29.8	Very low	29.2	Very low	241 Å²	241	131.8 Å²	131.8	91%	0.909	82%	0.818	S	S	*	*			trans	-77.1	97.2	175.9	-77.1	-175.9	170.6	-169.9	-0.9	110.9	S37 S41	S37-R39 PolarHBondContact O-N 3.01Å; R39-S41 PolarHBondContact O-N 3.08Å
40	L	32.7	Very low	29.9	Very low	138 Å²	138	133.2 Å²	133.2	72%	0.723	82%	0.816	S	S	*	*			trans	-66	116	166.8	-66.6	172.2	0	0	0	110.4	A38	A38-L40 PolarHBondContact O-N 2.6Å; A38-L40 VanDerWaalsContact O-N 3.16Å
41	S	29.6	Very low	30.3	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	83%	0.826	S	S	*	*			trans	-97.5	114.8	176.3	46.4	0	0	0	0	111.2	R39 G43	R39-S41 PolarHBondContact O-N 3.08Å; S41-G43 PolarHBondContact O-N 3.13Å
42	N	28.6	Very low	30.6	Very low	163 Å²	163	137.7 Å²	137.7	87%	0.872	83%	0.829	S	S	*	*			trans	-70.9	118.1	168.7	-82.9	-11.6	0	0	0	109.6	S44	N42-S44 PolarHBondContact O-N 3.23Å; N42-S44 VanDerWaalsContact O-N 3.16Å
43	G	27.4	Very low	30.8	Very low	80 Å²	80	136.8 Å²	136.8	83%	0.825	83%	0.827	S	S	*	*			trans	-68.2	107.8	-178.5	0	0	0	0	0	113.3	S41	S41-G43 PolarHBondContact O-N 3.13Å
44	S	26.4	Very low	31.4	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	83%	0.831	S	S	*	*			trans	-114.2	126	157	-66.4	0	0	0	0	108.1	N42 S46	N42-S44 PolarHBondContact O-N 3.23Å; N42-S44 VanDerWaalsContact O-N 3.16Å; S44-S46 PolarHBondContact O-N 3.22Å; S44-S46 VanDerWaalsContact O-N 3.1Å
45	F	31.3	Very low	31.7	Very low	223 Å²	223	135.7 Å²	135.7	98%	0.978	82%	0.821	S	S	*	*			trans	-70.7	104.6	-174.4	-83.6	-88.1	0	0	0	112.3
46	S	29.6	Very low	32.5	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	82%	0.815	S	S	*	*			trans	-143.1	122.4	165.7	-71.9	0	0	0	0	109.2	S44	S44-S46 PolarHBondContact O-N 3.22Å; S44-S46 VanDerWaalsContact O-N 3.1Å
47	A	38.1	Very low	33.6	Very low	106 Å²	106	133.9 Å²	133.9	88%	0.876	81%	0.805	S	S	*	*			trans	-82.8	135.9	-179.6	0	0	0	0	0	112.1
48	P	33	Very low	35.4	Very low	126 Å²	126	134.6 Å²	134.6	82%	0.818	80%	0.795	S	S	*	*			trans	-104.6	145	172.4	36.6	-30.1	0	0	0	113.2
49	S	28.6	Very low	37.5	Very low	120 Å²	120	133.2 Å²	133.2	84%	0.839	78%	0.778	S	S	*	*			trans	-85.3	159.9	171.8	-60.3	0	0	0	0	112.5
50	L	38	Very low	40	Very low	166 Å²	166	122.9 Å²	122.9	87%	0.869	74%	0.741	S	S	*	*			trans	-67.8	135.1	-179.7	-65.1	80.5	0	0	0	113.3
51	T	34.4	Very low	42.6	Very low	149 Å²	149	117.8 Å²	117.8	91%	0.914	72%	0.717	S	S	*	*			trans	-139.1	156.7	133.8	52.9	0	0	0	0	109.1
52	N	34	Very low	45.5	Very low	151 Å²	151	112.6 Å²	112.6	81%	0.807	68%	0.68	S	S	*	*			trans	-131.3	133.1	-163.5	-154.2	-10.9	0	0	0	110.8
53	S	33.8	Very low	48.4	Very low	114 Å²	114	108.2 Å²	108.2	80%	0.797	66%	0.656	S	S	*	*			trans	-174.7	115.4	147.9	27.2	0	0	0	0	115.5
54	R	38	Very low	51.4	Low	254 Å²	254	104.4 Å²	104.4	96%	0.958	62%	0.617	S	S	*	*	S	Bend	trans	52.5	87.1	143.9	-69.9	-175.9	167.5	167.9	-3.3	119.1
55	G	36.1	Very low	54.3	Low	68 Å²	68	100.3 Å²	100.3	70%	0.701	59%	0.586	S	S	*	*			trans	-175.9	64.7	158.3	0	0	0	0	0	110.3	V57	G55-V57 VanDerWaalsContact C-N 3.26Å; G55-V57 PolarHBondContact O-N 3.34Å
56	S	46	Very low	56.9	Low	94 Å²	94	90.8 Å²	90.8	66%	0.657	55%	0.545	S	S	*	.			trans	-75.8	70.9	-167.5	-164.4	0	0	0	0	113	H58	S56-H58 PolarHBondContact O-N 2.99Å; S56-H58 VanDerWaalsContact O-N 3.16Å; S56-H58 PolarHBondContact OG-CE1 3.11Å; S56-H58 PolarHBondContact OG-NE2 2.81Å
57	V	50.3	Low	59.3	Low	82 Å²	82	87.8 Å²	87.8	50%	0.497	53%	0.532	S	S	.	.			trans	-66.9	105.5	157.7	-175.1	0	0	0	0	106.2	G55 T59 E76	G55-V57 VanDerWaalsContact C-N 3.26Å; G55-V57 PolarHBondContact O-N 3.34Å; V57-T59 HydrophobicContact CG1-CG2 3.93Å; V57-T59 PolarHBondContact O-N 2.76Å; V57-T59 VanDerWaalsContact O-N 3.11Å; V57-E76 HydrophobicContact CG1-CG 4.07Å
58	H	66.9	Low	61	Low	136 Å²	136	91.5 Å²	91.5	63%	0.63	54%	0.536	S	S	*	.			trans	-69	108.1	172.3	-71.2	-79	0	0	0	108	S56 A77	S56-H58 PolarHBondContact O-N 2.99Å; S56-H58 VanDerWaalsContact O-N 3.16Å; S56-H58 PolarHBondContact OG-CE1 3.11Å; S56-H58 PolarHBondContact OG-NE2 2.81Å; H58-A77 HydrophobicContact CB-CB 4.08Å; H58-A77 WeakPolarHBondContact O-CB 3.49Å; H58-A77 PolarHBondContact O-N 3.03Å
59	T	74.9	Confident	62.9	Low	57 Å²	57	87.3 Å²	87.3	35%	0.35	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.9	171.8	55.7	0	0	0	0	109.4	V57 T74 I75 E76	V57-T59 HydrophobicContact CG1-CG2 3.93Å; V57-T59 PolarHBondContact O-N 2.76Å; V57-T59 VanDerWaalsContact O-N 3.11Å; T59-T74 HydrophobicContact CG2-CG2 4.19Å; T59-I75 CarbonylContact C-O 3.53Å; T59-I75 WeakPolarHBondContact CA-O 3.27Å; T59-E76 HydrophobicContact CG2-CG 4.23Å
60	V	83	Confident	65.8	Low	23 Å²	23	88.8 Å²	88.8	14%	0.139	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.3	172.9	-175.4	0	0	0	0	107.4	F62 T74 I75 A77 L80 I131	V60-F62 HydrophobicContact CG1-CD1 4.29Å; V60-T74 WeakPolarHBondContact O-CA 3.28Å; V60-I75 PolarHBondContact N-O 3.05Å; V60-I75 PolarHBondContact O-N 2.84Å; V60-A77 HydrophobicContact CG2-CB 4.21Å; V60-L80 HydrophobicContact CB-CD2 4.25Å; V60-L80 HydrophobicContact CG1-CD2 4.48Å; V60-L80 HydrophobicContact CG2-CD2 3.99Å; V60-I131 HydrophobicContact CG1-CG2 4.42Å
61	S	86.1	Confident	68	Low	31 Å²	31	82.9 Å²	82.9	22%	0.217	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.1	178.4	-59.4	0	0	0	0	110.8	V73 T74 E133 G134	S61-V73 CarbonylContact C-O 3.59Å; S61-V73 WeakPolarHBondContact CA-O 3.4Å; S61-T74 WeakPolarHBondContact OG-CG2 3.29Å; S61-T74 PolarHBondContact OG-OG1 3.22Å; S61-E133 CarbonylContact O-C 3.5Å; S61-E133 WeakPolarHBondContact O-CA 3.32Å; S61-G134 PolarHBondContact O-N 2.84Å
62	F	91.5	Very high	70.6	Confident	3 Å²	3	80 Å²	80	1%	0.013	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	165.1	-175.8	63.6	-84.7	0	0	0	111.2	V60 L64 V73 I75 L80 V85 I131 D135 V137	V60-F62 HydrophobicContact CG1-CD1 4.29Å; F62-L64 HydrophobicContact CE2-CD2 3.88Å; F62-L64 HydrophobicContact CE2-CG 3.98Å; F62-V73 HydrophobicContact CD1-CG1 4.29Å; F62-V73 HydrophobicContact CE1-CB 4.31Å; F62-V73 HydrophobicContact CE1-CG1 3.63Å; F62-V73 HydrophobicContact CE2-CB 4.29Å; F62-V73 HydrophobicContact CE2-CG1 4.18Å; F62-V73 HydrophobicContact CZ-CB 4.16Å; F62-V73 HydrophobicContact CZ-CG1 3.57Å; F62-V73 PolarHBondContact N-O 3.11Å; F62-V73 PolarHBondContact O-N 3.05Å; F62-I75 HydrophobicContact CE1-CD1 4.07Å; F62-I75 HydrophobicContact CZ-CD1 4.1Å; F62-L80 HydrophobicContact CE1-CD1 4.21Å; F62-V85 HydrophobicContact CE2-CG1 4.31Å; F62-V85 HydrophobicContact CZ-CG1 4.15Å; F62-V85 HydrophobicContact CZ-CG2 4.08Å; F62-I131 HydrophobicContact CB-CG2 4.2Å; F62-I131 HydrophobicContact CD1-CG2 3.74Å; F62-I131 HydrophobicContact CD2-CG2 4.15Å; F62-I131 HydrophobicContact CE1-CG2 4.07Å; F62-I131 HydrophobicContact CE2-CG2 4.44Å; F62-I131 HydrophobicContact CG-CG2 3.78Å; F62-I131 HydrophobicContact CZ-CG2 4.41Å; F62-D135 HydrophobicContact CB-CB 4.36Å; F62-D135 WeakPolarHBondContact CB-O 3.35Å; F62-V137 HydrophobicContact CD2-CB 4.19Å; F62-V137 HydrophobicContact CD2-CG2 3.84Å; F62-V137 HydrophobicContact CE2-CB 4.46Å; F62-V137 HydrophobicContact CE2-CG2 4.31Å
63	L	89.6	Confident	73	Confident	70 Å²	70	73.2 Å²	73.2	37%	0.366	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.8	-179.8	-72	166.2	0	0	0	110.4	D135 L136 V137	L63-D135 PolarHBondContact N-O 2.85Å; L63-L136 HydrophobicContact CB-CD1 3.71Å; L63-V137 PolarHBondContact O-N 2.74Å
64	L	90.6	Very high	75.5	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.2	166	-76.7	177.2	0	0	0	110.1	F62 R70 E71 V73 V85 V89 I92 V137 V139	F62-L64 HydrophobicContact CE2-CD2 3.88Å; F62-L64 HydrophobicContact CE2-CG 3.98Å; L64-R70 CarbonylContact O-C 3.58Å; L64-R70 VanDerWaalsContact O-CA 3.28Å; L64-R70 WeakPolarHBondContact O-CA 3.44Å; L64-E71 PolarHBondContact N-O 3.32Å; L64-E71 PolarHBondContact O-N 3.05Å; L64-V73 HydrophobicContact CD1-CG2 3.63Å; L64-V73 HydrophobicContact CG-CG2 3.94Å; L64-V85 HydrophobicContact CD2-CG1 4.39Å; L64-V89 HydrophobicContact CD1-CG2 3.74Å; L64-V89 HydrophobicContact CD2-CG2 4.03Å; L64-I92 HydrophobicContact CD1-CD1 3.79Å; L64-V137 CarbonylContact C-O 3.56Å; L64-V137 WeakPolarHBondContact CA-O 3.31Å; L64-V137 HydrophobicContact CD2-CB 4.14Å; L64-V137 HydrophobicContact CD2-CG1 3.96Å; L64-V139 HydrophobicContact CD2-CG2 4.01Å
65	Q	87.3	Confident	77.7	Confident	22 Å²	22	60.4 Å²	60.4	10%	0.103	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.3	168.2	178.6	165.4	-65.5	0	0	110.3	G67 T69 R70 L136 V137 E138 V139	Q65-G67 VanDerWaalsContact CG-O 3.32Å; Q65-G67 WeakPolarHBondContact CG-O 3.31Å; Q65-T69 WeakPolarHBondContact CA-O 3.34Å; Q65-R70 HydrophobicContact CB-CG 4.27Å; Q65-R70 HydrophobicContact CG-CG 4.34Å; Q65-L136 HydrophobicContact CB-CD1 4.03Å; Q65-V137 PolarHBondContact N-O 2.78Å; Q65-E138 HydrophobicContact CB-CB 4.43Å; Q65-E138 HydrophobicContact CG-CG 4.47Å; Q65-E138 VanDerWaalsContact NE2-CD 3.27Å; Q65-E138 PolarHBondContact NE2-OE1 2.83Å; Q65-V139 WeakPolarHBondContact O-CB 3.4Å; Q65-V139 PolarHBondContact O-N 2.76Å
66	I	85.1	Confident	79.9	Confident	23 Å²	23	61.7 Å²	61.7	12%	0.118	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	94	177	-62.4	156.2	0	0	0	106.8	L68 T69 I92 V93 F97 V139	I66-L68 PolarHBondContact O-N 3.35Å; I66-T69 PolarHBondContact N-O 2.82Å; I66-T69 PolarHBondContact O-N 2.9Å; I66-I92 HydrophobicContact CD1-CB 4.46Å; I66-I92 HydrophobicContact CD1-CG2 3.69Å; I66-V93 HydrophobicContact CD1-CG2 3.8Å; I66-V93 HydrophobicContact CG1-CG2 4.43Å; I66-V93 HydrophobicContact CG2-CG2 4.09Å; I66-F97 HydrophobicContact CG2-CE2 3.95Å; I66-V139 HydrophobicContact CG1-CB 3.89Å; I66-V139 HydrophobicContact CG1-CG1 4.43Å; I66-V139 HydrophobicContact CG1-CG2 3.69Å
67	G	79	Confident	81.2	Confident	49 Å²	49	59.5 Å²	59.5	51%	0.505	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-118.9	-169.5	0	0	0	0	0	111.1	Q65	Q65-G67 VanDerWaalsContact CG-O 3.32Å; Q65-G67 WeakPolarHBondContact CG-O 3.31Å
68	L	74.1	Confident	82.3	Confident	183 Å²	183	64.4 Å²	64.4	96%	0.958	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.3	178.4	-58.8	-179.9	0	0	0	114.1	I66	I66-L68 PolarHBondContact O-N 3.35Å
69	T	74.5	Confident	82.5	Confident	39 Å²	39	62.1 Å²	62.1	24%	0.239	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.3	-179.6	-58.9	0	0	0	0	110.6	Q65 I66 E71	Q65-T69 WeakPolarHBondContact CA-O 3.34Å; I66-T69 PolarHBondContact N-O 2.82Å; I66-T69 PolarHBondContact O-N 2.9Å; T69-E71 HydrophobicContact CG2-CG 4.39Å; T69-E71 WeakPolarHBondContact CG2-OE1 3.46Å
70	R	87.8	Confident	82.8	Confident	151 Å²	151	60.8 Å²	60.8	57%	0.57	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.4	174.9	-70.3	-179.6	176.5	173.2	-2.7	110.4	L64 Q65	L64-R70 CarbonylContact O-C 3.58Å; L64-R70 VanDerWaalsContact O-CA 3.28Å; L64-R70 WeakPolarHBondContact O-CA 3.44Å; Q65-R70 HydrophobicContact CB-CG 4.27Å; Q65-R70 HydrophobicContact CG-CG 4.34Å
71	E	85.1	Confident	82.9	Confident	41 Å²	41	61.6 Å²	61.6	19%	0.192	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.7	176.8	-55.3	-61	135.2	0	0	110.3	L64 T69 I92 K96	L64-E71 PolarHBondContact N-O 3.32Å; L64-E71 PolarHBondContact O-N 3.05Å; T69-E71 HydrophobicContact CG2-CG 4.39Å; T69-E71 WeakPolarHBondContact CG2-OE1 3.46Å; E71-I92 HydrophobicContact CB-CD1 4.41Å; E71-I92 HydrophobicContact CG-CG2 3.81Å; E71-K96 VanDerWaalsContact CD-CE 3.47Å; E71-K96 VanDerWaalsContact OE1-CE 3.29Å; E71-K96 WeakPolarHBondContact OE1-CE 3.49Å; E71-K96 IonicContact OE1-NZ 3.67Å; E71-K96 PolarHBondContact OE1-NZ 3.36Å; E71-K96 VanDerWaalsContact OE2-CE 3.29Å; E71-K96 WeakPolarHBondContact OE2-CE 3.4Å; E71-K96 IonicContact OE2-NZ 3.71Å; E71-K96 PolarHBondContact OE2-NZ 3.19Å
72	S	88.1	Confident	82.8	Confident	90 Å²	90	62.3 Å²	62.3	63%	0.629	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.4	171.9	-166.2	0	0	0	0	109.9
73	V	85.6	Confident	82.3	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.042	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.7	-179.2	166.9	0	0	0	0	109.2	S61 F62 L64 I75 L88 I92	S61-V73 CarbonylContact C-O 3.59Å; S61-V73 WeakPolarHBondContact CA-O 3.4Å; F62-V73 HydrophobicContact CD1-CG1 4.29Å; F62-V73 HydrophobicContact CE1-CB 4.31Å; F62-V73 HydrophobicContact CE1-CG1 3.63Å; F62-V73 HydrophobicContact CE2-CB 4.29Å; F62-V73 HydrophobicContact CE2-CG1 4.18Å; F62-V73 HydrophobicContact CZ-CB 4.16Å; F62-V73 HydrophobicContact CZ-CG1 3.57Å; F62-V73 PolarHBondContact N-O 3.11Å; F62-V73 PolarHBondContact O-N 3.05Å; L64-V73 HydrophobicContact CD1-CG2 3.63Å; L64-V73 HydrophobicContact CG-CG2 3.94Å; V73-I75 HydrophobicContact CG1-CD1 3.76Å; V73-I75 HydrophobicContact CG1-CG1 3.68Å; V73-L88 HydrophobicContact CB-CD2 4.24Å; V73-L88 HydrophobicContact CG1-CD2 3.43Å; V73-L88 VanDerWaalsContact CG1-CD2 3.43Å; V73-L88 HydrophobicContact CG2-CD2 3.74Å; V73-I92 HydrophobicContact CG2-CD1 4.11Å
74	T	86.6	Confident	82	Confident	81 Å²	81	63 Å²	63	50%	0.497	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.9	169.5	-59.3	0	0	0	0	108	T59 V60 S61	T59-T74 HydrophobicContact CG2-CG2 4.19Å; V60-T74 WeakPolarHBondContact O-CA 3.28Å; S61-T74 WeakPolarHBondContact OG-CG2 3.29Å; S61-T74 PolarHBondContact OG-OG1 3.22Å
75	I	83.4	Confident	81.7	Confident	19 Å²	19	63 Å²	63	10%	0.097	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.4	178.7	-61.8	172.6	0	0	0	108.3	T59 V60 F62 V73 E79 L80 V85 L88	T59-I75 CarbonylContact C-O 3.53Å; T59-I75 WeakPolarHBondContact CA-O 3.27Å; V60-I75 PolarHBondContact N-O 3.05Å; V60-I75 PolarHBondContact O-N 2.84Å; F62-I75 HydrophobicContact CE1-CD1 4.07Å; F62-I75 HydrophobicContact CZ-CD1 4.1Å; V73-I75 HydrophobicContact CG1-CD1 3.76Å; V73-I75 HydrophobicContact CG1-CG1 3.68Å; I75-E79 HydrophobicContact CG2-CB 4.26Å; I75-L80 HydrophobicContact CB-CD1 4.14Å; I75-L80 HydrophobicContact CD1-CD1 4.11Å; I75-L80 HydrophobicContact CG2-CB 4.29Å; I75-L80 HydrophobicContact CG2-CD1 4.12Å; I75-V85 HydrophobicContact CD1-CG2 3.99Å; I75-L88 HydrophobicContact CD1-CD2 4.02Å; I75-L88 HydrophobicContact CG1-CD2 4.39Å
76	E	82.4	Confident	81.6	Confident	94 Å²	94	63.9 Å²	63.9	44%	0.439	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.7	172.7	-56.5	-160.2	-178.4	0	0	110.1	V57 T59 Q78 E79 L80	V57-E76 HydrophobicContact CG1-CG 4.07Å; T59-E76 HydrophobicContact CG2-CG 4.23Å; E76-Q78 PolarHBondContact O-N 3.22Å; E76-E79 PolarHBondContact O-N 2.81Å; E76-L80 PolarHBondContact O-N 2.89Å; E76-L80 VanDerWaalsContact O-N 3.17Å
77	A	72.9	Confident	81.5	Confident	48 Å²	48	66.9 Å²	66.9	40%	0.397	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.2	-174.1	0	0	0	0	0	114	H58 V60	H58-A77 HydrophobicContact CB-CB 4.08Å; H58-A77 WeakPolarHBondContact O-CB 3.49Å; H58-A77 PolarHBondContact O-N 3.03Å; V60-A77 HydrophobicContact CG2-CB 4.21Å
78	Q	72.9	Confident	81.7	Confident	185 Å²	185	67.1 Å²	67.1	86%	0.864	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-16.9	173.9	-58.8	-179.1	26.5	0	0	113.1	E76	E76-Q78 PolarHBondContact O-N 3.22Å
79	E	72.1	Confident	82.1	Confident	88 Å²	88	58.5 Å²	58.5	41%	0.411	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-10.5	177.5	-57.9	-166.3	139.6	0	0	112.9	L36 I75 E76 S81	L36-E79 WeakPolarHBondContact CD2-OE2 3.45Å; I75-E79 HydrophobicContact CG2-CB 4.26Å; E76-E79 PolarHBondContact O-N 2.81Å; E79-S81 PolarHBondContact O-N 3.31Å; E79-S81 PolarHBondContact O-OG 2.75Å
80	L	80.9	Confident	82.3	Confident	30 Å²	30	58.9 Å²	58.9	16%	0.157	32%	0.32	C	S	.	.			trans	-63.7	100.1	-176	-170.9	72.2	0	0	0	111.2	V60 F62 I75 E76 V85 A128	V60-L80 HydrophobicContact CB-CD2 4.25Å; V60-L80 HydrophobicContact CG1-CD2 4.48Å; V60-L80 HydrophobicContact CG2-CD2 3.99Å; F62-L80 HydrophobicContact CE1-CD1 4.21Å; I75-L80 HydrophobicContact CB-CD1 4.14Å; I75-L80 HydrophobicContact CD1-CD1 4.11Å; I75-L80 HydrophobicContact CG2-CB 4.29Å; I75-L80 HydrophobicContact CG2-CD1 4.12Å; E76-L80 PolarHBondContact O-N 2.89Å; E76-L80 VanDerWaalsContact O-N 3.17Å; L80-V85 HydrophobicContact CD1-CG2 4.17Å; L80-A128 HydrophobicContact CG-CB 4.3Å; L80-A128 WeakPolarHBondContact O-CB 3.29Å
81	S	85.6	Confident	81.8	Confident	40 Å²	40	54.9 Å²	54.9	28%	0.28	32%	0.315	S	S	.	.			trans	-136.4	149.5	178.2	60	0	0	0	0	109.9	E79 S83 A84 V85	E79-S81 PolarHBondContact O-N 3.31Å; E79-S81 PolarHBondContact O-OG 2.75Å; S81-S83 VanDerWaalsContact CB-OG 3.31Å; S81-S83 WeakPolarHBondContact CB-OG 3.32Å; S81-S83 PolarHBondContact O-N 3.24Å; S81-S83 PolarHBondContact OG-OG 3.03Å; S81-A84 PolarHBondContact O-N 3.22Å; S81-A84 VanDerWaalsContact OG-CB 3.28Å; S81-A84 WeakPolarHBondContact OG-CB 3.26Å; S81-A84 PolarHBondContact OG-N 2.79Å; S81-A84 VanDerWaalsContact OG-N 3.15Å; S81-V85 WeakPolarHBondContact O-CG2 3.5Å; S81-V85 PolarHBondContact O-N 2.8Å
82	L	82.9	Confident	81.6	Confident	45 Å²	45	53.8 Å²	53.8	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-57.8	-32.9	176.9	-85.5	174.5	0	0	0	112.1	K86 L111 I125 T126 A128	L82-K86 WeakPolarHBondContact O-CB 3.42Å; L82-K86 VanDerWaalsContact O-CG 3.3Å; L82-K86 WeakPolarHBondContact O-CG 3.39Å; L82-K86 PolarHBondContact O-N 3.29Å; L82-L111 HydrophobicContact CD2-CD1 3.83Å; L82-I125 HydrophobicContact CD2-CG2 3.88Å; L82-T126 WeakPolarHBondContact CD1-O 3.48Å; L82-A128 HydrophobicContact CG-CB 4.5Å
83	S	81.7	Confident	80.9	Confident	56 Å²	56	50.2 Å²	50.2	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-55.7	-58.2	167.7	30.2	0	0	0	0	112.1	S81 V85 K86 D87 Y106	S81-S83 VanDerWaalsContact CB-OG 3.31Å; S81-S83 WeakPolarHBondContact CB-OG 3.32Å; S81-S83 PolarHBondContact O-N 3.24Å; S81-S83 PolarHBondContact OG-OG 3.03Å; S83-V85 VanDerWaalsContact C-N 3.31Å; S83-V85 PolarHBondContact O-N 3.18Å; S83-K86 WeakPolarHBondContact O-CB 3.21Å; S83-K86 PolarHBondContact O-N 3.01Å; S83-K86 VanDerWaalsContact O-N 3.09Å; S83-D87 PolarHBondContact O-N 3.31Å; S83-Y106 WeakPolarHBondContact CA-OH 3.07Å; S83-Y106 WeakPolarHBondContact CB-OH 3.19Å; S83-Y106 PolarHBondContact O-OH 2.91Å
84	A	82.8	Confident	80	Confident	33 Å²	33	58.1 Å²	58.1	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-36.7	-178.4	0	0	0	0	0	112.8	S81 L88	S81-A84 PolarHBondContact O-N 3.22Å; S81-A84 VanDerWaalsContact OG-CB 3.28Å; S81-A84 WeakPolarHBondContact OG-CB 3.26Å; S81-A84 PolarHBondContact OG-N 2.79Å; S81-A84 VanDerWaalsContact OG-N 3.15Å; A84-L88 VanDerWaalsContact O-CB 3.26Å; A84-L88 WeakPolarHBondContact O-CB 3.03Å; A84-L88 PolarHBondContact O-N 3.33Å
85	V	85.2	Confident	79.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-40.7	175	-177.6	0	0	0	0	111.1	F62 L64 I75 L80 S81 S83 L88 V89 L111 I131	F62-V85 HydrophobicContact CE2-CG1 4.31Å; F62-V85 HydrophobicContact CZ-CG1 4.15Å; F62-V85 HydrophobicContact CZ-CG2 4.08Å; L64-V85 HydrophobicContact CD2-CG1 4.39Å; I75-V85 HydrophobicContact CD1-CG2 3.99Å; L80-V85 HydrophobicContact CD1-CG2 4.17Å; S81-V85 WeakPolarHBondContact O-CG2 3.5Å; S81-V85 PolarHBondContact O-N 2.8Å; S83-V85 VanDerWaalsContact C-N 3.31Å; S83-V85 PolarHBondContact O-N 3.18Å; V85-L88 PolarHBondContact O-N 3.38Å; V85-V89 VanDerWaalsContact O-CG2 3.31Å; V85-V89 WeakPolarHBondContact O-CG2 3.3Å; V85-V89 PolarHBondContact O-N 3.04Å; V85-L111 HydrophobicContact CB-CD1 4.18Å; V85-L111 HydrophobicContact CG1-CD1 3.64Å; V85-I131 HydrophobicContact CG2-CD1 4.18Å
86	K	85.6	Confident	78.2	Confident	39 Å²	39	63.7 Å²	63.7	17%	0.17	33%	0.334	C	S	.	.	H	α-helix	trans	-65.7	-42.1	174	-78.5	-179.6	166	-152.4	0	113	L82 S83 L88 V89 C90 Y106 I109 L111	L82-K86 WeakPolarHBondContact O-CB 3.42Å; L82-K86 VanDerWaalsContact O-CG 3.3Å; L82-K86 WeakPolarHBondContact O-CG 3.39Å; L82-K86 PolarHBondContact O-N 3.29Å; S83-K86 WeakPolarHBondContact O-CB 3.21Å; S83-K86 PolarHBondContact O-N 3.01Å; S83-K86 VanDerWaalsContact O-N 3.09Å; K86-L88 VanDerWaalsContact C-N 3.33Å; K86-V89 WeakPolarHBondContact O-CB 3.48Å; K86-V89 PolarHBondContact O-N 3.36Å; K86-C90 PolarHBondContact O-N 2.91Å; K86-C90 PolarHBondContact O-SG 3.49Å; K86-C90 VanDerWaalsContact O-SG 3.34Å; K86-Y106 HydrophobicContact CB-CD2 4Å; K86-Y106 HydrophobicContact CB-CE2 3.66Å; K86-Y106 PolarHBondContact NZ-O 2.85Å; K86-I109 WeakPolarHBondContact CE-O 3.39Å; K86-I109 HydrophobicContact CG-CB 4.49Å; K86-I109 HydrophobicContact CG-CG2 4.12Å; K86-I109 PolarHBondContact NZ-O 2.86Å; K86-L111 HydrophobicContact CG-CD1 4.44Å
87	D	81.9	Confident	77.4	Confident	87 Å²	87	62.3 Å²	62.3	47%	0.465	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-40.3	175	-76.9	-60.2	0	0	0	111.5	S83 C90 S91 Y106	S83-D87 PolarHBondContact O-N 3.31Å; D87-C90 PolarHBondContact O-N 3.43Å; D87-S91 WeakPolarHBondContact O-CB 3.44Å; D87-S91 PolarHBondContact O-N 2.78Å; D87-Y106 HydrophobicContact CB-CE2 4.5Å; D87-Y106 VanDerWaalsContact CG-CE2 3.49Å; D87-Y106 WeakPolarHBondContact OD1-CE2 3.41Å; D87-Y106 WeakPolarHBondContact OD2-CE2 3.41Å; D87-Y106 PolarHBondContact OD2-OH 2.73Å
88	L	83.6	Confident	76.6	Confident	53 Å²	53	63 Å²	63	28%	0.277	33%	0.327	S	S	.	.	H	α-helix	trans	-66.4	-40.9	174.3	-177.8	60.3	0	0	0	112.3	V73 I75 A84 V85 K86 S91 I92	V73-L88 HydrophobicContact CB-CD2 4.24Å; V73-L88 HydrophobicContact CG1-CD2 3.43Å; V73-L88 VanDerWaalsContact CG1-CD2 3.43Å; V73-L88 HydrophobicContact CG2-CD2 3.74Å; I75-L88 HydrophobicContact CD1-CD2 4.02Å; I75-L88 HydrophobicContact CG1-CD2 4.39Å; A84-L88 VanDerWaalsContact O-CB 3.26Å; A84-L88 WeakPolarHBondContact O-CB 3.03Å; A84-L88 PolarHBondContact O-N 3.33Å; V85-L88 PolarHBondContact O-N 3.38Å; K86-L88 VanDerWaalsContact C-N 3.33Å; L88-S91 WeakPolarHBondContact O-CB 3.22Å; L88-S91 PolarHBondContact O-N 3.44Å; L88-I92 HydrophobicContact CD1-CD1 4.07Å; L88-I92 HydrophobicContact CD1-CG1 4.21Å; L88-I92 HydrophobicContact CG-CD1 3.87Å; L88-I92 HydrophobicContact CG-CG1 4.43Å; L88-I92 WeakPolarHBondContact O-CB 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.33Å; L88-I92 PolarHBondContact O-N 2.76Å
89	V	83.4	Confident	75.3	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-56.7	-51.4	170.9	164	0	0	0	0	110.3	L64 V85 K86 S91 I92 V93 I109 L111 V139	L64-V89 HydrophobicContact CD1-CG2 3.74Å; L64-V89 HydrophobicContact CD2-CG2 4.03Å; V85-V89 VanDerWaalsContact O-CG2 3.31Å; V85-V89 WeakPolarHBondContact O-CG2 3.3Å; V85-V89 PolarHBondContact O-N 3.04Å; K86-V89 WeakPolarHBondContact O-CB 3.48Å; K86-V89 PolarHBondContact O-N 3.36Å; V89-S91 VanDerWaalsContact C-N 3.27Å; V89-S91 PolarHBondContact O-N 2.9Å; V89-I92 PolarHBondContact O-N 2.87Å; V89-V93 HydrophobicContact CG1-CG2 4.14Å; V89-V93 VanDerWaalsContact O-CB 3.26Å; V89-V93 WeakPolarHBondContact O-CB 3.45Å; V89-V93 WeakPolarHBondContact O-CG2 3.43Å; V89-V93 PolarHBondContact O-N 3.32Å; V89-I109 HydrophobicContact CG1-CD1 4.05Å; V89-I109 HydrophobicContact CG1-CG2 4.46Å; V89-L111 HydrophobicContact CG2-CD2 4.28Å; V89-V139 HydrophobicContact CG1-CG1 3.63Å; V89-V139 HydrophobicContact CG1-CG2 4.18Å; V89-V139 HydrophobicContact CG2-CG2 3.67Å
90	C	78.1	Confident	74.5	Confident	47 Å²	47	58.7 Å²	58.7	32%	0.318	31%	0.312	S	S	.	.	H	α-helix	trans	-56	-41.3	176.6	-71.1	0	0	0	0	112.4	K86 D87 Y94	K86-C90 PolarHBondContact O-N 2.91Å; K86-C90 PolarHBondContact O-SG 3.49Å; K86-C90 VanDerWaalsContact O-SG 3.34Å; D87-C90 PolarHBondContact O-N 3.43Å; C90-Y94 VanDerWaalsContact O-CB 3.31Å; C90-Y94 WeakPolarHBondContact O-CB 3.48Å; C90-Y94 PolarHBondContact O-N 2.88Å
91	S	77.4	Confident	73.1	Confident	68 Å²	68	59.1 Å²	59.1	48%	0.476	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-50.6	177.7	-171.7	0	0	0	0	112.8	D87 L88 V89 V93 Y94 Q95	D87-S91 WeakPolarHBondContact O-CB 3.44Å; D87-S91 PolarHBondContact O-N 2.78Å; L88-S91 WeakPolarHBondContact O-CB 3.22Å; L88-S91 PolarHBondContact O-N 3.44Å; V89-S91 VanDerWaalsContact C-N 3.27Å; V89-S91 PolarHBondContact O-N 2.9Å; S91-V93 VanDerWaalsContact C-N 3.32Å; S91-V93 PolarHBondContact O-N 2.97Å; S91-Y94 PolarHBondContact O-N 2.9Å; S91-Q95 WeakPolarHBondContact O-CB 3.2Å; S91-Q95 PolarHBondContact O-N 2.81Å
92	I	79.4	Confident	71.7	Confident	18 Å²	18	60.6 Å²	60.6	9%	0.092	33%	0.325	C	S	.	.	H	α-helix	trans	-58.6	-46	176.6	-72.4	168.7	0	0	0	110.3	L64 I66 E71 V73 L88 V89 Q95 K96	L64-I92 HydrophobicContact CD1-CD1 3.79Å; I66-I92 HydrophobicContact CD1-CB 4.46Å; I66-I92 HydrophobicContact CD1-CG2 3.69Å; E71-I92 HydrophobicContact CB-CD1 4.41Å; E71-I92 HydrophobicContact CG-CG2 3.81Å; V73-I92 HydrophobicContact CG2-CD1 4.11Å; L88-I92 HydrophobicContact CD1-CD1 4.07Å; L88-I92 HydrophobicContact CD1-CG1 4.21Å; L88-I92 HydrophobicContact CG-CD1 3.87Å; L88-I92 HydrophobicContact CG-CG1 4.43Å; L88-I92 WeakPolarHBondContact O-CB 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.33Å; L88-I92 PolarHBondContact O-N 2.76Å; V89-I92 PolarHBondContact O-N 2.87Å; I92-Q95 PolarHBondContact O-N 2.98Å; I92-K96 HydrophobicContact CG2-CG 4.17Å; I92-K96 WeakPolarHBondContact O-CB 3.27Å; I92-K96 VanDerWaalsContact O-CG 3.27Å; I92-K96 WeakPolarHBondContact O-CG 3.32Å; I92-K96 PolarHBondContact O-N 3.36Å
93	V	73.5	Confident	70.2	Confident	15 Å²	15	65.9 Å²	65.9	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-44.3	-179.7	172.2	0	0	0	0	110.9	I66 V89 S91 Q95 K96 F97 F102	I66-V93 HydrophobicContact CD1-CG2 3.8Å; I66-V93 HydrophobicContact CG1-CG2 4.43Å; I66-V93 HydrophobicContact CG2-CG2 4.09Å; V89-V93 HydrophobicContact CG1-CG2 4.14Å; V89-V93 VanDerWaalsContact O-CB 3.26Å; V89-V93 WeakPolarHBondContact O-CB 3.45Å; V89-V93 WeakPolarHBondContact O-CG2 3.43Å; V89-V93 PolarHBondContact O-N 3.32Å; S91-V93 VanDerWaalsContact C-N 3.32Å; S91-V93 PolarHBondContact O-N 2.97Å; V93-Q95 VanDerWaalsContact C-N 3.29Å; V93-Q95 PolarHBondContact O-N 2.86Å; V93-K96 PolarHBondContact O-N 2.79Å; V93-F97 HydrophobicContact CG1-CD2 4.15Å; V93-F97 WeakPolarHBondContact O-CA 3.15Å; V93-F97 WeakPolarHBondContact O-CB 3.35Å; V93-F97 PolarHBondContact O-N 2.98Å; V93-F102 HydrophobicContact CG1-CD2 3.25Å; V93-F102 HydrophobicContact CG1-CE2 3.13Å; V93-F102 HydrophobicContact CG1-CG 4.34Å; V93-F102 HydrophobicContact CG1-CZ 4.17Å
94	Y	67.2	Low	68.9	Low	172 Å²	172	66.1 Å²	66.1	68%	0.675	36%	0.358	S	S	*	.	H	α-helix	trans	-62.8	-34.6	175.1	-177.9	-93.4	0	0	0	112.7	C90 S91	C90-Y94 VanDerWaalsContact O-CB 3.31Å; C90-Y94 WeakPolarHBondContact O-CB 3.48Å; C90-Y94 PolarHBondContact O-N 2.88Å; S91-Y94 PolarHBondContact O-N 2.9Å
95	Q	67.5	Low	67.9	Low	125 Å²	125	64.9 Å²	64.9	58%	0.584	35%	0.346	S	S	*	.	H	α-helix	trans	-75.6	-37.8	177.9	-173.5	178.7	-0.8	0	0	113.3	S91 I92 V93	S91-Q95 WeakPolarHBondContact O-CB 3.2Å; S91-Q95 PolarHBondContact O-N 2.81Å; I92-Q95 PolarHBondContact O-N 2.98Å; V93-Q95 VanDerWaalsContact C-N 3.29Å; V93-Q95 PolarHBondContact O-N 2.86Å
96	K	65.9	Low	67	Low	92 Å²	92	68.5 Å²	68.5	40%	0.4	36%	0.36	S	S	.	.	H	α-helix	trans	-89.6	-29.4	-175.8	-64.4	-82.1	173	147.7	0	113	E71 I92 V93 P98	E71-K96 VanDerWaalsContact CD-CE 3.47Å; E71-K96 VanDerWaalsContact OE1-CE 3.29Å; E71-K96 WeakPolarHBondContact OE1-CE 3.49Å; E71-K96 IonicContact OE1-NZ 3.67Å; E71-K96 PolarHBondContact OE1-NZ 3.36Å; E71-K96 VanDerWaalsContact OE2-CE 3.29Å; E71-K96 WeakPolarHBondContact OE2-CE 3.4Å; E71-K96 IonicContact OE2-NZ 3.71Å; E71-K96 PolarHBondContact OE2-NZ 3.19Å; I92-K96 HydrophobicContact CG2-CG 4.17Å; I92-K96 WeakPolarHBondContact O-CB 3.27Å; I92-K96 VanDerWaalsContact O-CG 3.27Å; I92-K96 WeakPolarHBondContact O-CG 3.32Å; I92-K96 PolarHBondContact O-N 3.36Å; V93-K96 PolarHBondContact O-N 2.79Å; K96-P98 VanDerWaalsContact C-CD 3.43Å
97	F	65.1	Low	66.2	Low	66 Å²	66	73 Å²	73	29%	0.289	39%	0.387	S	S	.	.			trans	-128.7	57.6	-176.3	-49.3	-75.3	0	0	0	112	I66 V93 E99 C100	I66-F97 HydrophobicContact CG2-CE2 3.95Å; V93-F97 HydrophobicContact CG1-CD2 4.15Å; V93-F97 WeakPolarHBondContact O-CA 3.15Å; V93-F97 WeakPolarHBondContact O-CB 3.35Å; V93-F97 PolarHBondContact O-N 2.98Å; F97-E99 PolarHBondContact O-N 2.79Å; F97-C100 HydrophobicContact CB-CB 4.38Å; F97-C100 PolarHBondContact O-N 2.69Å
98	P	55.4	Low	65.8	Low	62 Å²	62	71.3 Å²	71.3	40%	0.403	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.7	-175.3	29.4	-38.1	0	0	0	114.6	K96 C100	K96-P98 VanDerWaalsContact C-CD 3.43Å; P98-C100 VanDerWaalsContact C-N 3.29Å
99	E	46.1	Very low	65.8	Low	129 Å²	129	69.1 Å²	69.1	60%	0.603	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-25	170.8	-43.6	-55.2	143.8	0	0	112.2	F97	F97-E99 PolarHBondContact O-N 2.79Å
100	C	54.9	Low	66	Low	54 Å²	54	71.8 Å²	71.8	37%	0.365	38%	0.377	S	S	.	.	S	Bend	trans	-104.6	94.2	-173.5	-61.8	0	0	0	0	110.4	F97 P98 F102	F97-C100 HydrophobicContact CB-CB 4.38Å; F97-C100 PolarHBondContact O-N 2.69Å; P98-C100 VanDerWaalsContact C-N 3.29Å; C100-F102 HydrophobicContact CB-CD2 4.02Å; C100-F102 HydrophobicContact CB-CE1 4.36Å; C100-F102 HydrophobicContact CB-CE2 3.29Å; C100-F102 HydrophobicContact CB-CZ 3.53Å; C100-F102 WeakPolarHBondContact O-CD2 3.37Å; C100-F102 WeakPolarHBondContact O-CE2 3.48Å; C100-F102 PolarHBondContact O-N 3.05Å
101	G	51.8	Low	66.5	Low	39 Å²	39	69.7 Å²	69.7	40%	0.402	36%	0.363	S	S	.	.			trans	-77.2	75.4	-176.6	0	0	0	0	0	114.2	F103	G101-F103 PolarHBondContact O-N 3.42Å
102	F	56.2	Low	67.2	Low	70 Å²	70	68.3 Å²	68.3	31%	0.307	35%	0.349	S	S	.	.			trans	-69.3	96.7	-178.8	-59.7	-71.8	0	0	0	113	V93 C100 M105 F150	V93-F102 HydrophobicContact CG1-CD2 3.25Å; V93-F102 HydrophobicContact CG1-CE2 3.13Å; V93-F102 HydrophobicContact CG1-CG 4.34Å; V93-F102 HydrophobicContact CG1-CZ 4.17Å; C100-F102 HydrophobicContact CB-CD2 4.02Å; C100-F102 HydrophobicContact CB-CE1 4.36Å; C100-F102 HydrophobicContact CB-CE2 3.29Å; C100-F102 HydrophobicContact CB-CZ 3.53Å; C100-F102 WeakPolarHBondContact O-CD2 3.37Å; C100-F102 WeakPolarHBondContact O-CE2 3.48Å; C100-F102 PolarHBondContact O-N 3.05Å; F102-M105 HydrophobicContact CB-CG 4.19Å; F102-M105 HydrophobicContact CB-SD 4.45Å; F102-M105 HydrophobicContact CD1-CG 4.22Å; F102-M105 HydrophobicContact CD1-SD 3.42Å; F102-M105 WeakPolarHBondContact CD1-SD 3.47Å; F102-M105 HydrophobicContact CE1-SD 4.05Å; F102-M105 HydrophobicContact CG-SD 4.32Å; F102-F150 AromaticContact CE1-CD1 3.87Å; F102-F150 HydrophobicContact CE1-CD1 3.87Å; F102-F150 AromaticContact CE1-CE1 3.87Å; F102-F150 HydrophobicContact CE1-CE1 3.87Å
103	F	50.6	Low	67.7	Low	157 Å²	157	69.3 Å²	69.3	69%	0.689	35%	0.351	S	S	*	.			trans	-99.6	137.2	171.5	-102.9	-97.5	0	0	0	110.6	G101 M105	G101-F103 PolarHBondContact O-N 3.42Å; F103-M105 PolarHBondContact O-N 2.93Å; F103-M105 VanDerWaalsContact O-N 3.16Å
104	G	54.7	Low	68.4	Low	60 Å²	60	70.4 Å²	70.4	62%	0.619	36%	0.355	S	S	*	.	S	Bend	trans	70.2	5.4	172.7	0	0	0	0	0	116.4	Y106	G104-Y106 PolarHBondContact O-N 3.27Å
105	M	63.2	Low	69.2	Low	7 Å²	7	64 Å²	64	3%	0.034	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-75.2	-3.2	-175.9	-66.5	-139.7	80.6	0	0	115.5	F102 F103 D107 K108 I109 L141 A145 F150	F102-M105 HydrophobicContact CB-CG 4.19Å; F102-M105 HydrophobicContact CB-SD 4.45Å; F102-M105 HydrophobicContact CD1-CG 4.22Å; F102-M105 HydrophobicContact CD1-SD 3.42Å; F102-M105 WeakPolarHBondContact CD1-SD 3.47Å; F102-M105 HydrophobicContact CE1-SD 4.05Å; F102-M105 HydrophobicContact CG-SD 4.32Å; F103-M105 PolarHBondContact O-N 2.93Å; F103-M105 VanDerWaalsContact O-N 3.16Å; M105-D107 VanDerWaalsContact C-N 3.3Å; M105-D107 PolarHBondContact O-N 2.88Å; M105-K108 HydrophobicContact CE-CB 3.97Å; M105-K108 HydrophobicContact CE-CD 4.37Å; M105-K108 CarbonylContact O-C 3.29Å; M105-K108 WeakPolarHBondContact O-CA 3.48Å; M105-K108 PolarHBondContact O-N 2.97Å; M105-I109 WeakPolarHBondContact O-CG1 3.3Å; M105-I109 PolarHBondContact O-N 3.19Å; M105-L141 HydrophobicContact CE-CD1 4.14Å; M105-L141 HydrophobicContact CE-CD2 3.89Å; M105-L141 HydrophobicContact CE-CG 4.42Å; M105-L141 HydrophobicContact SD-CD1 4.29Å; M105-L141 HydrophobicContact SD-CD2 4.17Å; M105-A145 HydrophobicContact CE-CB 3.6Å; M105-F150 HydrophobicContact CE-CZ 4.48Å
106	Y	65.6	Low	69.8	Low	76 Å²	76	64.2 Å²	64.2	30%	0.298	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-51.6	-46.5	-175.8	-164.6	-107.1	0	0	0	113.2	S83 K86 D87 G104 K108	S83-Y106 WeakPolarHBondContact CA-OH 3.07Å; S83-Y106 WeakPolarHBondContact CB-OH 3.19Å; S83-Y106 PolarHBondContact O-OH 2.91Å; K86-Y106 HydrophobicContact CB-CD2 4Å; K86-Y106 HydrophobicContact CB-CE2 3.66Å; K86-Y106 PolarHBondContact NZ-O 2.85Å; D87-Y106 HydrophobicContact CB-CE2 4.5Å; D87-Y106 VanDerWaalsContact CG-CE2 3.49Å; D87-Y106 WeakPolarHBondContact OD1-CE2 3.41Å; D87-Y106 WeakPolarHBondContact OD2-CE2 3.41Å; D87-Y106 PolarHBondContact OD2-OH 2.73Å; G104-Y106 PolarHBondContact O-N 3.27Å; Y106-K108 VanDerWaalsContact C-N 3.27Å; Y106-K108 PolarHBondContact O-N 2.93Å
107	D	68.1	Low	70.5	Confident	135 Å²	135	67.4 Å²	67.4	72%	0.722	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-78.6	-12.9	-179.9	-52.1	-48.3	0	0	0	112.8	M105	M105-D107 VanDerWaalsContact C-N 3.3Å; M105-D107 PolarHBondContact O-N 2.88Å
108	K	73.7	Confident	71.3	Confident	50 Å²	50	66.1 Å²	66.1	22%	0.217	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-100.9	-9.8	-178.5	-60.1	-173.2	178.3	-170.2	0	113.6	M105 Y106 S142 L144 A145 D149	M105-K108 HydrophobicContact CE-CB 3.97Å; M105-K108 HydrophobicContact CE-CD 4.37Å; M105-K108 CarbonylContact O-C 3.29Å; M105-K108 WeakPolarHBondContact O-CA 3.48Å; M105-K108 PolarHBondContact O-N 2.97Å; Y106-K108 VanDerWaalsContact C-N 3.27Å; Y106-K108 PolarHBondContact O-N 2.93Å; K108-S142 VanDerWaalsContact O-CB 3.32Å; K108-S142 WeakPolarHBondContact O-CB 3.26Å; K108-S142 PolarHBondContact O-N 3.42Å; K108-L144 WeakPolarHBondContact CE-O 3.3Å; K108-L144 PolarHBondContact NZ-O 2.82Å; K108-A145 HydrophobicContact CD-CB 4.38Å; K108-D149 IonicContact NZ-OD1 3.49Å; K108-D149 PolarHBondContact NZ-OD1 2.91Å; K108-D149 IonicContact NZ-OD2 3.88Å; K108-D149 PolarHBondContact NZ-OD2 3.36Å
109	I	83.6	Confident	72.2	Confident	7 Å²	7	72.6 Å²	72.6	4%	0.036	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.3	170.7	-69.3	160.5	0	0	0	109.8	K86 V89 M105 L111 V139 L141	K86-I109 WeakPolarHBondContact CE-O 3.39Å; K86-I109 HydrophobicContact CG-CB 4.49Å; K86-I109 HydrophobicContact CG-CG2 4.12Å; K86-I109 PolarHBondContact NZ-O 2.86Å; V89-I109 HydrophobicContact CG1-CD1 4.05Å; V89-I109 HydrophobicContact CG1-CG2 4.46Å; M105-I109 WeakPolarHBondContact O-CG1 3.3Å; M105-I109 PolarHBondContact O-N 3.19Å; I109-L111 HydrophobicContact CG2-CD2 4Å; I109-L111 HydrophobicContact CG2-CG 4.42Å; I109-V139 HydrophobicContact CG2-CG1 4.14Å; I109-L141 HydrophobicContact CG1-CD2 4.09Å
110	L	87.3	Confident	73.8	Confident	58 Å²	58	71.8 Å²	71.8	30%	0.304	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.2	169	-56.6	176.9	0	0	0	108.9	F112 L124 V140	L110-F112 HydrophobicContact CB-CD2 4.37Å; L110-F112 HydrophobicContact CB-CE2 3.74Å; L110-F112 HydrophobicContact CD1-CE2 4.29Å; L110-L124 HydrophobicContact CB-CD1 4.18Å; L110-L124 HydrophobicContact CD2-CD1 4.43Å; L110-V140 WeakPolarHBondContact CB-O 3.15Å; L110-V140 PolarHBondContact N-O 2.88Å; L110-V140 PolarHBondContact O-N 3.24Å
111	L	89.7	Confident	75.2	Confident	4 Å²	4	73.2 Å²	73.2	2%	0.021	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.5	-178.9	-58.5	176.2	0	0	0	108.8	L82 V85 K86 V89 I109 I125 V137 E138 V139	L82-L111 HydrophobicContact CD2-CD1 3.83Å; V85-L111 HydrophobicContact CB-CD1 4.18Å; V85-L111 HydrophobicContact CG1-CD1 3.64Å; K86-L111 HydrophobicContact CG-CD1 4.44Å; V89-L111 HydrophobicContact CG2-CD2 4.28Å; I109-L111 HydrophobicContact CG2-CD2 4Å; I109-L111 HydrophobicContact CG2-CG 4.42Å; L111-I125 HydrophobicContact CB-CB 4.32Å; L111-I125 HydrophobicContact CB-CD1 4.05Å; L111-I125 WeakPolarHBondContact O-CB 3.22Å; L111-I125 PolarHBondContact O-N 3.36Å; L111-V137 HydrophobicContact CB-CG1 4.08Å; L111-V137 HydrophobicContact CD2-CG1 4.36Å; L111-E138 WeakPolarHBondContact CA-O 3.41Å; L111-V139 HydrophobicContact CD2-CB 4.5Å; L111-V139 HydrophobicContact CD2-CG2 3.92Å
112	F	90.9	Very high	76.9	Confident	39 Å²	39	74.9 Å²	74.9	17%	0.171	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.2	-177.5	-71.7	-97.1	0	0	0	111.1	L110 L122 Q123 L124 V137 E138 V140	L110-F112 HydrophobicContact CB-CD2 4.37Å; L110-F112 HydrophobicContact CB-CE2 3.74Å; L110-F112 HydrophobicContact CD1-CE2 4.29Å; F112-L122 HydrophobicContact CB-CB 4.22Å; F112-L122 HydrophobicContact CB-CD2 4.33Å; F112-L122 HydrophobicContact CD1-CB 3.84Å; F112-L122 HydrophobicContact CG-CB 4.32Å; F112-Q123 CarbonylContact C-O 3.43Å; F112-Q123 WeakPolarHBondContact CA-O 3.45Å; F112-L124 HydrophobicContact CD1-CB 4.03Å; F112-L124 HydrophobicContact CD1-CD1 4.42Å; F112-L124 HydrophobicContact CD2-CD1 4.38Å; F112-L124 HydrophobicContact CE1-CB 3.73Å; F112-L124 HydrophobicContact CE1-CD1 4Å; F112-L124 HydrophobicContact CE1-CG 4.44Å; F112-L124 HydrophobicContact CE2-CD1 3.95Å; F112-L124 HydrophobicContact CZ-CB 4.32Å; F112-L124 HydrophobicContact CZ-CD1 3.75Å; F112-V137 CarbonylContact O-C 3.57Å; F112-V137 WeakPolarHBondContact O-CA 3.21Å; F112-E138 PolarHBondContact N-O 3.26Å; F112-E138 PolarHBondContact O-N 2.74Å; F112-V140 HydrophobicContact CD2-CB 3.9Å; F112-V140 HydrophobicContact CD2-CG2 3.59Å; F112-V140 HydrophobicContact CE2-CB 3.81Å; F112-V140 HydrophobicContact CE2-CG1 4.29Å; F112-V140 HydrophobicContact CE2-CG2 3.91Å
113	R	91.8	Very high	78.3	Confident	38 Å²	38	74.7 Å²	74.7	14%	0.143	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	133.9	169.8	-170.6	-177.4	71.2	-127.7	-0.1	109	D115 Q123 I125 E130 D135	R113-D115 IonicContact CZ-OD2 3.79Å; R113-D115 IonicContact NE-OD2 3.31Å; R113-D115 IonicContact NH2-OD2 3.3Å; R113-D115 PolarHBondContact NH2-OD2 3.38Å; R113-D115 PolarHBondContact O-N 2.85Å; R113-Q123 PolarHBondContact N-O 3.36Å; R113-Q123 PolarHBondContact O-N 3.35Å; R113-I125 HydrophobicContact CB-CD1 4.11Å; R113-I125 HydrophobicContact CB-CG1 4.08Å; R113-E130 PolarHBondContact NH1-O 2.82Å; R113-D135 VanDerWaalsContact CD-CG 3.46Å; R113-D135 WeakPolarHBondContact CD-OD2 3.27Å; R113-D135 HydrophobicContact CG-CB 4.31Å
114	H	86.9	Confident	80.1	Confident	38 Å²	38	71 Å²	71	18%	0.176	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	111.2	168.3	-80.7	-129	0	0	0	109.9	M116 I121 L122 L136 E138	H114-M116 HydrophobicContact CB-CE 4.06Å; H114-I121 CarbonylContact C-O 3.53Å; H114-I121 WeakPolarHBondContact CA-O 3.49Å; H114-L122 VanDerWaalsContact CD2-CD2 3.49Å; H114-L122 WeakPolarHBondContact CD2-CD2 3.22Å; H114-L122 VanDerWaalsContact NE2-CD2 3.27Å; H114-L122 WeakPolarHBondContact NE2-CD2 3.4Å; H114-L136 HydrophobicContact CB-CB 4.11Å; H114-L136 HydrophobicContact CB-CD2 4.42Å; H114-L136 HydrophobicContact CB-CG 4.43Å; H114-L136 PolarHBondContact N-O 2.68Å; H114-E138 IonicContact CD2-OE2 3.62Å; H114-E138 IonicContact CE1-OE2 3.7Å; H114-E138 PolarHBondContact CE1-OE2 2.77Å; H114-E138 IonicContact NE2-OE2 2.68Å; H114-E138 PolarHBondContact NE2-OE2 2.98Å
115	D	85.3	Confident	81.8	Confident	38 Å²	38	68.6 Å²	68.6	20%	0.203	34%	0.343	C	S	.	.			trans	-118.8	94.1	177.6	-157.7	-35.2	0	0	0	110.8	R113 N117 S118 I121 Q123	R113-D115 IonicContact CZ-OD2 3.79Å; R113-D115 IonicContact NE-OD2 3.31Å; R113-D115 IonicContact NH2-OD2 3.3Å; R113-D115 PolarHBondContact NH2-OD2 3.38Å; R113-D115 PolarHBondContact O-N 2.85Å; D115-N117 PolarHBondContact O-N 3.16Å; D115-N117 PolarHBondContact OD1-N 3.23Å; D115-N117 PolarHBondContact OD1-ND2 2.88Å; D115-S118 PolarHBondContact O-N 3.24Å; D115-S118 VanDerWaalsContact O-N 3.11Å; D115-I121 PolarHBondContact N-O 2.79Å; D115-Q123 HydrophobicContact CB-CG 3.91Å
116	M	78.9	Confident	82.8	Confident	130 Å²	130	73.4 Å²	73.4	64%	0.64	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-2.5	-174.7	-60.6	-70.1	155.2	0	0	114	H114 I121	H114-M116 HydrophobicContact CB-CE 4.06Å; M116-I121 HydrophobicContact CE-CG2 3.59Å; M116-I121 HydrophobicContact SD-CG2 3.83Å
117	N	80.6	Confident	83.6	Confident	158 Å²	158	72.1 Å²	72.1	85%	0.845	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-2.8	176.3	-47.1	-79.4	0	0	0	112.6	D115	D115-N117 PolarHBondContact O-N 3.16Å; D115-N117 PolarHBondContact OD1-N 3.23Å; D115-N117 PolarHBondContact OD1-ND2 2.88Å
118	S	82.9	Confident	84.3	Confident	40 Å²	40	66.1 Å²	66.1	28%	0.28	34%	0.344	S	S	.	.	S	Bend	trans	-101.5	143.5	177.6	-175.1	0	0	0	0	110.6	D115 N120 Q123	D115-S118 PolarHBondContact O-N 3.24Å; D115-S118 VanDerWaalsContact O-N 3.11Å; S118-N120 WeakPolarHBondContact CB-O 3.47Å; S118-N120 PolarHBondContact O-N 3.39Å; S118-N120 PolarHBondContact OG-N 3.19Å; S118-N120 PolarHBondContact OG-O 3.37Å; S118-Q123 PolarHBondContact OG-NE2 3.24Å
119	E	74	Confident	84.7	Confident	197 Å²	197	70.1 Å²	70.1	92%	0.921	37%	0.368	S	S	*	.	S	Bend	trans	-58.9	-29.7	169.3	-62.8	-174.5	154.2	0	0	111.5
120	N	79.5	Confident	84.7	Confident	112 Å²	112	72.1 Å²	72.1	60%	0.599	38%	0.377	S	S	*	.	S	Bend	trans	-99.8	91.4	170.1	-70.9	-68.9	0	0	0	109.2	S118 L122 Q123	S118-N120 WeakPolarHBondContact CB-O 3.47Å; S118-N120 PolarHBondContact O-N 3.39Å; S118-N120 PolarHBondContact OG-N 3.19Å; S118-N120 PolarHBondContact OG-O 3.37Å; N120-L122 PolarHBondContact O-N 2.99Å; N120-L122 VanDerWaalsContact O-N 3.11Å; N120-Q123 PolarHBondContact O-NE2 3.24Å
121	I	84.3	Confident	84.6	Confident	84 Å²	84	69.8 Å²	69.8	43%	0.431	37%	0.365	S	S	.	.	S	Bend	trans	-57.6	-29.1	-175.8	-60.5	172.3	0	0	0	112.4	H114 D115 M116	H114-I121 CarbonylContact C-O 3.53Å; H114-I121 WeakPolarHBondContact CA-O 3.49Å; D115-I121 PolarHBondContact N-O 2.79Å; M116-I121 HydrophobicContact CE-CG2 3.59Å; M116-I121 HydrophobicContact SD-CG2 3.83Å
122	L	86.4	Confident	84.4	Confident	75 Å²	75	77.6 Å²	77.6	39%	0.393	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	108.2	175.3	-61	-178.7	0	0	0	110.8	F112 H114 N120	F112-L122 HydrophobicContact CB-CB 4.22Å; F112-L122 HydrophobicContact CB-CD2 4.33Å; F112-L122 HydrophobicContact CD1-CB 3.84Å; F112-L122 HydrophobicContact CG-CB 4.32Å; H114-L122 VanDerWaalsContact CD2-CD2 3.49Å; H114-L122 WeakPolarHBondContact CD2-CD2 3.22Å; H114-L122 VanDerWaalsContact NE2-CD2 3.27Å; H114-L122 WeakPolarHBondContact NE2-CD2 3.4Å; N120-L122 PolarHBondContact O-N 2.99Å; N120-L122 VanDerWaalsContact O-N 3.11Å
123	Q	87.3	Confident	84.1	Confident	65 Å²	65	82.9 Å²	82.9	30%	0.304	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.8	175.1	-64.9	-64.4	-47.1	0	0	110	F112 R113 D115 S118 N120 I125	F112-Q123 CarbonylContact C-O 3.43Å; F112-Q123 WeakPolarHBondContact CA-O 3.45Å; R113-Q123 PolarHBondContact N-O 3.36Å; R113-Q123 PolarHBondContact O-N 3.35Å; D115-Q123 HydrophobicContact CB-CG 3.91Å; S118-Q123 PolarHBondContact OG-NE2 3.24Å; N120-Q123 PolarHBondContact O-NE2 3.24Å; Q123-I125 PolarHBondContact O-N 3.45Å
124	L	88.3	Confident	83.6	Confident	80 Å²	80	84 Å²	84	42%	0.419	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.8	179.2	178.1	67.9	0	0	0	110.4	L110 F112 T126	L110-L124 HydrophobicContact CB-CD1 4.18Å; L110-L124 HydrophobicContact CD2-CD1 4.43Å; F112-L124 HydrophobicContact CD1-CB 4.03Å; F112-L124 HydrophobicContact CD1-CD1 4.42Å; F112-L124 HydrophobicContact CD2-CD1 4.38Å; F112-L124 HydrophobicContact CE1-CB 3.73Å; F112-L124 HydrophobicContact CE1-CD1 4Å; F112-L124 HydrophobicContact CE1-CG 4.44Å; F112-L124 HydrophobicContact CE2-CD1 3.95Å; F112-L124 HydrophobicContact CZ-CB 4.32Å; F112-L124 HydrophobicContact CZ-CD1 3.75Å; L124-T126 HydrophobicContact CG-CG2 4.49Å
125	I	89	Confident	83.7	Confident	10 Å²	10	83.4 Å²	83.4	5%	0.051	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-80	120.1	-179	-59.6	170.2	0	0	0	109.2	L82 L111 R113 Q123 S127 E130 I131 V137	L82-I125 HydrophobicContact CD2-CG2 3.88Å; L111-I125 HydrophobicContact CB-CB 4.32Å; L111-I125 HydrophobicContact CB-CD1 4.05Å; L111-I125 WeakPolarHBondContact O-CB 3.22Å; L111-I125 PolarHBondContact O-N 3.36Å; R113-I125 HydrophobicContact CB-CD1 4.11Å; R113-I125 HydrophobicContact CB-CG1 4.08Å; Q123-I125 PolarHBondContact O-N 3.45Å; I125-S127 WeakPolarHBondContact CG2-O 3.47Å; I125-E130 HydrophobicContact CG2-CB 4.23Å; I125-I131 HydrophobicContact CD1-CD1 4.45Å; I125-I131 HydrophobicContact CD1-CG1 4.04Å; I125-I131 HydrophobicContact CG2-CD1 4.44Å; I125-I131 HydrophobicContact CG2-CG1 4.15Å; I125-V137 HydrophobicContact CD1-CB 4.43Å; I125-V137 HydrophobicContact CD1-CG1 3.71Å; I125-V137 HydrophobicContact CD1-CG2 3.97Å
126	T	84.5	Confident	83.8	Confident	107 Å²	107	83.1 Å²	83.1	66%	0.656	44%	0.439	S	S	*	.			trans	-111.4	-23.2	-176.8	67	0	0	0	0	114.5	L82 L124 E130	L82-T126 WeakPolarHBondContact CD1-O 3.48Å; L124-T126 HydrophobicContact CG-CG2 4.49Å; T126-E130 VanDerWaalsContact CA-OE1 3.3Å; T126-E130 WeakPolarHBondContact CA-OE1 3.27Å; T126-E130 WeakPolarHBondContact CB-OE1 3.24Å; T126-E130 PolarHBondContact N-OE1 3.15Å; T126-E130 PolarHBondContact OG1-OE1 3.48Å
127	S	83.4	Confident	84.4	Confident	50 Å²	50	76.9 Å²	76.9	35%	0.35	41%	0.409	S	S	.	.	S	Bend	trans	-127.7	160	162.6	-162.2	0	0	0	0	111.8	I125 D129 E130	I125-S127 WeakPolarHBondContact CG2-O 3.47Å; S127-D129 VanDerWaalsContact C-N 3.25Å; S127-D129 WeakPolarHBondContact CB-OD2 3.42Å; S127-D129 PolarHBondContact O-N 2.66Å; S127-D129 PolarHBondContact OG-OD2 3.47Å; S127-E130 PolarHBondContact N-OE1 3.2Å; S127-E130 PolarHBondContact O-N 2.73Å
128	A	82.4	Confident	84.9	Confident	8 Å²	8	71.2 Å²	71.2	7%	0.066	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-67.3	-27.2	177.6	0	0	0	0	0	112.8	L80 L82 E130 I131	L80-A128 HydrophobicContact CG-CB 4.3Å; L80-A128 WeakPolarHBondContact O-CB 3.29Å; L82-A128 HydrophobicContact CG-CB 4.5Å; A128-E130 PolarHBondContact O-N 3.08Å; A128-E130 VanDerWaalsContact O-N 3.13Å; A128-I131 WeakPolarHBondContact O-CB 3.36Å; A128-I131 PolarHBondContact O-N 2.94Å; A128-I131 VanDerWaalsContact O-N 3.1Å
129	D	81.4	Confident	85.2	Confident	134 Å²	134	70.2 Å²	70.2	72%	0.717	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-64.7	-13	178.6	-40.2	-89.2	0	0	0	113.7	S127 I131	S127-D129 VanDerWaalsContact C-N 3.25Å; S127-D129 WeakPolarHBondContact CB-OD2 3.42Å; S127-D129 PolarHBondContact O-N 2.66Å; S127-D129 PolarHBondContact OG-OD2 3.47Å; D129-I131 VanDerWaalsContact C-N 3.31Å
130	E	84.3	Confident	85.6	Confident	50 Å²	50	63.3 Å²	63.3	23%	0.234	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-80.2	-13.2	176	-60.2	177.5	-130.9	0	0	113.2	R113 I125 T126 S127 A128	R113-E130 PolarHBondContact NH1-O 2.82Å; I125-E130 HydrophobicContact CG2-CB 4.23Å; T126-E130 VanDerWaalsContact CA-OE1 3.3Å; T126-E130 WeakPolarHBondContact CA-OE1 3.27Å; T126-E130 WeakPolarHBondContact CB-OE1 3.24Å; T126-E130 PolarHBondContact N-OE1 3.15Å; T126-E130 PolarHBondContact OG1-OE1 3.48Å; S127-E130 PolarHBondContact N-OE1 3.2Å; S127-E130 PolarHBondContact O-N 2.73Å; A128-E130 PolarHBondContact O-N 3.08Å; A128-E130 VanDerWaalsContact O-N 3.13Å
131	I	85.8	Confident	85.5	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.041	33%	0.329	C	S	.	.			trans	-88.2	124.4	177.2	-57.3	173.8	0	0	0	109.3	V60 F62 V85 I125 A128 D129 V137	V60-I131 HydrophobicContact CG1-CG2 4.42Å; F62-I131 HydrophobicContact CB-CG2 4.2Å; F62-I131 HydrophobicContact CD1-CG2 3.74Å; F62-I131 HydrophobicContact CD2-CG2 4.15Å; F62-I131 HydrophobicContact CE1-CG2 4.07Å; F62-I131 HydrophobicContact CE2-CG2 4.44Å; F62-I131 HydrophobicContact CG-CG2 3.78Å; F62-I131 HydrophobicContact CZ-CG2 4.41Å; V85-I131 HydrophobicContact CG2-CD1 4.18Å; I125-I131 HydrophobicContact CD1-CD1 4.45Å; I125-I131 HydrophobicContact CD1-CG1 4.04Å; I125-I131 HydrophobicContact CG2-CD1 4.44Å; I125-I131 HydrophobicContact CG2-CG1 4.15Å; A128-I131 WeakPolarHBondContact O-CB 3.36Å; A128-I131 PolarHBondContact O-N 2.94Å; A128-I131 VanDerWaalsContact O-N 3.1Å; D129-I131 VanDerWaalsContact C-N 3.31Å; I131-V137 HydrophobicContact CG1-CG2 4.48Å; I131-V137 HydrophobicContact CG2-CG2 4.36Å
132	R	85	Confident	85.2	Confident	168 Å²	168	58.5 Å²	58.5	63%	0.634	32%	0.317	S	S	*	.			trans	-117.4	164.5	-177.6	-60.8	179.5	175.4	179	-0.9	111.5	G134 D135	R132-G134 PolarHBondContact O-N 2.94Å; R132-D135 PolarHBondContact N-OD2 2.8Å; R132-D135 WeakPolarHBondContact O-CB 3.32Å; R132-D135 PolarHBondContact O-N 2.79Å
133	E	83.3	Confident	84	Confident	150 Å²	150	60 Å²	60	70%	0.701	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	126.4	175.8	-170.8	174.2	-157.3	0	0	110.6	S61	S61-E133 CarbonylContact O-C 3.5Å; S61-E133 WeakPolarHBondContact O-CA 3.32Å
134	G	82.3	Confident	82.6	Confident	62 Å²	62	63.2 Å²	63.2	64%	0.639	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-4.8	-176.5	0	0	0	0	0	115.6	S61 R132	S61-G134 PolarHBondContact O-N 2.84Å; R132-G134 PolarHBondContact O-N 2.94Å
135	D	89.4	Confident	81.3	Confident	25 Å²	25	60.4 Å²	60.4	13%	0.134	35%	0.347	C	S	.	.			trans	-61.8	147.8	-179.6	-80.5	-9.6	0	0	0	112.9	F62 L63 R113 R132 V137	F62-D135 HydrophobicContact CB-CB 4.36Å; F62-D135 WeakPolarHBondContact CB-O 3.35Å; L63-D135 PolarHBondContact N-O 2.85Å; R113-D135 VanDerWaalsContact CD-CG 3.46Å; R113-D135 WeakPolarHBondContact CD-OD2 3.27Å; R113-D135 HydrophobicContact CG-CB 4.31Å; R132-D135 PolarHBondContact N-OD2 2.8Å; R132-D135 WeakPolarHBondContact O-CB 3.32Å; R132-D135 PolarHBondContact O-N 2.79Å; D135-V137 HydrophobicContact CB-CG2 4.35Å
136	L	87.4	Confident	79.7	Confident	32 Å²	32	63.4 Å²	63.4	17%	0.168	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.9	164.7	179.9	64.1	0	0	0	108.9	L63 Q65 H114	L63-L136 HydrophobicContact CB-CD1 3.71Å; Q65-L136 HydrophobicContact CB-CD1 4.03Å; H114-L136 HydrophobicContact CB-CB 4.11Å; H114-L136 HydrophobicContact CB-CD2 4.42Å; H114-L136 HydrophobicContact CB-CG 4.43Å; H114-L136 PolarHBondContact N-O 2.68Å
137	V	90.9	Very high	78.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.8	-178.1	176.5	0	0	0	0	109.1	F62 L63 L64 Q65 L111 F112 I125 I131 D135	F62-V137 HydrophobicContact CD2-CB 4.19Å; F62-V137 HydrophobicContact CD2-CG2 3.84Å; F62-V137 HydrophobicContact CE2-CB 4.46Å; F62-V137 HydrophobicContact CE2-CG2 4.31Å; L63-V137 PolarHBondContact O-N 2.74Å; L64-V137 CarbonylContact C-O 3.56Å; L64-V137 WeakPolarHBondContact CA-O 3.31Å; L64-V137 HydrophobicContact CD2-CB 4.14Å; L64-V137 HydrophobicContact CD2-CG1 3.96Å; Q65-V137 PolarHBondContact N-O 2.78Å; L111-V137 HydrophobicContact CB-CG1 4.08Å; L111-V137 HydrophobicContact CD2-CG1 4.36Å; F112-V137 CarbonylContact O-C 3.57Å; F112-V137 WeakPolarHBondContact O-CA 3.21Å; I125-V137 HydrophobicContact CD1-CB 4.43Å; I125-V137 HydrophobicContact CD1-CG1 3.71Å; I125-V137 HydrophobicContact CD1-CG2 3.97Å; I131-V137 HydrophobicContact CG1-CG2 4.48Å; I131-V137 HydrophobicContact CG2-CG2 4.36Å; D135-V137 HydrophobicContact CB-CG2 4.35Å
138	E	91.6	Very high	76.5	Confident	39 Å²	39	69.3 Å²	69.3	18%	0.182	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.1	179	-176.9	153.5	-141.4	0	0	111.9	Q65 L111 F112 H114 V140	Q65-E138 HydrophobicContact CB-CB 4.43Å; Q65-E138 HydrophobicContact CG-CG 4.47Å; Q65-E138 VanDerWaalsContact NE2-CD 3.27Å; Q65-E138 PolarHBondContact NE2-OE1 2.83Å; L111-E138 WeakPolarHBondContact CA-O 3.41Å; F112-E138 PolarHBondContact N-O 3.26Å; F112-E138 PolarHBondContact O-N 2.74Å; H114-E138 IonicContact CD2-OE2 3.62Å; H114-E138 IonicContact CE1-OE2 3.7Å; H114-E138 PolarHBondContact CE1-OE2 2.77Å; H114-E138 IonicContact NE2-OE2 2.68Å; H114-E138 PolarHBondContact NE2-OE2 2.98Å; E138-V140 HydrophobicContact CG-CG2 4.07Å
139	V	88	Confident	75	Confident	19 Å²	19	70.6 Å²	70.6	12%	0.115	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.6	179.6	-178.7	0	0	0	0	108.8	L64 Q65 I66 V89 I109 L111	L64-V139 HydrophobicContact CD2-CG2 4.01Å; Q65-V139 WeakPolarHBondContact O-CB 3.4Å; Q65-V139 PolarHBondContact O-N 2.76Å; I66-V139 HydrophobicContact CG1-CB 3.89Å; I66-V139 HydrophobicContact CG1-CG1 4.43Å; I66-V139 HydrophobicContact CG1-CG2 3.69Å; V89-V139 HydrophobicContact CG1-CG1 3.63Å; V89-V139 HydrophobicContact CG1-CG2 4.18Å; V89-V139 HydrophobicContact CG2-CG2 3.67Å; I109-V139 HydrophobicContact CG2-CG1 4.14Å; L111-V139 HydrophobicContact CD2-CB 4.5Å; L111-V139 HydrophobicContact CD2-CG2 3.92Å
140	V	83.8	Confident	73.7	Confident	51 Å²	51	68.4 Å²	68.4	31%	0.309	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.1	-179.1	-177.6	0	0	0	0	109.3	L110 F112 E138	L110-V140 WeakPolarHBondContact CB-O 3.15Å; L110-V140 PolarHBondContact N-O 2.88Å; L110-V140 PolarHBondContact O-N 3.24Å; F112-V140 HydrophobicContact CD2-CB 3.9Å; F112-V140 HydrophobicContact CD2-CG2 3.59Å; F112-V140 HydrophobicContact CE2-CB 3.81Å; F112-V140 HydrophobicContact CE2-CG1 4.29Å; F112-V140 HydrophobicContact CE2-CG2 3.91Å; E138-V140 HydrophobicContact CG-CG2 4.07Å
141	L	76.3	Confident	72.1	Confident	70 Å²	70	71.2 Å²	71.2	37%	0.366	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.5	172.4	-60.1	179.8	0	0	0	109.4	M105 I109 F150	M105-L141 HydrophobicContact CE-CD1 4.14Å; M105-L141 HydrophobicContact CE-CD2 3.89Å; M105-L141 HydrophobicContact CE-CG 4.42Å; M105-L141 HydrophobicContact SD-CD1 4.29Å; M105-L141 HydrophobicContact SD-CD2 4.17Å; I109-L141 HydrophobicContact CG1-CD2 4.09Å; L141-F150 HydrophobicContact CD1-CE1 3.78Å; L141-F150 HydrophobicContact CD1-CZ 3.81Å
142	S	77.7	Confident	70.6	Confident	26 Å²	26	75.7 Å²	75.7	18%	0.182	42%	0.415	C	S	.	.			trans	-57.8	144.4	175.5	176.9	0	0	0	0	111.4	K108 L144 A145	K108-S142 VanDerWaalsContact O-CB 3.32Å; K108-S142 WeakPolarHBondContact O-CB 3.26Å; K108-S142 PolarHBondContact O-N 3.42Å; S142-L144 PolarHBondContact O-N 3.24Å; S142-L144 PolarHBondContact OG-N 2.81Å; S142-A145 VanDerWaalsContact O-CB 3.26Å; S142-A145 WeakPolarHBondContact O-CB 3.29Å; S142-A145 PolarHBondContact O-N 3.1Å
143	A	61.8	Low	69.4	Low	107 Å²	107	72.5 Å²	72.5	88%	0.884	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-5.8	173.5	0	0	0	0	0	113.9	A145	A143-A145 VanDerWaalsContact C-N 3.27Å
144	L	58.8	Low	68.4	Low	131 Å²	131	66.6 Å²	66.6	69%	0.686	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	3	168.4	-57.2	176.9	0	0	0	113.4	K108 S142	K108-L144 WeakPolarHBondContact CE-O 3.3Å; K108-L144 PolarHBondContact NZ-O 2.82Å; S142-L144 PolarHBondContact O-N 3.24Å; S142-L144 PolarHBondContact OG-N 2.81Å
145	A	59.4	Low	67.9	Low	21 Å²	21	64 Å²	64	17%	0.174	35%	0.349	C	S	.	.			trans	-80.7	111.4	166.7	0	0	0	0	0	109.9	M105 K108 S142 A143 F150	M105-A145 HydrophobicContact CE-CB 3.6Å; K108-A145 HydrophobicContact CD-CB 4.38Å; S142-A145 VanDerWaalsContact O-CB 3.26Å; S142-A145 WeakPolarHBondContact O-CB 3.29Å; S142-A145 PolarHBondContact O-N 3.1Å; A143-A145 VanDerWaalsContact C-N 3.27Å; A145-F150 HydrophobicContact CB-CE2 3.98Å; A145-F150 HydrophobicContact CB-CZ 4.13Å
146	T	57.1	Low	67.2	Low	73 Å²	73	65.4 Å²	65.4	45%	0.448	36%	0.359	S	S	.	.			trans	-91.1	161.6	179.2	66.7	0	0	0	0	110.6	E148 D149 F150	T146-E148 PolarHBondContact O-N 3.43Å; T146-E148 VanDerWaalsContact O-N 3.08Å; T146-E148 PolarHBondContact OG1-N 3.36Å; T146-D149 PolarHBondContact N-OD2 2.58Å; T146-D149 WeakPolarHBondContact O-CB 3.19Å; T146-D149 PolarHBondContact O-N 3.38Å; T146-D149 PolarHBondContact OG1-OD2 3.4Å; T146-F150 WeakPolarHBondContact O-CD2 3.34Å
147	V	51.1	Low	66.4	Low	130 Å²	130	64.1 Å²	64.1	79%	0.788	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.4	174.5	-177.8	0	0	0	0	112.1	D149 F150	V147-D149 VanDerWaalsContact C-N 3.33Å; V147-D149 PolarHBondContact O-N 3.13Å; V147-F150 PolarHBondContact O-N 2.78Å
148	E	48.1	Very low	65.1	Low	151 Å²	151	68 Å²	68	71%	0.706	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-24.2	176.1	-56.7	-173.6	179.3	0	0	113.5	T146 F150 Q151	T146-E148 PolarHBondContact O-N 3.43Å; T146-E148 VanDerWaalsContact O-N 3.08Å; T146-E148 PolarHBondContact OG1-N 3.36Å; E148-F150 VanDerWaalsContact C-N 3.3Å; E148-Q151 VanDerWaalsContact O-CG 3.29Å; E148-Q151 WeakPolarHBondContact O-CG 3.37Å
149	D	52.2	Low	63.6	Low	36 Å²	36	68 Å²	68	19%	0.193	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.5	171.2	-62.7	-82.1	0	0	0	111.8	K108 T146 V147 Q151	K108-D149 IonicContact NZ-OD1 3.49Å; K108-D149 PolarHBondContact NZ-OD1 2.91Å; K108-D149 IonicContact NZ-OD2 3.88Å; K108-D149 PolarHBondContact NZ-OD2 3.36Å; T146-D149 PolarHBondContact N-OD2 2.58Å; T146-D149 WeakPolarHBondContact O-CB 3.19Å; T146-D149 PolarHBondContact O-N 3.38Å; T146-D149 PolarHBondContact OG1-OD2 3.4Å; V147-D149 VanDerWaalsContact C-N 3.33Å; V147-D149 PolarHBondContact O-N 3.13Å; D149-Q151 PolarHBondContact O-N 2.93Å
150	F	52.7	Low	62.2	Low	88 Å²	88	69.1 Å²	69.1	39%	0.386	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	33.5	177.8	-57.7	-90.1	0	0	0	112.4	F102 M105 L141 A145 T146 V147 E148 I152	F102-F150 AromaticContact CE1-CD1 3.87Å; F102-F150 HydrophobicContact CE1-CD1 3.87Å; F102-F150 AromaticContact CE1-CE1 3.87Å; F102-F150 HydrophobicContact CE1-CE1 3.87Å; M105-F150 HydrophobicContact CE-CZ 4.48Å; L141-F150 HydrophobicContact CD1-CE1 3.78Å; L141-F150 HydrophobicContact CD1-CZ 3.81Å; A145-F150 HydrophobicContact CB-CE2 3.98Å; A145-F150 HydrophobicContact CB-CZ 4.13Å; T146-F150 WeakPolarHBondContact O-CD2 3.34Å; V147-F150 PolarHBondContact O-N 2.78Å; E148-F150 VanDerWaalsContact C-N 3.3Å; F150-I152 VanDerWaalsContact C-N 3.3Å; F150-I152 PolarHBondContact O-N 3.03Å
151	Q	51.5	Low	60.9	Low	108 Å²	108	69.4 Å²	69.4	51%	0.505	38%	0.378	S	S	.	.			trans	-64.9	84.7	178.7	-91.7	-178.4	30.7	0	0	112.9	E148 D149 R153	E148-Q151 VanDerWaalsContact O-CG 3.29Å; E148-Q151 WeakPolarHBondContact O-CG 3.37Å; D149-Q151 PolarHBondContact O-N 2.93Å; Q151-R153 PolarHBondContact O-N 3.43Å
152	I	53.2	Low	59.9	Low	102 Å²	102	67 Å²	67	52%	0.523	36%	0.364	S	S	.	.			trans	-44.2	110.4	147	-67	175	0	0	0	106.8	F150 P154 N202	F150-I152 VanDerWaalsContact C-N 3.3Å; F150-I152 PolarHBondContact O-N 3.03Å; I152-P154 WeakPolarHBondContact O-CD 3.47Å; I152-N202 HydrophobicContact CG2-CB 3.31Å
153	R	60.2	Low	58.4	Low	101 Å²	101	76.3 Å²	76.3	38%	0.381	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-100.1	91.8	-174	-166.7	173.6	-72.6	147.6	-0.8	109.4	Q151 N202 C204	Q151-R153 PolarHBondContact O-N 3.43Å; R153-N202 CarbonylContact C-O 3.2Å; R153-N202 PolarHBondContact N-O 3.42Å; R153-N202 VanDerWaalsContact N-O 3.1Å; R153-N202 CarbonylContact O-C 3.58Å; R153-C204 WeakPolarHBondContact CD-O 3.26Å; R153-C204 HydrophobicContact CG-CB 4.21Å; R153-C204 WeakPolarHBondContact O-CB 3.23Å; R153-C204 PolarHBondContact O-N 2.64Å
154	P	63.4	Low	57.7	Low	27 Å²	27	74.1 Å²	74.1	18%	0.175	38%	0.384	C	S	.	.			trans	-59.1	155.2	177.1	27.7	-36.3	0	0	0	110.7	I152 T156 N202 R611	I152-P154 WeakPolarHBondContact O-CD 3.47Å; P154-T156 PolarHBondContact O-N 3.09Å; P154-N202 HydrophobicContact CB-CB 4.35Å; P154-R611 HydrophobicContact CB-CG 4.48Å
155	H	72.3	Confident	57.2	Low	6 Å²	6	72.8 Å²	72.8	3%	0.028	38%	0.383	C	S	.	.			trans	-73.2	111.4	167	-70.7	-109.6	0	0	0	108.4	L157 C185 C188 Y192 P201 C204	H155-L157 HydrophobicContact CB-CD1 4.47Å; H155-L157 HydrophobicContact CB-CD2 4.02Å; H155-L157 HydrophobicContact CB-CG 4.01Å; H155-L157 WeakPolarHBondContact O-CG 3.22Å; H155-L157 PolarHBondContact O-N 3.31Å; H155-C185 HydrophobicContact CB-CB 4.29Å; H155-C188 PolarHBondContact CE1-SG 3.44Å; H155-C188 PolarHBondContact ND1-SG 2.97Å; H155-C188 VanDerWaalsContact ND1-SG 3.42Å; H155-Y192 AromaticContact CE1-CZ 3.96Å; H155-Y192 PolarHBondContact CE1-OH 3.04Å; H155-Y192 AromaticContact ND1-CE2 3.81Å; H155-Y192 AromaticContact ND1-CZ 3.88Å; H155-Y192 PolarHBondContact ND1-OH 3.01Å; H155-P201 PolarHBondContact CD2-O 2.63Å; H155-C204 WeakPolarHBondContact NE2-CA 3.47Å
156	T	73.1	Confident	56.9	Low	56 Å²	56	73.3 Å²	73.3	34%	0.344	38%	0.384	S	S	.	.			trans	-68.7	107.8	166	-47.5	0	0	0	0	108	P154 C185 E186	P154-T156 PolarHBondContact O-N 3.09Å; T156-C185 WeakPolarHBondContact O-CA 3.36Å; T156-E186 PolarHBondContact O-N 3.28Å
157	L	72.1	Confident	57.4	Low	5 Å²	5	75 Å²	75	3%	0.026	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132	-170.1	-70.2	173.7	0	0	0	111.4	H155 L183 K184 C185 Y192 A197 I200 R611 F612	H155-L157 HydrophobicContact CB-CD1 4.47Å; H155-L157 HydrophobicContact CB-CD2 4.02Å; H155-L157 HydrophobicContact CB-CG 4.01Å; H155-L157 WeakPolarHBondContact O-CG 3.22Å; H155-L157 PolarHBondContact O-N 3.31Å; L157-L183 HydrophobicContact CB-CB 4.16Å; L157-L183 HydrophobicContact CB-CD1 4.06Å; L157-L183 HydrophobicContact CD1-CB 4.45Å; L157-L183 HydrophobicContact CD1-CD1 3.76Å; L157-L183 HydrophobicContact CD2-CB 4.09Å; L157-L183 HydrophobicContact CG-CB 4.45Å; L157-L183 HydrophobicContact CG-CD1 4.41Å; L157-K184 WeakPolarHBondContact CA-O 3.27Å; L157-C185 HydrophobicContact CD2-CB 3.95Å; L157-Y192 HydrophobicContact CD2-CD2 3.71Å; L157-Y192 HydrophobicContact CD2-CE2 4.14Å; L157-A197 HydrophobicContact CD1-CB 3.99Å; L157-I200 HydrophobicContact CD1-CD1 3.97Å; L157-R611 PolarHBondContact N-O 2.83Å; L157-R611 VanDerWaalsContact N-O 3.17Å; L157-F612 HydrophobicContact CB-CE1 4.07Å; L157-F612 VanDerWaalsContact O-CD1 3.26Å; L157-F612 WeakPolarHBondContact O-CD1 3.47Å; L157-F612 WeakPolarHBondContact O-CE1 3.42Å
158	Y	62.1	Low	58.4	Low	82 Å²	82	69 Å²	69	32%	0.322	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.2	169.7	65.4	-84.3	0	0	0	110.8	H160 L183 K184 E186	Y158-H160 HydrophobicContact CD2-CB 4.45Å; Y158-H160 HydrophobicContact CE2-CB 4.15Å; Y158-H160 AromaticContact CE2-CD2 3.89Å; Y158-H160 PolarHBondContact O-N 3.44Å; Y158-L183 CarbonylContact O-C 3.11Å; Y158-L183 VanDerWaalsContact O-CA 3.28Å; Y158-L183 WeakPolarHBondContact O-CA 3.44Å; Y158-K184 WeakPolarHBondContact CD1-O 3.28Å; Y158-K184 HydrophobicContact CE1-CB 4.09Å; Y158-K184 HydrophobicContact CE1-CG 4.49Å; Y158-K184 WeakPolarHBondContact CE1-O 3.29Å; Y158-K184 HydrophobicContact CE2-CB 4.23Å; Y158-K184 PolarHBondContact N-O 2.93Å; Y158-K184 PolarHBondContact O-N 2.82Å; Y158-E186 HydrophobicContact CD1-CB 4.35Å; Y158-E186 HydrophobicContact CE1-CB 4.19Å
159	V	60.2	Low	60	Low	38 Å²	38	65.5 Å²	65.5	23%	0.23	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	126	176.3	-176.1	0	0	0	0	109.5	R180 L183 Q586	V159-R180 HydrophobicContact CG1-CB 3.47Å; V159-R180 VanDerWaalsContact CG1-CB 3.47Å; V159-R180 HydrophobicContact CG1-CG 3.62Å; V159-L183 HydrophobicContact CB-CD2 4.28Å; V159-L183 HydrophobicContact CG2-CD2 3.64Å; V159-Q586 HydrophobicContact CG2-CB 4.45Å; V159-Q586 HydrophobicContact CG2-CG 3.94Å
160	H	59.1	Low	61.1	Low	42 Å²	42	68.9 Å²	68.9	19%	0.194	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142	-175.5	-178.5	-77.7	0	0	0	111.1	Y158 Y162 R180 G182 K184	Y158-H160 HydrophobicContact CD2-CB 4.45Å; Y158-H160 HydrophobicContact CE2-CB 4.15Å; Y158-H160 AromaticContact CE2-CD2 3.89Å; Y158-H160 PolarHBondContact O-N 3.44Å; H160-Y162 HydrophobicContact CB-CE2 3.83Å; H160-Y162 AromaticContact CE1-CD1 3.6Å; H160-Y162 AromaticContact CE1-CE1 3.57Å; H160-Y162 AromaticContact CE1-CZ 3.98Å; H160-Y162 AromaticContact CG-CE2 3.9Å; H160-Y162 AromaticContact CG-CZ 3.77Å; H160-Y162 AromaticContact ND1-CD1 3.42Å; H160-Y162 WeakPolarHBondContact ND1-CD1 3.48Å; H160-Y162 AromaticContact ND1-CD2 3.48Å; H160-Y162 WeakPolarHBondContact ND1-CD2 3.48Å; H160-Y162 AromaticContact ND1-CE1 3.25Å; H160-Y162 WeakPolarHBondContact ND1-CE1 3.45Å; H160-Y162 AromaticContact ND1-CE2 3.3Å; H160-Y162 VanDerWaalsContact ND1-CE2 3.3Å; H160-Y162 WeakPolarHBondContact ND1-CE2 3.36Å; H160-Y162 AromaticContact ND1-CG 3.55Å; H160-Y162 AromaticContact ND1-CZ 3.2Å; H160-Y162 WeakPolarHBondContact O-CD2 3.45Å; H160-Y162 WeakPolarHBondContact O-CE2 3.06Å; H160-R180 WeakPolarHBondContact O-CA 3.42Å; H160-G182 PolarHBondContact N-O 3.17Å; H160-K184 HydrophobicContact CB-CB 3.68Å; H160-K184 HydrophobicContact CB-CD 4.32Å; H160-K184 WeakPolarHBondContact CD2-CD 3.13Å; H160-K184 PolarHBondContact NE2-NZ 3.26Å
161	S	55.6	Low	61.6	Low	58 Å²	58	67.1 Å²	67.1	41%	0.406	34%	0.344	S	S	.	.			trans	-102.2	120.8	177.1	-55.8	0	0	0	0	109.8	V179 R180	S161-V179 WeakPolarHBondContact OG-CG1 3.42Å; S161-R180 PolarHBondContact OG-N 2.69Å
162	Y	56.1	Low	61.8	Low	19 Å²	19	64.7 Å²	64.7	8%	0.075	35%	0.347	C	S	.	.			trans	-99.8	124.5	-174.9	-64	-90	0	0	0	109.9	H160 A164 T166 L175 Q181 L183 N191	H160-Y162 HydrophobicContact CB-CE2 3.83Å; H160-Y162 AromaticContact CE1-CD1 3.6Å; H160-Y162 AromaticContact CE1-CE1 3.57Å; H160-Y162 AromaticContact CE1-CZ 3.98Å; H160-Y162 AromaticContact CG-CE2 3.9Å; H160-Y162 AromaticContact CG-CZ 3.77Å; H160-Y162 AromaticContact ND1-CD1 3.42Å; H160-Y162 WeakPolarHBondContact ND1-CD1 3.48Å; H160-Y162 AromaticContact ND1-CD2 3.48Å; H160-Y162 WeakPolarHBondContact ND1-CD2 3.48Å; H160-Y162 AromaticContact ND1-CE1 3.25Å; H160-Y162 WeakPolarHBondContact ND1-CE1 3.45Å; H160-Y162 AromaticContact ND1-CE2 3.3Å; H160-Y162 VanDerWaalsContact ND1-CE2 3.3Å; H160-Y162 WeakPolarHBondContact ND1-CE2 3.36Å; H160-Y162 AromaticContact ND1-CG 3.55Å; H160-Y162 AromaticContact ND1-CZ 3.2Å; H160-Y162 WeakPolarHBondContact O-CD2 3.45Å; H160-Y162 WeakPolarHBondContact O-CE2 3.06Å; Y162-A164 PolarHBondContact O-N 2.9Å; Y162-T166 HydrophobicContact CD1-CG2 3.61Å; Y162-T166 VanDerWaalsContact CD1-OG1 3.25Å; Y162-T166 WeakPolarHBondContact CD1-OG1 3.31Å; Y162-T166 HydrophobicContact CE1-CG2 3.63Å; Y162-T166 HydrophobicContact CG-CG2 4.33Å; Y162-L175 HydrophobicContact CD2-CD1 3.99Å; Y162-L175 HydrophobicContact CE1-CD1 4.41Å; Y162-L175 HydrophobicContact CE2-CD1 3.6Å; Y162-Q181 HydrophobicContact CD2-CB 4.29Å; Y162-Q181 PolarHBondContact O-NE2 3.36Å; Y162-L183 PolarHBondContact OH-O 3.41Å; Y162-N191 HydrophobicContact CE1-CB 4.3Å; Y162-N191 WeakPolarHBondContact CE1-OD1 3.35Å; Y162-N191 WeakPolarHBondContact OH-CB 3.45Å; Y162-N191 PolarHBondContact OH-OD1 3.32Å
163	K	46.8	Very low	61.7	Low	221 Å²	221	64 Å²	64	96%	0.961	34%	0.342	S	S	*	.	S	Bend	trans	-81.6	5.9	176.7	-63.5	-165.5	174.3	-162.4	0	113.8
164	A	46.5	Very low	61.1	Low	62 Å²	62	61.4 Å²	61.4	51%	0.512	34%	0.335	S	S	.	.	S	Bend	trans	-155.7	153.6	-177.2	0	0	0	0	0	110.2	Y162 T166	Y162-A164 PolarHBondContact O-N 2.9Å; A164-T166 PolarHBondContact O-N 3.43Å; A164-T166 PolarHBondContact O-OG1 2.85Å
165	P	49.3	Very low	60.3	Low	103 Å²	103	60.4 Å²	60.4	67%	0.669	33%	0.328	S	S	*	.			trans	-49.3	106.5	174.8	-30.4	37.6	0	0	0	112.5	M174	P165-M174 HydrophobicContact CB-SD 3.85Å
166	T	51.9	Low	59	Low	32 Å²	32	64.8 Å²	64.8	20%	0.196	34%	0.344	C	S	.	.			trans	-118.5	149.7	-177.2	-55.8	0	0	0	0	109.3	Y162 A164 M174 L175 N191	Y162-T166 HydrophobicContact CD1-CG2 3.61Å; Y162-T166 VanDerWaalsContact CD1-OG1 3.25Å; Y162-T166 WeakPolarHBondContact CD1-OG1 3.31Å; Y162-T166 HydrophobicContact CE1-CG2 3.63Å; Y162-T166 HydrophobicContact CG-CG2 4.33Å; A164-T166 PolarHBondContact O-N 3.43Å; A164-T166 PolarHBondContact O-OG1 2.85Å; T166-M174 WeakPolarHBondContact O-CG 3.5Å; T166-L175 HydrophobicContact CG2-CD1 3.94Å; T166-L175 WeakPolarHBondContact O-CB 3.36Å; T166-L175 WeakPolarHBondContact O-CG 3.48Å; T166-L175 PolarHBondContact O-N 3.06Å; T166-N191 HydrophobicContact CG2-CB 4.16Å
167	F	67.8	Low	57.5	Low	109 Å²	109	63.4 Å²	63.4	48%	0.478	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-114.8	154.4	-172.6	-64.8	-99.3	0	0	0	111.4	D169 G172 M174	F167-D169 PolarHBondContact O-N 2.86Å; F167-G172 WeakPolarHBondContact CD1-O 3.36Å; F167-M174 HydrophobicContact CD1-CB 3.83Å; F167-M174 HydrophobicContact CD1-CG 4.09Å; F167-M174 HydrophobicContact CE1-CB 3.63Å; F167-M174 HydrophobicContact CE1-CG 3.78Å; F167-M174 HydrophobicContact CE1-SD 4.29Å; F167-M174 HydrophobicContact CE2-CG 4.22Å; F167-M174 HydrophobicContact CG-CG 4.44Å; F167-M174 HydrophobicContact CZ-CB 4.21Å; F167-M174 HydrophobicContact CZ-CG 3.84Å; F167-M174 HydrophobicContact CZ-SD 3.94Å
168	C	73.1	Confident	55.8	Low	2 Å²	2	65.4 Å²	65.4	1%	0.014	35%	0.352	C	S	.	.			trans	-78	113.8	175	176.9	0	0	0	0	110.2	Y170 C171 G172 E173 L175 N191 H193	C168-Y170 PolarHBondContact O-N 2.9Å; C168-C171 PolarHBondContact O-N 3.12Å; C168-G172 WeakPolarHBondContact O-CA 3.38Å; C168-G172 PolarHBondContact O-N 2.95Å; C168-E173 WeakPolarHBondContact CB-O 3.3Å; C168-E173 PolarHBondContact N-O 2.94Å; C168-L175 HydrophobicContact CB-CD2 3.9Å; C168-N191 CarbonylContact C-O 3.56Å; C168-N191 WeakPolarHBondContact CA-O 3.2Å; C168-H193 VanDerWaalsContact CB-CE1 3.45Å; C168-H193 WeakPolarHBondContact CB-CE1 3.39Å; C168-H193 VanDerWaalsContact CB-ND1 3.34Å; C168-H193 WeakPolarHBondContact CB-ND1 3.42Å; C168-H193 PolarHBondContact SG-N 2.56Å; C168-H193 VanDerWaalsContact SG-N 3.41Å
169	D	80.8	Confident	54.8	Low	78 Å²	78	63.3 Å²	63.3	42%	0.417	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-5.9	178.6	-69	-66.5	0	0	0	113.6	F167 L190 N191 Y192	F167-D169 PolarHBondContact O-N 2.86Å; D169-L190 HydrophobicContact CB-CB 4.16Å; D169-L190 HydrophobicContact CB-CD2 4.32Å; D169-N191 PolarHBondContact N-O 3.42Å; D169-N191 WeakPolarHBondContact OD2-CB 3.18Å; D169-N191 PolarHBondContact OD2-N 3.22Å; D169-N191 PolarHBondContact OD2-ND2 3.01Å; D169-Y192 HydrophobicContact CB-CE1 4.26Å
170	Y	75.1	Confident	54.3	Low	108 Å²	108	64 Å²	64	42%	0.424	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-39.9	173.1	174	-94	0	0	0	114	C168 C196 K199 I200	C168-Y170 PolarHBondContact O-N 2.9Å; Y170-C196 HydrophobicContact CD1-CB 3.86Å; Y170-K199 HydrophobicContact CE1-CB 4.01Å; Y170-K199 HydrophobicContact CE2-CB 4.46Å; Y170-K199 WeakPolarHBondContact CE2-O 3.34Å; Y170-K199 WeakPolarHBondContact OH-CB 3.46Å; Y170-K199 PolarHBondContact OH-O 3.36Å; Y170-I200 HydrophobicContact CD2-CG1 4.47Å
171	C	63.6	Low	54	Low	51 Å²	51	63 Å²	63	35%	0.345	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	0.4	-173.9	81.3	0	0	0	0	115.5	C168 E173 H193	C168-C171 PolarHBondContact O-N 3.12Å; C171-E173 PolarHBondContact O-N 2.99Å; C171-H193 PolarHBondContact SG-ND1 3.48Å; C171-H193 VanDerWaalsContact SG-ND1 3.41Å
172	G	55	Low	54.4	Low	56 Å²	56	60.3 Å²	60.3	58%	0.577	32%	0.322	S	S	*	.			trans	70.5	-12.3	178.1	0	0	0	0	0	116.2	F167 C168	F167-G172 WeakPolarHBondContact CD1-O 3.36Å; C168-G172 WeakPolarHBondContact O-CA 3.38Å; C168-G172 PolarHBondContact O-N 2.95Å
173	E	51.5	Low	55.2	Low	88 Å²	88	59.5 Å²	59.5	41%	0.411	32%	0.319	S	S	.	.			trans	-76.1	150.3	175.4	-65.5	-170.1	162	0	0	111.8	C168 C171 H193 R195	C168-E173 WeakPolarHBondContact CB-O 3.3Å; C168-E173 PolarHBondContact N-O 2.94Å; C171-E173 PolarHBondContact O-N 2.99Å; E173-H193 PolarHBondContact O-CE1 2.86Å; E173-H193 VanDerWaalsContact O-CE1 3.29Å; E173-R195 IonicContact OE2-CZ 3.48Å; E173-R195 IonicContact OE2-NH1 2.8Å; E173-R195 PolarHBondContact OE2-NH1 3.47Å; E173-R195 IonicContact OE2-NH2 2.64Å; E173-R195 PolarHBondContact OE2-NH2 3.15Å
174	M	47.1	Very low	56.8	Low	46 Å²	46	51.3 Å²	51.3	23%	0.227	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-65.7	145.6	-179.6	-155.4	172.4	79	0	0	112.3	P165 T166 F167 W176 H193	P165-M174 HydrophobicContact CB-SD 3.85Å; T166-M174 WeakPolarHBondContact O-CG 3.5Å; F167-M174 HydrophobicContact CD1-CB 3.83Å; F167-M174 HydrophobicContact CD1-CG 4.09Å; F167-M174 HydrophobicContact CE1-CB 3.63Å; F167-M174 HydrophobicContact CE1-CG 3.78Å; F167-M174 HydrophobicContact CE1-SD 4.29Å; F167-M174 HydrophobicContact CE2-CG 4.22Å; F167-M174 HydrophobicContact CG-CG 4.44Å; F167-M174 HydrophobicContact CZ-CB 4.21Å; F167-M174 HydrophobicContact CZ-CG 3.84Å; F167-M174 HydrophobicContact CZ-SD 3.94Å; M174-W176 HydrophobicContact CB-CZ2 4.1Å; M174-W176 HydrophobicContact CE-CD2 3.95Å; M174-W176 HydrophobicContact CE-CE3 3.53Å; M174-W176 HydrophobicContact CE-CH2 3.74Å; M174-W176 HydrophobicContact CE-CZ2 4.13Å; M174-W176 HydrophobicContact CE-CZ3 3.43Å; M174-W176 VanDerWaalsContact CE-CZ3 3.43Å; M174-W176 PolarHBondContact O-N 2.89Å; M174-W176 PolarHBondContact O-NE1 3.13Å; M174-W176 VanDerWaalsContact O-NE1 3.12Å; M174-H193 PolarHBondContact O-CE1 3.49Å; M174-H193 PolarHBondContact O-NE2 2.88Å
175	L	48.5	Very low	58.5	Low	7 Å²	7	48.4 Å²	48.4	4%	0.037	26%	0.259	C	S	.	.			trans	-77.8	105.7	170	-55.4	178.5	0	0	0	108.1	Y162 T166 C168 Q181 N191 H193	Y162-L175 HydrophobicContact CD2-CD1 3.99Å; Y162-L175 HydrophobicContact CE1-CD1 4.41Å; Y162-L175 HydrophobicContact CE2-CD1 3.6Å; T166-L175 HydrophobicContact CG2-CD1 3.94Å; T166-L175 WeakPolarHBondContact O-CB 3.36Å; T166-L175 WeakPolarHBondContact O-CG 3.48Å; T166-L175 PolarHBondContact O-N 3.06Å; C168-L175 HydrophobicContact CB-CD2 3.9Å; L175-Q181 HydrophobicContact CB-CB 3.8Å; L175-N191 HydrophobicContact CD1-CB 4.12Å; L175-H193 HydrophobicContact CD2-CB 4.47Å; L175-H193 VanDerWaalsContact CD2-CD2 3.48Å; L175-H193 WeakPolarHBondContact CD2-CD2 3.44Å
176	W	45	Very low	59.7	Low	97 Å²	97	49.8 Å²	49.8	37%	0.367	26%	0.257	S	S	.	.			trans	-88.1	163.3	-175.9	-57	92.4	0	0	0	112.6	M174 Q181	M174-W176 HydrophobicContact CB-CZ2 4.1Å; M174-W176 HydrophobicContact CE-CD2 3.95Å; M174-W176 HydrophobicContact CE-CE3 3.53Å; M174-W176 HydrophobicContact CE-CH2 3.74Å; M174-W176 HydrophobicContact CE-CZ2 4.13Å; M174-W176 HydrophobicContact CE-CZ3 3.43Å; M174-W176 VanDerWaalsContact CE-CZ3 3.43Å; M174-W176 PolarHBondContact O-N 2.89Å; M174-W176 PolarHBondContact O-NE1 3.13Å; M174-W176 VanDerWaalsContact O-NE1 3.12Å; W176-Q181 WeakPolarHBondContact O-CA 3.48Å; W176-Q181 VanDerWaalsContact O-CB 3.27Å; W176-Q181 WeakPolarHBondContact O-CB 3.32Å; W176-Q181 VanDerWaalsContact O-CG 3.31Å; W176-Q181 WeakPolarHBondContact O-CG 3.15Å
177	G	40.4	Very low	60.8	Low	27 Å²	27	49.4 Å²	49.4	28%	0.278	26%	0.26	S	S	.	.	S	Bend	trans	98.2	166.6	-176.7	0	0	0	0	0	113.4	Q181 V403	G177-Q181 WeakPolarHBondContact O-CG 3.19Å; G177-Q181 PolarHBondContact O-NE2 2.7Å; G177-V403 WeakPolarHBondContact CA-O 3.21Å; G177-V403 PolarHBondContact N-O 2.91Å
178	L	36.9	Very low	61.3	Low	48 Å²	48	44.3 Å²	44.3	25%	0.251	24%	0.238	S	C	.	.	S	Bend	trans	-84.4	-31.3	-173.7	-46.9	-172.7	0	0	0	112.3	Q181 V403 A741 F774 E778	L178-Q181 PolarHBondContact O-NE2 2.95Å; L178-V403 HydrophobicContact CD1-CG1 4.24Å; L178-V403 HydrophobicContact CD2-CB 4.33Å; L178-V403 HydrophobicContact CD2-CG1 3.66Å; L178-V403 HydrophobicContact CD2-CG2 4.08Å; L178-V403 HydrophobicContact CG-CG1 3.73Å; L178-A741 HydrophobicContact CD1-CB 4.42Å; L178-F774 HydrophobicContact CD1-CD2 4.32Å; L178-F774 HydrophobicContact CD1-CE2 4.14Å; L178-F774 HydrophobicContact CD1-CZ 4.45Å; L178-E778 HydrophobicContact CD1-CG 4.48Å; L178-E778 WeakPolarHBondContact CD1-OE1 3.31Å; L178-E778 WeakPolarHBondContact CD2-OE1 3.45Å; L178-E778 WeakPolarHBondContact CD2-OE2 3.28Å
179	V	40.8	Very low	61.6	Low	37 Å²	37	45.1 Å²	45.1	22%	0.224	25%	0.246	C	C	.	.	S	Bend	trans	-149.2	153.7	-174.2	-159.9	0	0	0	0	109.2	S161 Q181 P740	S161-V179 WeakPolarHBondContact OG-CG1 3.42Å; V179-Q181 PolarHBondContact O-N 3.09Å; V179-Q181 VanDerWaalsContact O-N 3.13Å; V179-P740 HydrophobicContact CB-CG 4.33Å; V179-P740 HydrophobicContact CG1-CG 3.83Å; V179-P740 HydrophobicContact CG2-CB 3.93Å; V179-P740 HydrophobicContact CG2-CG 3.83Å
180	R	50.5	Low	61.9	Low	52 Å²	52	44.1 Å²	44.1	20%	0.196	24%	0.24	C	C	.	.	S	Bend	trans	53.6	34	178.1	-65	176.6	173.2	172.6	-8.8	112.8	V159 H160 S161 G182 K194 F723 G738	V159-R180 HydrophobicContact CG1-CB 3.47Å; V159-R180 VanDerWaalsContact CG1-CB 3.47Å; V159-R180 HydrophobicContact CG1-CG 3.62Å; H160-R180 WeakPolarHBondContact O-CA 3.42Å; S161-R180 PolarHBondContact OG-N 2.69Å; R180-G182 PolarHBondContact O-N 2.8Å; R180-K194 WeakPolarHBondContact O-CE 3.28Å; R180-K194 PolarHBondContact O-NZ 3.47Å; R180-F723 VanDerWaalsContact CZ-CZ 3.4Å; R180-G738 PolarHBondContact NH1-O 2.87Å; R180-G738 VanDerWaalsContact NH1-O 3.09Å; R180-G738 PolarHBondContact NH2-O 3.37Å
181	Q	52.9	Low	62.2	Low	23 Å²	23	40.1 Å²	40.1	11%	0.107	23%	0.227	C	C	.	.			trans	-63.1	-24.6	-171.4	-59.9	94.6	-27.4	0	0	113.7	Y162 L175 W176 G177 L178 V179	Y162-Q181 HydrophobicContact CD2-CB 4.29Å; Y162-Q181 PolarHBondContact O-NE2 3.36Å; L175-Q181 HydrophobicContact CB-CB 3.8Å; W176-Q181 WeakPolarHBondContact O-CA 3.48Å; W176-Q181 VanDerWaalsContact O-CB 3.27Å; W176-Q181 WeakPolarHBondContact O-CB 3.32Å; W176-Q181 VanDerWaalsContact O-CG 3.31Å; W176-Q181 WeakPolarHBondContact O-CG 3.15Å; G177-Q181 WeakPolarHBondContact O-CG 3.19Å; G177-Q181 PolarHBondContact O-NE2 2.7Å; L178-Q181 PolarHBondContact O-NE2 2.95Å; V179-Q181 PolarHBondContact O-N 3.09Å; V179-Q181 VanDerWaalsContact O-N 3.13Å
182	G	64.1	Low	62.9	Low	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	-175.4	-178.1	0	0	0	0	0	112.7	H160 R180 Y192	H160-G182 PolarHBondContact N-O 3.17Å; R180-G182 PolarHBondContact O-N 2.8Å; G182-Y192 CarbonylContact C-O 3.34Å; G182-Y192 WeakPolarHBondContact CA-O 3.3Å
183	L	72.1	Confident	63.4	Low	2 Å²	2	36 Å²	36	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	148.3	171.8	-55.2	179.1	0	0	0	109	L157 Y158 V159 Y162 N191 Y192 K194 A197 F612	L157-L183 HydrophobicContact CB-CB 4.16Å; L157-L183 HydrophobicContact CB-CD1 4.06Å; L157-L183 HydrophobicContact CD1-CB 4.45Å; L157-L183 HydrophobicContact CD1-CD1 3.76Å; L157-L183 HydrophobicContact CD2-CB 4.09Å; L157-L183 HydrophobicContact CG-CB 4.45Å; L157-L183 HydrophobicContact CG-CD1 4.41Å; Y158-L183 CarbonylContact O-C 3.11Å; Y158-L183 VanDerWaalsContact O-CA 3.28Å; Y158-L183 WeakPolarHBondContact O-CA 3.44Å; V159-L183 HydrophobicContact CB-CD2 4.28Å; V159-L183 HydrophobicContact CG2-CD2 3.64Å; Y162-L183 PolarHBondContact OH-O 3.41Å; L183-N191 CarbonylContact O-C 3.58Å; L183-N191 WeakPolarHBondContact O-CA 3.39Å; L183-Y192 PolarHBondContact N-O 3.14Å; L183-Y192 PolarHBondContact O-N 2.88Å; L183-K194 HydrophobicContact CD2-CG 4.19Å; L183-K194 HydrophobicContact CG-CG 4.19Å; L183-A197 HydrophobicContact CD1-CB 3.46Å; L183-A197 VanDerWaalsContact CD1-CB 3.46Å; L183-F612 HydrophobicContact CD1-CE1 4.28Å; L183-F612 HydrophobicContact CD1-CZ 4.08Å; L183-F612 HydrophobicContact CD2-CE1 4.45Å
184	K	79.8	Confident	63.8	Low	49 Å²	49	34.2 Å²	34.2	21%	0.213	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.2	171.2	-163.5	163.6	-174.8	168.7	0	109.3	L157 Y158 H160 L190	L157-K184 WeakPolarHBondContact CA-O 3.27Å; Y158-K184 WeakPolarHBondContact CD1-O 3.28Å; Y158-K184 HydrophobicContact CE1-CB 4.09Å; Y158-K184 HydrophobicContact CE1-CG 4.49Å; Y158-K184 WeakPolarHBondContact CE1-O 3.29Å; Y158-K184 HydrophobicContact CE2-CB 4.23Å; Y158-K184 PolarHBondContact N-O 2.93Å; Y158-K184 PolarHBondContact O-N 2.82Å; H160-K184 HydrophobicContact CB-CB 3.68Å; H160-K184 HydrophobicContact CB-CD 4.32Å; H160-K184 WeakPolarHBondContact CD2-CD 3.13Å; H160-K184 PolarHBondContact NE2-NZ 3.26Å; K184-L190 WeakPolarHBondContact CA-O 3.45Å
185	C	82.4	Confident	64.4	Low	1 Å²	1	36.1 Å²	36.1	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.5	173.8	-175.9	0	0	0	0	110.4	H155 T156 L157 C188 G189 L190 Y192 C204	H155-C185 HydrophobicContact CB-CB 4.29Å; T156-C185 WeakPolarHBondContact O-CA 3.36Å; L157-C185 HydrophobicContact CD2-CB 3.95Å; C185-C188 VanDerWaalsContact CB-SG 3.51Å; C185-C188 VanDerWaalsContact SG-SG 3.63Å; C185-G189 VanDerWaalsContact O-CA 3.24Å; C185-G189 WeakPolarHBondContact O-CA 3.38Å; C185-G189 PolarHBondContact O-N 3.44Å; C185-G189 VanDerWaalsContact O-N 3.16Å; C185-L190 PolarHBondContact N-O 3.18Å; C185-Y192 HydrophobicContact CB-CE2 4.23Å; C185-C204 PolarHBondContact SG-SG 2.86Å
186	E	75.4	Confident	65.1	Low	132 Å²	132	36.3 Å²	36.3	62%	0.617	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-43.9	178.7	-173.2	163.9	-146.9	0	0	112.3	T156 Y158	T156-E186 PolarHBondContact O-N 3.28Å; Y158-E186 HydrophobicContact CD1-CB 4.35Å; Y158-E186 HydrophobicContact CE1-CB 4.19Å
187	G	75.2	Confident	66.1	Low	25 Å²	25	31.8 Å²	31.8	26%	0.258	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-75	178.8	0	0	0	0	0	113.3	G189 G206 R208	G187-G189 VanDerWaalsContact C-N 3.29Å; G187-G189 PolarHBondContact O-N 3Å; G187-G206 CarbonylContact C-O 3.57Å; G187-R208 WeakPolarHBondContact O-CA 3.48Å; G187-R208 PolarHBondContact O-N 3.31Å
188	C	77	Confident	67	Low	2 Å²	2	31.7 Å²	31.7	1%	0.014	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.1	-173.6	66.9	0	0	0	0	114.7	H155 C185 L190 C204 S205	H155-C188 PolarHBondContact CE1-SG 3.44Å; H155-C188 PolarHBondContact ND1-SG 2.97Å; H155-C188 VanDerWaalsContact ND1-SG 3.42Å; C185-C188 VanDerWaalsContact CB-SG 3.51Å; C185-C188 VanDerWaalsContact SG-SG 3.63Å; C188-L190 VanDerWaalsContact C-N 3.27Å; C188-L190 HydrophobicContact CB-CD1 4.49Å; C188-L190 HydrophobicContact CB-CG 4.29Å; C188-L190 PolarHBondContact O-N 3.21Å; C188-C204 VanDerWaalsContact SG-SG 3.69Å; C188-S205 WeakPolarHBondContact CB-OG 3.44Å
189	G	80.5	Confident	68.3	Low	18 Å²	18	35 Å²	35	19%	0.186	17%	0.172	C	C	.	.			trans	78.5	-0.4	-179.1	0	0	0	0	0	116	C185 G187	C185-G189 VanDerWaalsContact O-CA 3.24Å; C185-G189 WeakPolarHBondContact O-CA 3.38Å; C185-G189 PolarHBondContact O-N 3.44Å; C185-G189 VanDerWaalsContact O-N 3.16Å; G187-G189 VanDerWaalsContact C-N 3.29Å; G187-G189 PolarHBondContact O-N 3Å
190	L	85.4	Confident	69.5	Low	57 Å²	57	33.6 Å²	33.6	30%	0.298	16%	0.163	S	C	.	.			trans	-71.9	162	179.6	-60.7	178.6	0	0	0	112.7	D169 K184 C185 C188 Y192	D169-L190 HydrophobicContact CB-CB 4.16Å; D169-L190 HydrophobicContact CB-CD2 4.32Å; K184-L190 WeakPolarHBondContact CA-O 3.45Å; C185-L190 PolarHBondContact N-O 3.18Å; C188-L190 VanDerWaalsContact C-N 3.27Å; C188-L190 HydrophobicContact CB-CD1 4.49Å; C188-L190 HydrophobicContact CB-CG 4.29Å; C188-L190 PolarHBondContact O-N 3.21Å; L190-Y192 HydrophobicContact CB-CE2 3.73Å; L190-Y192 WeakPolarHBondContact CB-OH 3.26Å; L190-Y192 WeakPolarHBondContact CD1-OH 3.45Å
191	N	82	Confident	70.2	Confident	25 Å²	25	33.4 Å²	33.4	13%	0.134	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.3	-161.9	-44.9	-85.3	0	0	0	110.3	Y162 T166 C168 D169 L175 L183	Y162-N191 HydrophobicContact CE1-CB 4.3Å; Y162-N191 WeakPolarHBondContact CE1-OD1 3.35Å; Y162-N191 WeakPolarHBondContact OH-CB 3.45Å; Y162-N191 PolarHBondContact OH-OD1 3.32Å; T166-N191 HydrophobicContact CG2-CB 4.16Å; C168-N191 CarbonylContact C-O 3.56Å; C168-N191 WeakPolarHBondContact CA-O 3.2Å; D169-N191 PolarHBondContact N-O 3.42Å; D169-N191 WeakPolarHBondContact OD2-CB 3.18Å; D169-N191 PolarHBondContact OD2-N 3.22Å; D169-N191 PolarHBondContact OD2-ND2 3.01Å; L175-N191 HydrophobicContact CD1-CB 4.12Å; L183-N191 CarbonylContact O-C 3.58Å; L183-N191 WeakPolarHBondContact O-CA 3.39Å
192	Y	77.9	Confident	70.6	Confident	9 Å²	9	34.6 Å²	34.6	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	147.3	-168.4	-55.5	-81.6	0	0	0	112.6	H155 L157 D169 G182 L183 C185 L190 I200	H155-Y192 AromaticContact CE1-CZ 3.96Å; H155-Y192 PolarHBondContact CE1-OH 3.04Å; H155-Y192 AromaticContact ND1-CE2 3.81Å; H155-Y192 AromaticContact ND1-CZ 3.88Å; H155-Y192 PolarHBondContact ND1-OH 3.01Å; L157-Y192 HydrophobicContact CD2-CD2 3.71Å; L157-Y192 HydrophobicContact CD2-CE2 4.14Å; D169-Y192 HydrophobicContact CB-CE1 4.26Å; G182-Y192 CarbonylContact C-O 3.34Å; G182-Y192 WeakPolarHBondContact CA-O 3.3Å; L183-Y192 PolarHBondContact N-O 3.14Å; L183-Y192 PolarHBondContact O-N 2.88Å; C185-Y192 HydrophobicContact CB-CE2 4.23Å; L190-Y192 HydrophobicContact CB-CE2 3.73Å; L190-Y192 WeakPolarHBondContact CB-OH 3.26Å; L190-Y192 WeakPolarHBondContact CD1-OH 3.45Å; Y192-I200 HydrophobicContact CD1-CD1 3.38Å; Y192-I200 HydrophobicContact CD1-CG1 3.86Å; Y192-I200 HydrophobicContact CD2-CD1 3.74Å; Y192-I200 HydrophobicContact CE1-CD1 3.74Å; Y192-I200 HydrophobicContact CE1-CG1 4.07Å; Y192-I200 HydrophobicContact CE1-CG2 4.11Å; Y192-I200 HydrophobicContact CE2-CD1 4.07Å; Y192-I200 HydrophobicContact CG-CD1 3.37Å; Y192-I200 HydrophobicContact CG-CG1 4.32Å
193	H	65.4	Low	70.7	Confident	12 Å²	12	38.7 Å²	38.7	6%	0.056	20%	0.197	C	C	.	.			trans	-66.4	147.8	164.9	-64.2	110.8	0	0	0	110.2	C168 C171 E173 M174 L175 R195 C196 A197	C168-H193 VanDerWaalsContact CB-CE1 3.45Å; C168-H193 WeakPolarHBondContact CB-CE1 3.39Å; C168-H193 VanDerWaalsContact CB-ND1 3.34Å; C168-H193 WeakPolarHBondContact CB-ND1 3.42Å; C168-H193 PolarHBondContact SG-N 2.56Å; C168-H193 VanDerWaalsContact SG-N 3.41Å; C171-H193 PolarHBondContact SG-ND1 3.48Å; C171-H193 VanDerWaalsContact SG-ND1 3.41Å; E173-H193 PolarHBondContact O-CE1 2.86Å; E173-H193 VanDerWaalsContact O-CE1 3.29Å; M174-H193 PolarHBondContact O-CE1 3.49Å; M174-H193 PolarHBondContact O-NE2 2.88Å; L175-H193 HydrophobicContact CD2-CB 4.47Å; L175-H193 VanDerWaalsContact CD2-CD2 3.48Å; L175-H193 WeakPolarHBondContact CD2-CD2 3.44Å; H193-R195 VanDerWaalsContact C-N 3.31Å; H193-R195 HydrophobicContact CB-CG 3.57Å; H193-R195 PolarHBondContact CE1-NH2 2.87Å; H193-R195 PolarHBondContact ND1-NH2 2.86Å; H193-R195 VanDerWaalsContact ND1-NH2 3.13Å; H193-R195 PolarHBondContact O-N 2.88Å; H193-C196 HydrophobicContact CB-CB 4.01Å; H193-C196 WeakPolarHBondContact O-CA 3.5Å; H193-C196 WeakPolarHBondContact O-CB 3.2Å; H193-C196 PolarHBondContact O-N 3.16Å; H193-A197 PolarHBondContact O-N 2.82Å
194	K	61.2	Low	70.8	Confident	50 Å²	50	38.9 Å²	38.9	22%	0.217	20%	0.199	C	C	.	.	H	α-helix	trans	-52.7	-47	168.3	-58.5	170.1	-174.2	165.1	0	111.6	R180 L183 C196 A197 S584	R180-K194 WeakPolarHBondContact O-CE 3.28Å; R180-K194 PolarHBondContact O-NZ 3.47Å; L183-K194 HydrophobicContact CD2-CG 4.19Å; L183-K194 HydrophobicContact CG-CG 4.19Å; K194-C196 PolarHBondContact O-N 2.92Å; K194-A197 VanDerWaalsContact O-CB 3.22Å; K194-A197 WeakPolarHBondContact O-CB 3.31Å; K194-A197 PolarHBondContact O-N 3.36Å; K194-S584 VanDerWaalsContact CB-OG 3.32Å; K194-S584 WeakPolarHBondContact CB-OG 3.43Å; K194-S584 WeakPolarHBondContact CD-O 3.38Å
195	R	59.2	Low	70.2	Confident	86 Å²	86	39.3 Å²	39.3	33%	0.325	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-20.3	172.2	61.7	160.8	-168	-175.3	3	115.5	E173 H193	E173-R195 IonicContact OE2-CZ 3.48Å; E173-R195 IonicContact OE2-NH1 2.8Å; E173-R195 PolarHBondContact OE2-NH1 3.47Å; E173-R195 IonicContact OE2-NH2 2.64Å; E173-R195 PolarHBondContact OE2-NH2 3.15Å; H193-R195 VanDerWaalsContact C-N 3.31Å; H193-R195 HydrophobicContact CB-CG 3.57Å; H193-R195 PolarHBondContact CE1-NH2 2.87Å; H193-R195 PolarHBondContact ND1-NH2 2.86Å; H193-R195 VanDerWaalsContact ND1-NH2 3.13Å; H193-R195 PolarHBondContact O-N 2.88Å
196	C	63.6	Low	69.3	Low	10 Å²	10	40.9 Å²	40.9	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-94.6	-23.3	179.6	-69.7	0	0	0	0	112.2	Y170 H193 K194 F198 K199 I200	Y170-C196 HydrophobicContact CD1-CB 3.86Å; H193-C196 HydrophobicContact CB-CB 4.01Å; H193-C196 WeakPolarHBondContact O-CA 3.5Å; H193-C196 WeakPolarHBondContact O-CB 3.2Å; H193-C196 PolarHBondContact O-N 3.16Å; K194-C196 PolarHBondContact O-N 2.92Å; C196-F198 PolarHBondContact O-N 2.9Å; C196-F198 VanDerWaalsContact O-N 3.08Å; C196-K199 WeakPolarHBondContact O-CA 3.47Å; C196-K199 PolarHBondContact O-N 2.77Å; C196-I200 PolarHBondContact O-N 3.04Å
197	A	65.4	Low	68.4	Low	2 Å²	2	39.6 Å²	39.6	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-43.9	-46.8	-176.5	0	0	0	0	0	113.6	L157 L183 H193 K194 K199 I200 R611	L157-A197 HydrophobicContact CD1-CB 3.99Å; L183-A197 HydrophobicContact CD1-CB 3.46Å; L183-A197 VanDerWaalsContact CD1-CB 3.46Å; H193-A197 PolarHBondContact O-N 2.82Å; K194-A197 VanDerWaalsContact O-CB 3.22Å; K194-A197 WeakPolarHBondContact O-CB 3.31Å; K194-A197 PolarHBondContact O-N 3.36Å; A197-K199 VanDerWaalsContact C-N 3.26Å; A197-K199 PolarHBondContact O-N 3.13Å; A197-I200 PolarHBondContact O-N 2.85Å; A197-R611 PolarHBondContact O-NH1 3.28Å
198	F	59.3	Low	67.2	Low	25 Å²	25	47.5 Å²	47.5	11%	0.11	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.9	-176.4	-75.3	-102.2	0	0	0	113.4	C196 V534 I589 V606 D608 R611	C196-F198 PolarHBondContact O-N 2.9Å; C196-F198 VanDerWaalsContact O-N 3.08Å; F198-V534 HydrophobicContact CD1-CG1 4.43Å; F198-I589 HydrophobicContact CB-CD1 4.06Å; F198-I589 HydrophobicContact CD2-CB 4.21Å; F198-I589 HydrophobicContact CD2-CD1 3.31Å; F198-I589 HydrophobicContact CD2-CG1 3.54Å; F198-I589 HydrophobicContact CE2-CB 4.14Å; F198-I589 HydrophobicContact CE2-CD1 4.04Å; F198-I589 HydrophobicContact CE2-CG1 3.71Å; F198-I589 HydrophobicContact CG-CD1 3.88Å; F198-I589 HydrophobicContact CG-CG1 4.42Å; F198-V606 HydrophobicContact CE1-CG1 4.1Å; F198-V606 VanDerWaalsContact CZ-O 3.24Å; F198-V606 WeakPolarHBondContact CZ-O 3.44Å; F198-D608 HydrophobicContact CE1-CB 3.91Å; F198-D608 HydrophobicContact CZ-CB 4.09Å; F198-R611 PolarHBondContact O-NH1 2.67Å
199	K	64.3	Low	65.6	Low	119 Å²	119	55.3 Å²	55.3	52%	0.517	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-2.3	-176.7	-51.3	-168.7	179.8	-168.4	0	114.3	Y170 C196 A197	Y170-K199 HydrophobicContact CE1-CB 4.01Å; Y170-K199 HydrophobicContact CE2-CB 4.46Å; Y170-K199 WeakPolarHBondContact CE2-O 3.34Å; Y170-K199 WeakPolarHBondContact OH-CB 3.46Å; Y170-K199 PolarHBondContact OH-O 3.36Å; C196-K199 WeakPolarHBondContact O-CA 3.47Å; C196-K199 PolarHBondContact O-N 2.77Å; A197-K199 VanDerWaalsContact C-N 3.26Å; A197-K199 PolarHBondContact O-N 3.13Å
200	I	67.1	Low	63.4	Low	7 Å²	7	66.4 Å²	66.4	4%	0.036	32%	0.317	C	S	.	.	S	Bend	trans	-70.7	135.2	173.1	-48	167.1	0	0	0	107.8	L157 Y170 Y192 C196 A197 R611	L157-I200 HydrophobicContact CD1-CD1 3.97Å; Y170-I200 HydrophobicContact CD2-CG1 4.47Å; Y192-I200 HydrophobicContact CD1-CD1 3.38Å; Y192-I200 HydrophobicContact CD1-CG1 3.86Å; Y192-I200 HydrophobicContact CD2-CD1 3.74Å; Y192-I200 HydrophobicContact CE1-CD1 3.74Å; Y192-I200 HydrophobicContact CE1-CG1 4.07Å; Y192-I200 HydrophobicContact CE1-CG2 4.11Å; Y192-I200 HydrophobicContact CE2-CD1 4.07Å; Y192-I200 HydrophobicContact CG-CD1 3.37Å; Y192-I200 HydrophobicContact CG-CG1 4.32Å; C196-I200 PolarHBondContact O-N 3.04Å; A197-I200 PolarHBondContact O-N 2.85Å; I200-R611 PolarHBondContact O-NH2 3.23Å
201	P	63.4	Low	61.1	Low	47 Å²	47	74.3 Å²	74.3	31%	0.305	34%	0.343	S	S	.	.			trans	-65.5	158	168.1	25.3	-32	0	0	0	111.7	H155 N203	H155-P201 PolarHBondContact CD2-O 2.63Å; P201-N203 PolarHBondContact O-N 3.13Å; P201-N203 VanDerWaalsContact O-N 3.13Å
202	N	61.3	Low	58.6	Low	49 Å²	49	80.3 Å²	80.3	26%	0.262	37%	0.374	S	S	.	.	S	Bend	trans	-89.8	53	-178.6	-73.9	-25.1	0	0	0	112	I152 R153 P154 R611	I152-N202 HydrophobicContact CG2-CB 3.31Å; R153-N202 CarbonylContact C-O 3.2Å; R153-N202 PolarHBondContact N-O 3.42Å; R153-N202 VanDerWaalsContact N-O 3.1Å; R153-N202 CarbonylContact O-C 3.58Å; P154-N202 HydrophobicContact CB-CB 4.35Å; N202-R611 PolarHBondContact OD1-NE 3.29Å; N202-R611 PolarHBondContact OD1-NH2 3.27Å
203	N	67.3	Low	56.2	Low	85 Å²	85	85.2 Å²	85.2	46%	0.455	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-118.6	43	-175.2	63.8	1.7	0	0	0	112.7	P201 S205	P201-N203 PolarHBondContact O-N 3.13Å; P201-N203 VanDerWaalsContact O-N 3.13Å; N203-S205 PolarHBondContact O-N 2.84Å
204	C	72.9	Confident	54.6	Low	7 Å²	7	91.5 Å²	91.5	5%	0.047	44%	0.444	C	S	.	.			trans	-62.8	120.5	-176.2	-173.7	0	0	0	0	111.8	R153 H155 C185 C188 G206	R153-C204 WeakPolarHBondContact CD-O 3.26Å; R153-C204 HydrophobicContact CG-CB 4.21Å; R153-C204 WeakPolarHBondContact O-CB 3.23Å; R153-C204 PolarHBondContact O-N 2.64Å; H155-C204 WeakPolarHBondContact NE2-CA 3.47Å; C185-C204 PolarHBondContact SG-SG 2.86Å; C188-C204 VanDerWaalsContact SG-SG 3.69Å; C204-G206 PolarHBondContact O-N 3.21Å
205	S	68.2	Low	53	Low	58 Å²	58	95.7 Å²	95.7	41%	0.406	47%	0.474	S	S	.	.			trans	-63.6	-12.9	-175.9	64.8	0	0	0	0	115.4	C188 N203 V207	C188-S205 WeakPolarHBondContact CB-OG 3.44Å; N203-S205 PolarHBondContact O-N 2.84Å; S205-V207 PolarHBondContact O-N 3.02Å
206	G	63.1	Low	51.5	Low	34 Å²	34	97 Å²	97	35%	0.351	50%	0.496	S	S	.	.			trans	67.3	-34.3	-177.4	0	0	0	0	0	115.6	G187 C204	G187-G206 CarbonylContact C-O 3.57Å; C204-G206 PolarHBondContact O-N 3.21Å
207	V	57.9	Low	49.8	Very low	105 Å²	105	104.4 Å²	104.4	64%	0.636	53%	0.534	S	S	*	.	S	Bend	trans	-80.4	122.3	179	-177.6	0	0	0	0	110.6	S205 K209	S205-V207 PolarHBondContact O-N 3.02Å; V207-K209 PolarHBondContact O-N 3.19Å
208	R	48.5	Very low	48.1	Very low	190 Å²	190	110.3 Å²	110.3	72%	0.717	57%	0.572	S	S	*	*			trans	-73.2	84.2	-179	-160.8	-179	-160.7	-176.9	7	111.4	G187 R210	G187-R208 WeakPolarHBondContact O-CA 3.48Å; G187-R208 PolarHBondContact O-N 3.31Å; R208-R210 PolarHBondContact O-N 3.29Å
209	K	44.3	Very low	46.5	Very low	166 Å²	166	112.2 Å²	112.2	72%	0.722	60%	0.599	S	S	*	*			trans	-60.5	109	-178.5	-78.2	-175.2	175.5	178.2	0	111.3	V207 R211	V207-K209 PolarHBondContact O-N 3.19Å; K209-R211 PolarHBondContact O-N 2.75Å
210	R	34.8	Very low	44.9	Very low	251 Å²	251	113.2 Å²	113.2	95%	0.947	62%	0.617	S	S	*	*			trans	-67.1	100.8	164.7	-70.4	-176.3	-178.2	171.7	0.8	108.6	R208	R208-R210 PolarHBondContact O-N 3.29Å
211	R	35.8	Very low	42.9	Very low	224 Å²	224	116 Å²	116	85%	0.845	65%	0.648	S	S	*	*			trans	-77.2	124.8	171.9	-160	177.2	-162.1	-95.1	6.2	108.5	K209 S213	K209-R211 PolarHBondContact O-N 2.75Å; R211-S213 PolarHBondContact O-N 2.89Å
212	L	29.8	Very low	41.2	Very low	150 Å²	150	122.1 Å²	122.1	79%	0.785	68%	0.677	S	S	*	*			trans	-64.3	128.8	173.4	-72.7	166.1	0	0	0	109.7	N214	L212-N214 PolarHBondContact O-N 2.84Å
213	S	28.4	Very low	39.5	Very low	112 Å²	112	124.7 Å²	124.7	78%	0.783	70%	0.699	S	S	*	*			trans	-95	81.4	-178.5	53.4	0	0	0	0	110.7	R211 V215	R211-S213 PolarHBondContact O-N 2.89Å; S213-V215 PolarHBondContact O-N 3.16Å; S213-V215 VanDerWaalsContact O-N 3.16Å
214	N	30.5	Very low	37.5	Very low	144 Å²	144	127.2 Å²	127.2	77%	0.77	72%	0.717	S	S	*	*			trans	-79.6	93.6	176.6	-70	15.5	0	0	0	111.1	L212	L212-N214 PolarHBondContact O-N 2.84Å
215	V	28.5	Very low	35.3	Very low	139 Å²	139	132.8 Å²	132.8	84%	0.842	75%	0.753	S	S	*	*				-152.3	104.2	119.1	-177	0	0	0	0	108	S213	S213-V215 PolarHBondContact O-N 3.16Å; S213-V215 VanDerWaalsContact O-N 3.16Å
216	S	26.8	Very low	33.2	Very low	113 Å²	113	138.5 Å²	138.5	79%	0.79	77%	0.766	S	S	*	*			trans	-138.7	134	160.1	-63.3	0	0	0	0	107.4
217	L	27.7	Very low	31.4	Very low	166 Å²	166	142.2 Å²	142.2	87%	0.869	78%	0.784	S	S	*	*			trans	-74.7	134.5	179.7	-74.6	145.4	0	0	0	110	G219	L217-G219 PolarHBondContact O-N 3.36Å
218	P	30.9	Very low	29.7	Very low	125 Å²	125	144.7 Å²	144.7	81%	0.812	79%	0.793	S	S	*	*			trans	-79.2	108.9	177.2	30.5	-32.4	0	0	0	111.2
219	G	25.5	Very low	28.5	Very low	66 Å²	66	141.3 Å²	141.3	68%	0.68	79%	0.785	S	S	*	*			trans	-80.8	147.5	157	0	0	0	0	0	110.5	L217	L217-G219 PolarHBondContact O-N 3.36Å
220	P	30.7	Very low	27.9	Very low	139 Å²	139	138.8 Å²	138.8	90%	0.903	79%	0.786	S	S	*	*			trans	-84.3	141.3	-172.7	32.9	-35	0	0	0	113.1
221	G	24.5	Very low	27.5	Very low	66 Å²	66	132.6 Å²	132.6	68%	0.68	77%	0.768	S	S	*	*			trans	161.2	99.5	164.8	0	0	0	0	0	116.3
222	L	27.6	Very low	27	Very low	176 Å²	176	131.1 Å²	131.1	92%	0.921	76%	0.763	S	S	*	*			trans	61.5	145.9	151	-50.3	171.3	0	0	0	118.8
223	S	26.5	Very low	26.8	Very low	103 Å²	103	130 Å²	130	72%	0.72	76%	0.763	S	S	*	*			cis	-161.5	151.6	-28.9	50	0	0	0	0	107.7
224	V	25.7	Very low	26.6	Very low	138 Å²	138	128.2 Å²	128.2	84%	0.836	75%	0.754	S	S	*	*			trans	-121.3	134.8	176.4	179.4	0	0	0	0	109.2
225	P	25.7	Very low	26.2	Very low	124 Å²	124	129.2 Å²	129.2	81%	0.805	76%	0.759	S	S	*	*			trans	-64	140.6	177.8	-23.1	34.5	0	0	0	113.6
226	R	23.7	Very low	26.4	Very low	177 Å²	177	128.5 Å²	128.5	67%	0.668	76%	0.757	S	S	*	*			trans	-86	148.7	176.1	-144.5	-174	-159.6	-167.1	6.7	110.8	Q229	R226-Q229 VanDerWaalsContact CZ-OE1 3.22Å
227	P	25.8	Very low	26.3	Very low	112 Å²	112	128.3 Å²	128.3	73%	0.727	76%	0.756	S	S	*	*				-139.4	164.4	102.7	26.6	-8.5	0	0	0	112.1
228	L	21.6	Very low	26.2	Very low	157 Å²	157	129.2 Å²	129.2	82%	0.822	76%	0.756	S	S	*	*			cis	-154.8	170.1	-11.8	-108.5	163.4	0	0	0	107.1
229	Q	23.3	Very low	25.9	Very low	119 Å²	119	132 Å²	132	56%	0.556	76%	0.758	S	S	*	*			trans	-109.4	173.2	172.7	-60.4	-178.1	-101.4	0	0	110.7	R226	R226-Q229 VanDerWaalsContact CZ-OE1 3.22Å
230	P	32.5	Very low	25.9	Very low	114 Å²	114	133.6 Å²	133.6	74%	0.74	76%	0.759	S	S	*	*				-135.3	179.1	74.1	13.8	11.4	0	0	0	114.1
231	E	25.2	Very low	25.6	Very low	120 Å²	120	135.8 Å²	135.8	56%	0.561	76%	0.756	S	S	*	*			cis	-172	169.5	-32.5	-104.9	-177.2	124.6	0	0	109.4
232	Y	26.5	Very low	25.5	Very low	193 Å²	193	139.4 Å²	139.4	76%	0.757	77%	0.765	S	S	*	*			trans	67.3	146.5	162.5	-50.2	-47.5	0	0	0	119.9
233	V	24.6	Very low	25.3	Very low	127 Å²	127	138.9 Å²	138.9	77%	0.77	76%	0.758	S	S	*	*			cis	-153.2	149.3	-13.4	129	0	0	0	0	111.5
234	A	24.1	Very low	25.2	Very low	74 Å²	74	142.4 Å²	142.4	61%	0.612	76%	0.763	S	S	*	*			trans	-6	137.6	159.7	0	0	0	0	0	121.5
235	L	23	Very low	25	Very low	166 Å²	166	144.3 Å²	144.3	87%	0.869	76%	0.762	S	S	*	*				77	160.7	73.5	-72.9	170.9	0	0	0	115
236	P	33	Very low	25.9	Very low	124 Å²	124	143.1 Å²	143.1	81%	0.805	76%	0.755	S	S	*	*			cis	-129.3	-152.5	-9.6	36.9	-15.7	0	0	0	113.9
237	S	24.4	Very low	25.8	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	76%	0.757	S	S	*	*			trans	-135.7	158.2	-172.8	54.9	0	0	0	0	113.7
238	E	24.4	Very low	25.7	Very low	184 Å²	184	144 Å²	144	86%	0.86	77%	0.765	S	S	*	*			trans	-164.9	136.7	156.2	-101.4	160.9	-157.7	0	0	106.9
239	E	24.8	Very low	25.9	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	77%	0.768	S	S	*	*				68.3	140.9	74.2	-68.7	-159.9	-165.7	0	0	115
240	S	25.9	Very low	26	Very low	100 Å²	100	149.7 Å²	149.7	70%	0.699	78%	0.781	S	S	*	*			cis	-157.2	164.3	4.3	52.6	0	0	0	0	114.7
241	H	24.6	Very low	26.1	Very low	184 Å²	184	149.3 Å²	149.3	85%	0.852	78%	0.778	S	S	*	*			trans	13.3	147.6	157.6	-68.6	-80	0	0	0	125.9
242	V	22.5	Very low	26	Very low	142 Å²	142	148 Å²	148	86%	0.861	78%	0.782	S	S	*	*				-168.4	172.9	129.9	136.8	0	0	0	0	112.2
243	H	24.4	Very low	26	Very low	166 Å²	166	151.2 Å²	151.2	77%	0.769	79%	0.793	S	S	*	*			trans	-92.9	171.9	-156.2	-68.3	-100.1	0	0	0	119.9
244	Q	23.6	Very low	26.1	Very low	177 Å²	177	150.9 Å²	150.9	83%	0.827	80%	0.796	S	S	*	*			trans	105.6	107.2	131	-103.4	170.8	10.7	0	0	122.8
245	E	20.4	Very low	26.3	Very low	177 Å²	177	151.4 Å²	151.4	83%	0.827	81%	0.809	S	S	*	*			trans	59.3	158.6	133.1	-75.2	-73.3	96.4	0	0	123
246	P	44.5	Very low	26.7	Very low	99 Å²	99	153 Å²	153	64%	0.643	80%	0.803	S	S	*	*			trans	-125.4	167.7	-149.9	44.5	-34.1	0	0	0	117.2
247	S	22.5	Very low	26.9	Very low	103 Å²	103	151.3 Å²	151.3	72%	0.72	79%	0.792	S	S	*	*			trans	-165.7	136.9	147.3	-97.3	0	0	0	0	116.2
248	K	23.1	Very low	27.5	Very low	205 Å²	205	152.7 Å²	152.7	89%	0.891	79%	0.789	S	S	*	*			trans	50.4	155.9	138.3	-63.4	171.2	-175.9	168.8	0	120.8
249	R	26.5	Very low	28.2	Very low	237 Å²	237	153 Å²	153	89%	0.894	78%	0.783	S	S	*	*			trans	-85.1	175.6	-167.9	-61.2	174.3	174.6	161.5	-2.4	114
250	I	25.1	Very low	28.8	Very low	159 Å²	159	148.7 Å²	148.7	82%	0.815	76%	0.764	S	S	*	*			trans	87.8	143.1	163.3	-55	165.1	0	0	0	112.8
251	P	34.8	Very low	29.2	Very low	106 Å²	106	150.3 Å²	150.3	69%	0.688	76%	0.76	S	S	*	*			cis	-129.4	-170	0.6	26.2	-1.2	0	0	0	116.2
252	S	23.3	Very low	29.6	Very low	91 Å²	91	149.1 Å²	149.1	64%	0.636	75%	0.753	S	S	*	*			trans	59.6	105.3	138.3	59.6	0	0	0	0	123.1
253	W	26.8	Very low	30.3	Very low	261 Å²	261	147.8 Å²	147.8	99%	0.989	74%	0.739	S	S	*	*				49.1	92.5	117.4	-71.9	41.5	0	0	0	119
254	S	26.8	Very low	31.1	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	73%	0.731	S	S	*	*			trans	-126.2	123.9	140.3	57.4	0	0	0	0	108.7
255	G	27.2	Very low	31.5	Very low	84 Å²	84	144.5 Å²	144.5	87%	0.866	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-82.1	139.8	-160.7	0	0	0	0	0	115
256	R	32.7	Very low	32.3	Very low	200 Å²	200	141 Å²	141	76%	0.755	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-86.4	156	159.8	-69.1	-174.9	178.3	-170.8	-0.5	110	I258	R256-I258 PolarHBondContact O-N 2.86Å
257	P	37.2	Very low	32.3	Very low	89 Å²	89	144.9 Å²	144.9	58%	0.578	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.7	135	-178.6	-24.4	34.9	0	0	0	113.3	W259 M260	P257-W259 PolarHBondContact O-N 2.83Å; P257-M260 WeakPolarHBondContact O-CB 3.42Å; P257-M260 PolarHBondContact O-N 3.24Å
258	I	35.7	Very low	33.5	Very low	137 Å²	137	146 Å²	146	70%	0.703	73%	0.731	S	S	*	*	H	α-helix	trans	-58.9	-23.7	-174.6	-65	168.7	0	0	0	113.4	R256 M260	R256-I258 PolarHBondContact O-N 2.86Å; I258-M260 PolarHBondContact O-N 2.87Å
259	W	39.5	Very low	34.7	Very low	192 Å²	192	144.5 Å²	144.5	73%	0.727	72%	0.724	S	S	*	*	H	α-helix	trans	-50.9	-42.8	167.4	172.8	-67	0	0	0	112.3	P257 K262 M263	P257-W259 PolarHBondContact O-N 2.83Å; W259-K262 PolarHBondContact O-N 3.09Å; W259-M263 HydrophobicContact CZ2-CE 3.89Å; W259-M263 PolarHBondContact NE1-SD 2.97Å; W259-M263 PolarHBondContact O-N 2.97Å; W259-M263 VanDerWaalsContact O-N 3.13Å
260	M	36.7	Very low	36.2	Very low	93 Å²	93	136.5 Å²	136.5	46%	0.458	70%	0.701	S	S	.	*	H	α-helix	trans	-74.7	-33.1	-168.1	-159.2	170.1	-74	0	0	112.2	P257 I258 M263 V264	P257-M260 WeakPolarHBondContact O-CB 3.42Å; P257-M260 PolarHBondContact O-N 3.24Å; I258-M260 PolarHBondContact O-N 2.87Å; M260-M263 PolarHBondContact O-N 3.42Å; M260-V264 WeakPolarHBondContact O-CG2 3.4Å; M260-V264 PolarHBondContact O-N 2.84Å; M260-V264 VanDerWaalsContact O-N 3.12Å
261	E	36.2	Very low	38.4	Very low	133 Å²	133	132.3 Å²	132.3	62%	0.621	69%	0.685	S	S	*	*	H	α-helix	trans	-68.4	-39.2	173.8	-64.1	-171.1	131.2	0	0	111.8	M263 V264 M265	E261-M263 VanDerWaalsContact C-N 3.31Å; E261-M263 PolarHBondContact O-N 3.31Å; E261-V264 PolarHBondContact O-N 3.4Å; E261-V264 VanDerWaalsContact O-N 3.12Å; E261-M265 PolarHBondContact O-N 2.93Å
262	K	31.8	Very low	40.7	Very low	160 Å²	160	128.4 Å²	128.4	70%	0.696	66%	0.657	S	S	*	*	H	α-helix	trans	-61.4	-37.3	171.2	-89	-174	172.6	-179.9	0	112.4	W259 V264 C266	W259-K262 PolarHBondContact O-N 3.09Å; K262-V264 VanDerWaalsContact C-N 3.33Å; K262-V264 PolarHBondContact O-N 2.83Å; K262-C266 WeakPolarHBondContact O-CB 3.32Å; K262-C266 PolarHBondContact O-N 3.19Å; K262-C266 PolarHBondContact O-SG 3.39Å
263	M	38.3	Very low	43.6	Very low	114 Å²	114	127.4 Å²	127.4	56%	0.562	65%	0.647	S	S	*	*	H	α-helix	trans	-68.3	-27.3	173.6	-84.2	-165.5	163.3	0	0	114	W259 M260 E261	W259-M263 HydrophobicContact CZ2-CE 3.89Å; W259-M263 PolarHBondContact NE1-SD 2.97Å; W259-M263 PolarHBondContact O-N 2.97Å; W259-M263 VanDerWaalsContact O-N 3.13Å; M260-M263 PolarHBondContact O-N 3.42Å; E261-M263 VanDerWaalsContact C-N 3.31Å; E261-M263 PolarHBondContact O-N 3.31Å
264	V	39.8	Very low	46.5	Very low	100 Å²	100	117.1 Å²	117.1	61%	0.606	61%	0.609	S	S	*	*	H	α-helix	trans	-81.7	-42	177.2	173.7	0	0	0	0	111.6	M260 E261 K262 C266 R267	M260-V264 WeakPolarHBondContact O-CG2 3.4Å; M260-V264 PolarHBondContact O-N 2.84Å; M260-V264 VanDerWaalsContact O-N 3.12Å; E261-V264 PolarHBondContact O-N 3.4Å; E261-V264 VanDerWaalsContact O-N 3.12Å; K262-V264 VanDerWaalsContact C-N 3.33Å; K262-V264 PolarHBondContact O-N 2.83Å; V264-C266 VanDerWaalsContact C-N 3.34Å; V264-C266 PolarHBondContact O-N 3.15Å; V264-R267 PolarHBondContact O-N 2.99Å
265	M	32.9	Very low	49.2	Very low	174 Å²	174	113 Å²	113	86%	0.857	58%	0.582	S	S	*	*	H	α-helix	trans	-71.8	-23.2	179.4	-75.5	-159.9	162.4	0	0	114.3	E261	E261-M265 PolarHBondContact O-N 2.93Å
266	C	36.4	Very low	52	Low	104 Å²	104	112.4 Å²	112.4	70%	0.703	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	5.9	177.1	-67.9	0	0	0	0	114.9	K262 V264 V268	K262-C266 WeakPolarHBondContact O-CB 3.32Å; K262-C266 PolarHBondContact O-N 3.19Å; K262-C266 PolarHBondContact O-SG 3.39Å; V264-C266 VanDerWaalsContact C-N 3.34Å; V264-C266 PolarHBondContact O-N 3.15Å; C266-V268 PolarHBondContact O-N 2.94Å
267	R	44.6	Very low	54	Low	179 Å²	179	106 Å²	106	68%	0.675	54%	0.54	S	S	*	.	S	Bend	trans	-72.6	114.6	172.2	-76.9	-176.4	179	-167.4	-2	110.5	V264 K269	V264-R267 PolarHBondContact O-N 2.99Å; R267-K269 PolarHBondContact O-N 3.35Å
268	V	47.1	Very low	55.9	Low	128 Å²	128	104.2 Å²	104.2	78%	0.776	53%	0.53	S	S	*	.			trans	-55.7	123.5	173.8	179.2	0	0	0	0	109.5	C266 V270	C266-V268 PolarHBondContact O-N 2.94Å; V268-V270 HydrophobicContact CG1-CG2 4.18Å; V268-V270 PolarHBondContact O-N 3.26Å
269	K	49.2	Very low	57.6	Low	172 Å²	172	98.7 Å²	98.7	75%	0.748	50%	0.501	S	S	*	.			trans	-79.3	80.6	-179.1	-79	-176.5	179	177.9	0	111.2	R267 R319	R267-K269 PolarHBondContact O-N 3.35Å; K269-R319 CarbonylContact C-O 3.41Å; K269-R319 WeakPolarHBondContact CA-O 3.49Å; K269-R319 WeakPolarHBondContact CB-O 3.45Å
270	V	58.5	Low	58.4	Low	69 Å²	69	96.5 Å²	96.5	42%	0.418	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-71.5	124	-178.1	-176.3	0	0	0	0	110.8	V268 R319 D320 C321	V268-V270 HydrophobicContact CG1-CG2 4.18Å; V268-V270 PolarHBondContact O-N 3.26Å; V270-R319 PolarHBondContact N-O 3.42Å; V270-R319 CarbonylContact O-C 3.6Å; V270-D320 PolarHBondContact O-N 3.06Å; V270-C321 VanDerWaalsContact O-CB 3.32Å; V270-C321 WeakPolarHBondContact O-CB 3.47Å; V270-C321 PolarHBondContact O-N 3.49Å
271	P	71.4	Confident	59.9	Low	72 Å²	72	101.6 Å²	101.6	47%	0.468	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-71.8	145.4	173.6	30.4	-34.3	0	0	0	111.7	R319	P271-R319 HydrophobicContact CB-CB 4.38Å; P271-R319 HydrophobicContact CB-CG 4.06Å
272	H	81.5	Confident	61.6	Low	23 Å²	23	101 Å²	101	11%	0.106	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-66.3	130.7	176.8	-68.4	-96.4	0	0	0	112.8	F274 C302 C305 P318 D320 C321	H272-F274 VanDerWaalsContact C-N 3.32Å; H272-F274 HydrophobicContact CB-CD2 3.83Å; H272-F274 HydrophobicContact CB-CE1 4.17Å; H272-F274 HydrophobicContact CB-CE2 3.45Å; H272-F274 VanDerWaalsContact CB-CE2 3.45Å; H272-F274 HydrophobicContact CB-CG 4.34Å; H272-F274 HydrophobicContact CB-CZ 3.61Å; H272-F274 AromaticContact CG-CZ 3.88Å; H272-F274 PolarHBondContact O-N 3.13Å; H272-C302 HydrophobicContact CB-CB 4.01Å; H272-C305 PolarHBondContact CE1-SG 3.45Å; H272-C305 PolarHBondContact ND1-SG 3.4Å; H272-P318 PolarHBondContact CD2-O 3Å; H272-P318 VanDerWaalsContact CD2-O 3.27Å; H272-D320 IonicContact NE2-OD1 3.88Å; H272-C321 HydrophobicContact CB-CB 4.34Å
273	T	85	Confident	63.8	Low	70 Å²	70	94.8 Å²	94.8	43%	0.429	51%	0.506	S	S	.	.			trans	-79.5	77.1	173.6	-45.3	0	0	0	0	111.1	A275 C302 K303 D304	T273-A275 PolarHBondContact O-N 3.18Å; T273-C302 PolarHBondContact N-SG 3.22Å; T273-K303 HydrophobicContact CG2-CD 4.05Å; T273-K303 PolarHBondContact O-N 3.34Å; T273-D304 WeakPolarHBondContact CB-OD2 3.18Å; T273-D304 PolarHBondContact N-OD2 3.41Å; T273-D304 VanDerWaalsContact N-OD2 3.09Å; T273-D304 PolarHBondContact OG1-OD2 3.32Å
274	F	87.6	Confident	66	Low	45 Å²	45	93.8 Å²	93.8	20%	0.197	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120.7	-178.1	-76.4	-59.7	0	0	0	113.6	H272 M300 C302 F307 A314 V317	H272-F274 VanDerWaalsContact C-N 3.32Å; H272-F274 HydrophobicContact CB-CD2 3.83Å; H272-F274 HydrophobicContact CB-CE1 4.17Å; H272-F274 HydrophobicContact CB-CE2 3.45Å; H272-F274 VanDerWaalsContact CB-CE2 3.45Å; H272-F274 HydrophobicContact CB-CG 4.34Å; H272-F274 HydrophobicContact CB-CZ 3.61Å; H272-F274 AromaticContact CG-CZ 3.88Å; H272-F274 PolarHBondContact O-N 3.13Å; F274-M300 HydrophobicContact CB-CB 4.16Å; F274-M300 HydrophobicContact CB-CE 3.84Å; F274-M300 HydrophobicContact CB-SD 4.23Å; F274-M300 HydrophobicContact CD1-CB 3.97Å; F274-M300 HydrophobicContact CG-CB 4.32Å; F274-M300 WeakPolarHBondContact O-CE 3.36Å; F274-C302 HydrophobicContact CD1-CB 4.21Å; F274-C302 HydrophobicContact CE1-CB 4.02Å; F274-F307 HydrophobicContact CE1-CD1 4.03Å; F274-F307 AromaticContact CZ-CD1 3.95Å; F274-F307 HydrophobicContact CZ-CD1 3.95Å; F274-A314 HydrophobicContact CD2-CB 3.87Å; F274-A314 HydrophobicContact CE2-CB 4.2Å; F274-A314 HydrophobicContact CG-CB 4.22Å; F274-V317 HydrophobicContact CE2-CB 4.08Å; F274-V317 HydrophobicContact CE2-CG1 4.5Å; F274-V317 HydrophobicContact CE2-CG2 4.05Å; F274-V317 HydrophobicContact CZ-CB 4.09Å; F274-V317 HydrophobicContact CZ-CG1 4.15Å; F274-V317 HydrophobicContact CZ-CG2 3.82Å
275	A	84.3	Confident	68.4	Low	34 Å²	34	89 Å²	89	28%	0.281	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.7	169.1	0	0	0	0	0	110.8	T273 H277 M300 Q301 K303	T273-A275 PolarHBondContact O-N 3.18Å; A275-H277 PolarHBondContact O-N 2.95Å; A275-M300 CarbonylContact O-C 3.37Å; A275-M300 WeakPolarHBondContact O-CA 3.04Å; A275-Q301 PolarHBondContact N-O 3.08Å; A275-Q301 PolarHBondContact O-N 3.16Å; A275-K303 HydrophobicContact CB-CG 4.13Å
276	V	85.3	Confident	71.1	Confident	73 Å²	73	84.8 Å²	84.8	44%	0.442	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	124.4	174.7	-178.7	0	0	0	0	109	R297 M300	V276-R297 HydrophobicContact CG1-CB 3.62Å; V276-R297 HydrophobicContact CG1-CG 3.71Å; V276-M300 HydrophobicContact CG2-CE 3.83Å
277	H	75.1	Confident	73.6	Confident	64 Å²	64	84.6 Å²	84.6	30%	0.296	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.8	-172.2	-167.5	95	0	0	0	111.1	A275 Y279 R297 Q298 G299 Q301	A275-H277 PolarHBondContact O-N 2.95Å; H277-Y279 HydrophobicContact CB-CE2 4.02Å; H277-Y279 AromaticContact CD2-CD1 3.66Å; H277-Y279 AromaticContact CD2-CE1 3.52Å; H277-Y279 AromaticContact CD2-CE2 3.92Å; H277-Y279 AromaticContact CD2-CG 3.93Å; H277-Y279 AromaticContact CD2-CZ 3.68Å; H277-R297 CarbonylContact O-C 2.97Å; H277-R297 WeakPolarHBondContact O-CA 3.34Å; H277-Q298 PolarHBondContact O-N 3.34Å; H277-G299 PolarHBondContact N-O 2.67Å; H277-Q301 HydrophobicContact CB-CB 3.67Å; H277-Q301 PolarHBondContact CE1-OE1 3.39Å; H277-Q301 VanDerWaalsContact CE1-OE1 3.23Å; H277-Q301 PolarHBondContact ND1-OE1 2.87Å
278	S	77.3	Confident	75.5	Confident	52 Å²	52	78 Å²	78	36%	0.364	42%	0.417	S	S	.	.			trans	-105.3	118.4	174.1	-66.8	0	0	0	0	109.1	R297	S278-R297 PolarHBondContact OG-N 3.06Å
279	Y	71.6	Confident	77.5	Confident	21 Å²	21	79.2 Å²	79.2	8%	0.082	41%	0.412	C	S	.	.			trans	-93.8	134.4	-176	-60.5	-89.7	0	0	0	110.6	H277 T283 L292 Q298 M300 N308	H277-Y279 HydrophobicContact CB-CE2 4.02Å; H277-Y279 AromaticContact CD2-CD1 3.66Å; H277-Y279 AromaticContact CD2-CE1 3.52Å; H277-Y279 AromaticContact CD2-CE2 3.92Å; H277-Y279 AromaticContact CD2-CG 3.93Å; H277-Y279 AromaticContact CD2-CZ 3.68Å; Y279-T283 HydrophobicContact CD1-CG2 3.66Å; Y279-T283 WeakPolarHBondContact CD1-OG1 3.44Å; Y279-T283 HydrophobicContact CE1-CG2 3.81Å; Y279-T283 HydrophobicContact CG-CG2 4.22Å; Y279-L292 HydrophobicContact CD2-CD1 3.75Å; Y279-L292 HydrophobicContact CE1-CD1 4.38Å; Y279-L292 HydrophobicContact CE2-CD1 3.38Å; Y279-L292 HydrophobicContact CG-CD1 4.38Å; Y279-Q298 HydrophobicContact CD2-CB 4.3Å; Y279-Q298 PolarHBondContact O-NE2 2.91Å; Y279-Q298 VanDerWaalsContact O-NE2 3.11Å; Y279-M300 PolarHBondContact OH-O 3.06Å; Y279-N308 HydrophobicContact CE1-CB 4.13Å; Y279-N308 VanDerWaalsContact CE1-OD1 3.22Å; Y279-N308 WeakPolarHBondContact CE1-OD1 3.4Å; Y279-N308 WeakPolarHBondContact OH-CB 3.31Å; Y279-N308 PolarHBondContact OH-OD1 3.01Å
280	T	54.9	Low	79	Confident	146 Å²	146	79.6 Å²	79.6	90%	0.896	41%	0.409	S	S	*	.	S	Bend	trans	-90.3	-3.4	179	52.1	0	0	0	0	113.7
281	R	68.5	Low	80.1	Confident	201 Å²	201	80 Å²	80	76%	0.758	41%	0.408	S	S	*	.	S	Bend	trans	-132.8	153.1	174.2	-69.9	-175.9	174.3	-175.3	-3.7	109.9	T283	R281-T283 PolarHBondContact O-N 3.17Å; R281-T283 PolarHBondContact O-OG1 3.39Å
282	P	72.7	Confident	80.5	Confident	119 Å²	119	77 Å²	77	77%	0.773	39%	0.388	S	S	*	.			trans	-53.3	101.8	172.2	-25.9	35.6	0	0	0	111	L291	P282-L291 HydrophobicContact CB-CD1 3.82Å
283	T	79	Confident	79.6	Confident	30 Å²	30	84.5 Å²	84.5	18%	0.184	42%	0.421	C	S	.	.			trans	-108.8	134.5	-171.2	-60.5	0	0	0	0	110	Y279 R281 L292 N308	Y279-T283 HydrophobicContact CD1-CG2 3.66Å; Y279-T283 WeakPolarHBondContact CD1-OG1 3.44Å; Y279-T283 HydrophobicContact CE1-CG2 3.81Å; Y279-T283 HydrophobicContact CG-CG2 4.22Å; R281-T283 PolarHBondContact O-N 3.17Å; R281-T283 PolarHBondContact O-OG1 3.39Å; T283-L292 HydrophobicContact CG2-CD1 3.9Å; T283-L292 VanDerWaalsContact O-CB 3.25Å; T283-L292 WeakPolarHBondContact O-CB 3.29Å; T283-L292 WeakPolarHBondContact O-CG 3.29Å; T283-L292 PolarHBondContact O-N 2.88Å; T283-N308 HydrophobicContact CG2-CB 4.25Å
284	I	84.3	Confident	78	Confident	93 Å²	93	83.7 Å²	83.7	48%	0.477	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-92.1	139.6	-177.9	-62.6	177.6	0	0	0	110.3	Q286 K289	I284-Q286 PolarHBondContact O-N 3.47Å; I284-Q286 VanDerWaalsContact O-N 3.15Å; I284-K289 VanDerWaalsContact CG2-O 3.27Å; I284-K289 WeakPolarHBondContact CG2-O 3.42Å
285	C	90	Very high	76	Confident	0 Å²	0	88.9 Å²	88.9	0%	0	46%	0.455	C	S	.	.			trans	-65.1	109.4	170.2	177.5	0	0	0	0	109.8	Y287 C288 K289 R290 L292 C309 H310	C285-Y287 PolarHBondContact O-N 2.84Å; C285-Y287 VanDerWaalsContact O-N 3.09Å; C285-C288 PolarHBondContact O-N 2.77Å; C285-C288 PolarHBondContact SG-SG 2.7Å; C285-K289 VanDerWaalsContact O-CA 3.22Å; C285-K289 WeakPolarHBondContact O-CA 3.37Å; C285-K289 PolarHBondContact O-N 2.94Å; C285-R290 WeakPolarHBondContact CB-O 3.17Å; C285-R290 PolarHBondContact N-O 2.77Å; C285-L292 HydrophobicContact CB-CD2 3.79Å; C285-C309 VanDerWaalsContact SG-CA 3.52Å; C285-H310 VanDerWaalsContact CB-CE1 3.43Å; C285-H310 WeakPolarHBondContact CB-CE1 3.41Å; C285-H310 WeakPolarHBondContact CB-ND1 3.47Å; C285-H310 PolarHBondContact SG-N 2.88Å; C285-H310 PolarHBondContact SG-ND1 3.21Å; C285-H310 VanDerWaalsContact SG-ND1 3.42Å
286	Q	89.3	Confident	74.1	Confident	86 Å²	86	94.7 Å²	94.7	40%	0.402	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.4	-176.3	-70.4	175.8	-55.8	0	0	113.2	I284 K289 F307 N308	I284-Q286 PolarHBondContact O-N 3.47Å; I284-Q286 VanDerWaalsContact O-N 3.15Å; Q286-K289 WeakPolarHBondContact O-CE 3.27Å; Q286-K289 PolarHBondContact O-NZ 2.98Å; Q286-F307 HydrophobicContact CB-CD2 4.32Å; Q286-F307 HydrophobicContact CB-CE1 4.14Å; Q286-F307 HydrophobicContact CB-CE2 3.78Å; Q286-F307 HydrophobicContact CB-CZ 3.68Å; Q286-F307 VanDerWaalsContact OE1-CA 3.31Å; Q286-N308 WeakPolarHBondContact CB-O 3.18Å; Q286-N308 PolarHBondContact N-O 3Å
287	Y	89.4	Confident	73	Confident	99 Å²	99	100.1 Å²	100.1	39%	0.388	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-64.6	172.1	179.5	-97.5	0	0	0	113	C285 C313 K316 V317	C285-Y287 PolarHBondContact O-N 2.84Å; C285-Y287 VanDerWaalsContact O-N 3.09Å; Y287-C313 HydrophobicContact CD1-CB 3.73Å; Y287-C313 HydrophobicContact CE1-CB 4.49Å; Y287-C313 HydrophobicContact CG-CB 4.28Å; Y287-K316 HydrophobicContact CE1-CB 3.9Å; Y287-K316 HydrophobicContact CE1-CD 4.36Å; Y287-K316 HydrophobicContact CE2-CB 4.11Å; Y287-K316 WeakPolarHBondContact CE2-O 3.48Å; Y287-K316 WeakPolarHBondContact OH-CB 3.32Å; Y287-V317 HydrophobicContact CD2-CG2 4.32Å; Y287-V317 HydrophobicContact CG-CG2 4.42Å
288	C	84.7	Confident	73.2	Confident	41 Å²	41	98.2 Å²	98.2	28%	0.277	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7.8	-173.2	73.6	0	0	0	0	115.1	C285 R290 H310	C285-C288 PolarHBondContact O-N 2.77Å; C285-C288 PolarHBondContact SG-SG 2.7Å; C288-R290 PolarHBondContact O-N 3Å; C288-H310 VanDerWaalsContact SG-CE1 3.52Å; C288-H310 PolarHBondContact SG-ND1 3.34Å
289	K	87.3	Confident	73.6	Confident	154 Å²	154	95.9 Å²	95.9	67%	0.67	46%	0.462	S	S	*	.			trans	55.6	12.2	178	-47.6	-55.2	-172.9	-172.6	0	116.5	I284 C285 Q286	I284-K289 VanDerWaalsContact CG2-O 3.27Å; I284-K289 WeakPolarHBondContact CG2-O 3.42Å; C285-K289 VanDerWaalsContact O-CA 3.22Å; C285-K289 WeakPolarHBondContact O-CA 3.37Å; C285-K289 PolarHBondContact O-N 2.94Å; Q286-K289 WeakPolarHBondContact O-CE 3.27Å; Q286-K289 PolarHBondContact O-NZ 2.98Å
290	R	81.4	Confident	74.4	Confident	179 Å²	179	96.1 Å²	96.1	68%	0.675	47%	0.465	S	S	*	.			trans	-98.6	149.2	174.6	-62.7	-178.9	-171.2	-166.5	2.5	111.9	C285 C288 H310	C285-R290 WeakPolarHBondContact CB-O 3.17Å; C285-R290 PolarHBondContact N-O 2.77Å; C288-R290 PolarHBondContact O-N 3Å; R290-H310 PolarHBondContact O-CE1 3.33Å; R290-H310 VanDerWaalsContact O-CE1 3.29Å
291	L	82.6	Confident	76.2	Confident	78 Å²	78	91 Å²	91	41%	0.408	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-56.1	139.6	-179.2	-171.7	70	0	0	0	113.2	P282 K293 H310	P282-L291 HydrophobicContact CB-CD1 3.82Å; L291-K293 PolarHBondContact O-N 3.21Å; L291-H310 PolarHBondContact O-NE2 3.42Å
292	L	79.4	Confident	77	Confident	9 Å²	9	81.5 Å²	81.5	5%	0.047	40%	0.395	C	S	.	.			trans	-75.8	96.7	168.2	-58.2	-179.2	0	0	0	108.9	Y279 T283 C285 Q298 H310	Y279-L292 HydrophobicContact CD2-CD1 3.75Å; Y279-L292 HydrophobicContact CE1-CD1 4.38Å; Y279-L292 HydrophobicContact CE2-CD1 3.38Å; Y279-L292 HydrophobicContact CG-CD1 4.38Å; T283-L292 HydrophobicContact CG2-CD1 3.9Å; T283-L292 VanDerWaalsContact O-CB 3.25Å; T283-L292 WeakPolarHBondContact O-CB 3.29Å; T283-L292 WeakPolarHBondContact O-CG 3.29Å; T283-L292 PolarHBondContact O-N 2.88Å; C285-L292 HydrophobicContact CB-CD2 3.79Å; L292-Q298 HydrophobicContact CB-CB 3.7Å; L292-H310 HydrophobicContact CD2-CB 4.34Å; L292-H310 WeakPolarHBondContact CD2-CD2 3.26Å
293	K	61.5	Low	77.5	Confident	180 Å²	180	81.9 Å²	81.9	78%	0.783	38%	0.384	S	S	*	.			trans	-79.6	141	-177	-64.5	-167.3	175.2	-167.4	0	112.3	L291	L291-K293 PolarHBondContact O-N 3.21Å
294	G	51.8	Low	77.5	Confident	54 Å²	54	82.8 Å²	82.8	56%	0.557	39%	0.388	S	S	*	.	S	Bend	trans	131.2	165.5	175.1	0	0	0	0	0	113.2	Q298	G294-Q298 VanDerWaalsContact C-CG 3.49Å; G294-Q298 WeakPolarHBondContact O-CG 3.46Å; G294-Q298 PolarHBondContact O-NE2 3.2Å
295	L	46.3	Very low	77.3	Confident	153 Å²	153	80.3 Å²	80.3	80%	0.801	38%	0.378	S	S	*	.	S	Bend	trans	-84.8	-29.8	176.2	-68.1	172.8	0	0	0	113	Q298	L295-Q298 PolarHBondContact O-NE2 3.13Å
296	F	42.8	Very low	77.1	Confident	157 Å²	157	84.5 Å²	84.5	69%	0.689	40%	0.396	S	S	*	.	S	Bend	trans	-143.1	158.5	177.4	-59.3	-74.6	0	0	0	110.2	Q298	F296-Q298 PolarHBondContact O-N 2.88Å; F296-Q298 VanDerWaalsContact O-N 3.13Å
297	R	63.9	Low	77	Confident	186 Å²	186	82.7 Å²	82.7	70%	0.702	39%	0.387	S	S	*	.			trans	53.6	31.6	175.8	-62.1	-178.5	137.3	169.9	-2	114.1	V276 H277 S278 G299	V276-R297 HydrophobicContact CG1-CB 3.62Å; V276-R297 HydrophobicContact CG1-CG 3.71Å; H277-R297 CarbonylContact O-C 2.97Å; H277-R297 WeakPolarHBondContact O-CA 3.34Å; S278-R297 PolarHBondContact OG-N 3.06Å; R297-G299 PolarHBondContact O-N 3.12Å
298	Q	78.4	Confident	77.1	Confident	25 Å²	25	79.2 Å²	79.2	12%	0.117	38%	0.375	C	S	.	.			trans	-63.4	-19.5	-169.9	-53.7	92.6	-29.5	0	0	113.7	H277 Y279 L292 G294 L295 F296	H277-Q298 PolarHBondContact O-N 3.34Å; Y279-Q298 HydrophobicContact CD2-CB 4.3Å; Y279-Q298 PolarHBondContact O-NE2 2.91Å; Y279-Q298 VanDerWaalsContact O-NE2 3.11Å; L292-Q298 HydrophobicContact CB-CB 3.7Å; G294-Q298 VanDerWaalsContact C-CG 3.49Å; G294-Q298 WeakPolarHBondContact O-CG 3.46Å; G294-Q298 PolarHBondContact O-NE2 3.2Å; L295-Q298 PolarHBondContact O-NE2 3.13Å; F296-Q298 PolarHBondContact O-N 2.88Å; F296-Q298 VanDerWaalsContact O-N 3.13Å
299	G	85.1	Confident	77.5	Confident	2 Å²	2	77.2 Å²	77.2	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	-161.4	178.2	0	0	0	0	0	113.5	H277 R297 C309	H277-G299 PolarHBondContact N-O 2.67Å; R297-G299 PolarHBondContact O-N 3.12Å; G299-C309 CarbonylContact C-O 3.12Å; G299-C309 VanDerWaalsContact CA-O 3.24Å; G299-C309 WeakPolarHBondContact CA-O 3.47Å
300	M	88.6	Confident	77.6	Confident	27 Å²	27	71 Å²	71	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136	177.5	-56.5	-155	73.7	0	0	109.8	F274 A275 V276 Y279 N308 C309 K311 A314	F274-M300 HydrophobicContact CB-CB 4.16Å; F274-M300 HydrophobicContact CB-CE 3.84Å; F274-M300 HydrophobicContact CB-SD 4.23Å; F274-M300 HydrophobicContact CD1-CB 3.97Å; F274-M300 HydrophobicContact CG-CB 4.32Å; F274-M300 WeakPolarHBondContact O-CE 3.36Å; A275-M300 CarbonylContact O-C 3.37Å; A275-M300 WeakPolarHBondContact O-CA 3.04Å; V276-M300 HydrophobicContact CG2-CE 3.83Å; Y279-M300 PolarHBondContact OH-O 3.06Å; M300-N308 CarbonylContact O-C 3.19Å; M300-N308 WeakPolarHBondContact O-CA 3.26Å; M300-C309 PolarHBondContact N-O 2.86Å; M300-C309 PolarHBondContact O-N 3.44Å; M300-K311 HydrophobicContact CG-CB 4.34Å; M300-K311 HydrophobicContact SD-CG 4.21Å; M300-A314 HydrophobicContact SD-CB 3.98Å
301	Q	92.1	Very high	77.9	Confident	39 Å²	39	70.4 Å²	70.4	18%	0.182	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.9	173.2	-178.1	166.5	89.3	0	0	108.8	A275 H277 K303 K306 F307 N308	A275-Q301 PolarHBondContact N-O 3.08Å; A275-Q301 PolarHBondContact O-N 3.16Å; H277-Q301 HydrophobicContact CB-CB 3.67Å; H277-Q301 PolarHBondContact CE1-OE1 3.39Å; H277-Q301 VanDerWaalsContact CE1-OE1 3.23Å; H277-Q301 PolarHBondContact ND1-OE1 2.87Å; Q301-K303 PolarHBondContact O-N 2.91Å; Q301-K306 HydrophobicContact CG-CB 4.39Å; Q301-F307 CarbonylContact C-O 3.49Å; Q301-F307 WeakPolarHBondContact CA-O 3.45Å; Q301-N308 WeakPolarHBondContact CG-OD1 3.22Å; Q301-N308 PolarHBondContact NE2-OD1 3.07Å
302	C	87.3	Confident	78.1	Confident	0 Å²	0	75 Å²	75	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	123.8	166	-177.5	0	0	0	0	108.5	H272 T273 F274 D304 C305 K306 F307	H272-C302 HydrophobicContact CB-CB 4.01Å; T273-C302 PolarHBondContact N-SG 3.22Å; F274-C302 HydrophobicContact CD1-CB 4.21Å; F274-C302 HydrophobicContact CE1-CB 4.02Å; C302-D304 PolarHBondContact O-N 3.07Å; C302-D304 PolarHBondContact SG-N 3.44Å; C302-D304 PolarHBondContact SG-OD2 2.96Å; C302-D304 VanDerWaalsContact SG-OD2 3.35Å; C302-C305 VanDerWaalsContact SG-SG 3.63Å; C302-K306 WeakPolarHBondContact O-CA 3.23Å; C302-K306 PolarHBondContact O-N 3.3Å; C302-F307 HydrophobicContact CB-CB 4.03Å; C302-F307 PolarHBondContact N-O 2.91Å
303	K	82	Confident	78.5	Confident	128 Å²	128	75 Å²	75	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.7	176.1	-70	-177.1	179	-177.3	0	111.9	T273 A275 Q301 K306	T273-K303 HydrophobicContact CG2-CD 4.05Å; T273-K303 PolarHBondContact O-N 3.34Å; A275-K303 HydrophobicContact CB-CG 4.13Å; Q301-K303 PolarHBondContact O-N 2.91Å; K303-K306 PolarHBondContact O-NZ 3.18Å
304	D	79	Confident	79.7	Confident	49 Å²	49	67.4 Å²	67.4	26%	0.262	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-36.6	-161.3	-33.8	-53.6	0	0	0	111.8	T273 C302 G323 E324	T273-D304 WeakPolarHBondContact CB-OD2 3.18Å; T273-D304 PolarHBondContact N-OD2 3.41Å; T273-D304 VanDerWaalsContact N-OD2 3.09Å; T273-D304 PolarHBondContact OG1-OD2 3.32Å; C302-D304 PolarHBondContact O-N 3.07Å; C302-D304 PolarHBondContact SG-N 3.44Å; C302-D304 PolarHBondContact SG-OD2 2.96Å; C302-D304 VanDerWaalsContact SG-OD2 3.35Å; D304-G323 CarbonylContact O-C 3.55Å; D304-E324 WeakPolarHBondContact O-CA 3.4Å; D304-E324 WeakPolarHBondContact O-CB 3.32Å; D304-E324 PolarHBondContact O-N 3.35Å
305	C	80	Confident	81.1	Confident	40 Å²	40	70.1 Å²	70.1	27%	0.27	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	11.9	-179.6	67.5	0	0	0	0	114.3	H272 C302 F307	H272-C305 PolarHBondContact CE1-SG 3.45Å; H272-C305 PolarHBondContact ND1-SG 3.4Å; C302-C305 VanDerWaalsContact SG-SG 3.63Å; C305-F307 PolarHBondContact O-N 2.99Å
306	K	86.8	Confident	82.9	Confident	88 Å²	88	69.2 Å²	69.2	38%	0.383	32%	0.321	S	S	.	.			trans	56.3	14.9	-179.8	-38.3	-51.1	178	-153	0	116.2	Q301 C302 K303 N308 E324	Q301-K306 HydrophobicContact CG-CB 4.39Å; C302-K306 WeakPolarHBondContact O-CA 3.23Å; C302-K306 PolarHBondContact O-N 3.3Å; K303-K306 PolarHBondContact O-NZ 3.18Å; K306-N308 PolarHBondContact O-N 2.92Å; K306-N308 PolarHBondContact O-ND2 2.88Å; K306-N308 VanDerWaalsContact O-ND2 3.09Å; K306-N308 PolarHBondContact O-OD1 3.34Å; K306-N308 VanDerWaalsContact O-OD1 3.09Å; K306-E324 WeakPolarHBondContact CE-OE1 3.38Å; K306-E324 IonicContact NZ-OE1 3.81Å; K306-E324 PolarHBondContact NZ-OE1 2.96Å; K306-E324 IonicContact NZ-OE2 3.76Å
307	F	87.2	Confident	84.9	Confident	48 Å²	48	62.3 Å²	62.3	21%	0.211	29%	0.292	C	S	.	.			trans	-58.5	127.8	176.7	-170.6	-84.4	0	0	0	111.8	F274 Q286 Q301 C302 C305 C309 V317	F274-F307 HydrophobicContact CE1-CD1 4.03Å; F274-F307 AromaticContact CZ-CD1 3.95Å; F274-F307 HydrophobicContact CZ-CD1 3.95Å; Q286-F307 HydrophobicContact CB-CD2 4.32Å; Q286-F307 HydrophobicContact CB-CE1 4.14Å; Q286-F307 HydrophobicContact CB-CE2 3.78Å; Q286-F307 HydrophobicContact CB-CZ 3.68Å; Q286-F307 VanDerWaalsContact OE1-CA 3.31Å; Q301-F307 CarbonylContact C-O 3.49Å; Q301-F307 WeakPolarHBondContact CA-O 3.45Å; C302-F307 HydrophobicContact CB-CB 4.03Å; C302-F307 PolarHBondContact N-O 2.91Å; C305-F307 PolarHBondContact O-N 2.99Å; F307-C309 HydrophobicContact CD1-CB 4.49Å; F307-C309 HydrophobicContact CE1-CB 4.15Å; F307-V317 HydrophobicContact CD1-CG1 4.16Å; F307-V317 HydrophobicContact CE1-CB 4.46Å; F307-V317 HydrophobicContact CE1-CG1 3.67Å; F307-V317 HydrophobicContact CE1-CG2 3.84Å; F307-V317 HydrophobicContact CZ-CG1 3.99Å
308	N	90.5	Very high	85.7	Confident	26 Å²	26	57 Å²	57	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.3	-169.1	-61.7	-52.2	0	0	0	111.7	Y279 T283 Q286 M300 Q301 K306	Y279-N308 HydrophobicContact CE1-CB 4.13Å; Y279-N308 VanDerWaalsContact CE1-OD1 3.22Å; Y279-N308 WeakPolarHBondContact CE1-OD1 3.4Å; Y279-N308 WeakPolarHBondContact OH-CB 3.31Å; Y279-N308 PolarHBondContact OH-OD1 3.01Å; T283-N308 HydrophobicContact CG2-CB 4.25Å; Q286-N308 WeakPolarHBondContact CB-O 3.18Å; Q286-N308 PolarHBondContact N-O 3Å; M300-N308 CarbonylContact O-C 3.19Å; M300-N308 WeakPolarHBondContact O-CA 3.26Å; Q301-N308 WeakPolarHBondContact CG-OD1 3.22Å; Q301-N308 PolarHBondContact NE2-OD1 3.07Å; K306-N308 PolarHBondContact O-N 2.92Å; K306-N308 PolarHBondContact O-ND2 2.88Å; K306-N308 VanDerWaalsContact O-ND2 3.09Å; K306-N308 PolarHBondContact O-OD1 3.34Å; K306-N308 VanDerWaalsContact O-OD1 3.09Å
309	C	92.7	Very high	85.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	165.4	-179.3	70.4	0	0	0	0	113.8	C285 G299 M300 F307 C313 V317	C285-C309 VanDerWaalsContact SG-CA 3.52Å; G299-C309 CarbonylContact C-O 3.12Å; G299-C309 VanDerWaalsContact CA-O 3.24Å; G299-C309 WeakPolarHBondContact CA-O 3.47Å; M300-C309 PolarHBondContact N-O 2.86Å; M300-C309 PolarHBondContact O-N 3.44Å; F307-C309 HydrophobicContact CD1-CB 4.49Å; F307-C309 HydrophobicContact CE1-CB 4.15Å; C309-C313 HydrophobicContact CB-CB 4.2Å; C309-V317 HydrophobicContact CB-CG2 4.33Å
310	H	90.8	Very high	85.5	Confident	24 Å²	24	68.6 Å²	68.6	11%	0.111	33%	0.33	C	S	.	.			trans	-66.7	151.8	170.1	-61	107.6	0	0	0	110.6	C285 C288 R290 L291 L292 R312 C313 A314	C285-H310 VanDerWaalsContact CB-CE1 3.43Å; C285-H310 WeakPolarHBondContact CB-CE1 3.41Å; C285-H310 WeakPolarHBondContact CB-ND1 3.47Å; C285-H310 PolarHBondContact SG-N 2.88Å; C285-H310 PolarHBondContact SG-ND1 3.21Å; C285-H310 VanDerWaalsContact SG-ND1 3.42Å; C288-H310 VanDerWaalsContact SG-CE1 3.52Å; C288-H310 PolarHBondContact SG-ND1 3.34Å; R290-H310 PolarHBondContact O-CE1 3.33Å; R290-H310 VanDerWaalsContact O-CE1 3.29Å; L291-H310 PolarHBondContact O-NE2 3.42Å; L292-H310 HydrophobicContact CD2-CB 4.34Å; L292-H310 WeakPolarHBondContact CD2-CD2 3.26Å; H310-R312 HydrophobicContact CB-CG 3.96Å; H310-R312 PolarHBondContact O-N 2.85Å; H310-R312 VanDerWaalsContact O-N 3.11Å; H310-C313 HydrophobicContact CB-CB 4.21Å; H310-C313 WeakPolarHBondContact O-CA 3.47Å; H310-C313 WeakPolarHBondContact O-CB 3.4Å; H310-C313 PolarHBondContact O-N 3.1Å; H310-A314 PolarHBondContact O-N 2.82Å; H310-A314 VanDerWaalsContact O-N 3.12Å
311	K	86.7	Confident	85	Confident	165 Å²	165	67.9 Å²	67.9	72%	0.717	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-35	171.4	-169	-177.7	178.2	-169.7	0	113.5	M300 C313	M300-K311 HydrophobicContact CG-CB 4.34Å; M300-K311 HydrophobicContact SD-CG 4.21Å; K311-C313 VanDerWaalsContact C-N 3.35Å
312	R	86.7	Confident	83.8	Confident	176 Å²	176	72.4 Å²	72.4	66%	0.664	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-9.8	175.2	69.3	176.7	179	-178.9	-1	115.3	H310	H310-R312 HydrophobicContact CB-CG 3.96Å; H310-R312 PolarHBondContact O-N 2.85Å; H310-R312 VanDerWaalsContact O-N 3.11Å
313	C	87.9	Confident	82.7	Confident	8 Å²	8	73.7 Å²	73.7	5%	0.054	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-24	179.1	-66.9	0	0	0	0	112.2	Y287 C309 H310 K311 S315 K316 V317	Y287-C313 HydrophobicContact CD1-CB 3.73Å; Y287-C313 HydrophobicContact CE1-CB 4.49Å; Y287-C313 HydrophobicContact CG-CB 4.28Å; C309-C313 HydrophobicContact CB-CB 4.2Å; H310-C313 HydrophobicContact CB-CB 4.21Å; H310-C313 WeakPolarHBondContact O-CA 3.47Å; H310-C313 WeakPolarHBondContact O-CB 3.4Å; H310-C313 PolarHBondContact O-N 3.1Å; K311-C313 VanDerWaalsContact C-N 3.35Å; C313-S315 VanDerWaalsContact C-N 3.25Å; C313-S315 PolarHBondContact O-N 3.1Å; C313-S315 VanDerWaalsContact O-N 3.16Å; C313-K316 CarbonylContact O-C 3.6Å; C313-K316 WeakPolarHBondContact O-CA 3.49Å; C313-K316 PolarHBondContact O-N 3.25Å; C313-V317 WeakPolarHBondContact O-CG2 3.45Å; C313-V317 PolarHBondContact O-N 3.03Å
314	A	87.6	Confident	81.3	Confident	20 Å²	20	74 Å²	74	17%	0.165	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-51.9	-38.1	-177.9	0	0	0	0	0	114.1	F274 M300 H310 K316	F274-A314 HydrophobicContact CD2-CB 3.87Å; F274-A314 HydrophobicContact CE2-CB 4.2Å; F274-A314 HydrophobicContact CG-CB 4.22Å; M300-A314 HydrophobicContact SD-CB 3.98Å; H310-A314 PolarHBondContact O-N 2.82Å; H310-A314 VanDerWaalsContact O-N 3.12Å; A314-K316 VanDerWaalsContact C-N 3.26Å; A314-K316 PolarHBondContact O-N 2.81Å
315	S	81.6	Confident	79.4	Confident	111 Å²	111	76.4 Å²	76.4	78%	0.776	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-74.8	-9.7	176.2	54.1	0	0	0	0	114.9	C313	C313-S315 VanDerWaalsContact C-N 3.25Å; C313-S315 PolarHBondContact O-N 3.1Å; C313-S315 VanDerWaalsContact O-N 3.16Å
316	K	84.1	Confident	77.2	Confident	134 Å²	134	80.8 Å²	80.8	58%	0.583	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-108.8	-6.2	179.2	-53.8	-167.6	177.2	-165.5	0	113.5	Y287 C313 A314	Y287-K316 HydrophobicContact CE1-CB 3.9Å; Y287-K316 HydrophobicContact CE1-CD 4.36Å; Y287-K316 HydrophobicContact CE2-CB 4.11Å; Y287-K316 WeakPolarHBondContact CE2-O 3.48Å; Y287-K316 WeakPolarHBondContact OH-CB 3.32Å; C313-K316 CarbonylContact O-C 3.6Å; C313-K316 WeakPolarHBondContact O-CA 3.49Å; C313-K316 PolarHBondContact O-N 3.25Å; A314-K316 VanDerWaalsContact C-N 3.26Å; A314-K316 PolarHBondContact O-N 2.81Å
317	V	84.8	Confident	74.3	Confident	13 Å²	13	85.1 Å²	85.1	8%	0.079	43%	0.43	C	S	.	.	S	Bend	trans	-67.9	138.3	172.7	-172.3	0	0	0	0	108.6	F274 Y287 F307 C309 C313	F274-V317 HydrophobicContact CE2-CB 4.08Å; F274-V317 HydrophobicContact CE2-CG1 4.5Å; F274-V317 HydrophobicContact CE2-CG2 4.05Å; F274-V317 HydrophobicContact CZ-CB 4.09Å; F274-V317 HydrophobicContact CZ-CG1 4.15Å; F274-V317 HydrophobicContact CZ-CG2 3.82Å; Y287-V317 HydrophobicContact CD2-CG2 4.32Å; Y287-V317 HydrophobicContact CG-CG2 4.42Å; F307-V317 HydrophobicContact CD1-CG1 4.16Å; F307-V317 HydrophobicContact CE1-CB 4.46Å; F307-V317 HydrophobicContact CE1-CG1 3.67Å; F307-V317 HydrophobicContact CE1-CG2 3.84Å; F307-V317 HydrophobicContact CZ-CG1 3.99Å; C309-V317 HydrophobicContact CB-CG2 4.33Å; C313-V317 WeakPolarHBondContact O-CG2 3.45Å; C313-V317 PolarHBondContact O-N 3.03Å
318	P	79.7	Confident	71.6	Confident	74 Å²	74	90.9 Å²	90.9	48%	0.481	46%	0.463	S	S	.	.			trans	-56.3	165.3	171.6	-25.1	36	0	0	0	113.1	H272 D320	H272-P318 PolarHBondContact CD2-O 3Å; H272-P318 VanDerWaalsContact CD2-O 3.27Å; P318-D320 WeakPolarHBondContact CB-OD1 3.4Å
319	R	79.7	Confident	68.6	Low	178 Å²	178	92.8 Å²	92.8	67%	0.672	49%	0.489	S	S	*	.	S	Bend	trans	-105.2	59.2	-178	-63	-176.2	-179.1	-173.4	2.3	110.7	K269 V270 P271	K269-R319 CarbonylContact C-O 3.41Å; K269-R319 WeakPolarHBondContact CA-O 3.49Å; K269-R319 WeakPolarHBondContact CB-O 3.45Å; V270-R319 PolarHBondContact N-O 3.42Å; V270-R319 CarbonylContact O-C 3.6Å; P271-R319 HydrophobicContact CB-CB 4.38Å; P271-R319 HydrophobicContact CB-CG 4.06Å
320	D	79.9	Confident	65.5	Low	92 Å²	92	100.3 Å²	100.3	49%	0.492	52%	0.524	S	S	.	.			trans	-128.3	39.2	-174.6	52.8	-1.9	0	0	0	111.7	V270 H272 P318 L322	V270-D320 PolarHBondContact O-N 3.06Å; H272-D320 IonicContact NE2-OD1 3.88Å; P318-D320 WeakPolarHBondContact CB-OD1 3.4Å; D320-L322 PolarHBondContact O-N 2.77Å; D320-L322 VanDerWaalsContact O-N 3.1Å
321	C	78.4	Confident	62.5	Low	12 Å²	12	105.4 Å²	105.4	8%	0.081	56%	0.559	C	S	.	*			trans	-65	109.7	-178.7	-175.7	0	0	0	0	111.8	V270 H272 G323	V270-C321 VanDerWaalsContact O-CB 3.32Å; V270-C321 WeakPolarHBondContact O-CB 3.47Å; V270-C321 PolarHBondContact O-N 3.49Å; H272-C321 HydrophobicContact CB-CB 4.34Å; C321-G323 VanDerWaalsContact C-N 3.29Å; C321-G323 PolarHBondContact O-N 3.28Å
322	L	66.6	Low	59.5	Low	135 Å²	135	101.4 Å²	101.4	71%	0.707	55%	0.552	S	S	*	*			trans	-74	-11.3	-175.4	-58.8	178.7	0	0	0	115.2	D320 V325	D320-L322 PolarHBondContact O-N 2.77Å; D320-L322 VanDerWaalsContact O-N 3.1Å; L322-V325 WeakPolarHBondContact O-CG2 3.28Å
323	G	64.8	Low	56.6	Low	27 Å²	27	98.4 Å²	98.4	28%	0.278	56%	0.558	S	S	.	*			trans	74.8	-170	-174.3	0	0	0	0	0	114.1	D304 C321 V325	D304-G323 CarbonylContact O-C 3.55Å; C321-G323 VanDerWaalsContact C-N 3.29Å; C321-G323 PolarHBondContact O-N 3.28Å; G323-V325 PolarHBondContact O-N 2.88Å
324	E	51.7	Low	53.5	Low	135 Å²	135	106 Å²	106	63%	0.631	60%	0.597	S	S	*	*			trans	-93.6	78.1	-175.1	-163.9	155.9	-118.4	0	0	110.1	D304 K306 T326	D304-E324 WeakPolarHBondContact O-CA 3.4Å; D304-E324 WeakPolarHBondContact O-CB 3.32Å; D304-E324 PolarHBondContact O-N 3.35Å; K306-E324 WeakPolarHBondContact CE-OE1 3.38Å; K306-E324 IonicContact NZ-OE1 3.81Å; K306-E324 PolarHBondContact NZ-OE1 2.96Å; K306-E324 IonicContact NZ-OE2 3.76Å; E324-T326 PolarHBondContact O-N 3.26Å
325	V	39.8	Very low	50.5	Low	98 Å²	98	108.2 Å²	108.2	59%	0.594	62%	0.622	S	S	*	*			trans	-91.4	103.1	-174.8	-163.8	0	0	0	0	111.1	L322 G323 F327	L322-V325 WeakPolarHBondContact O-CG2 3.28Å; G323-V325 PolarHBondContact O-N 2.88Å; V325-F327 HydrophobicContact CG1-CD2 3.75Å; V325-F327 HydrophobicContact CG1-CE2 4.16Å; V325-F327 PolarHBondContact O-N 3.48Å
326	T	34.3	Very low	47.8	Very low	132 Å²	132	109.6 Å²	109.6	81%	0.81	63%	0.625	S	S	*	*			trans	-79.2	97.8	170.6	51.8	0	0	0	0	110.9	E324	E324-T326 PolarHBondContact O-N 3.26Å
327	F	25.7	Very low	45.1	Very low	179 Å²	179	110.3 Å²	110.3	79%	0.785	64%	0.636	S	S	*	*			trans	-100	114.3	166.4	-108	-85	0	0	0	110.2	V325	V325-F327 HydrophobicContact CG1-CD2 3.75Å; V325-F327 HydrophobicContact CG1-CE2 4.16Å; V325-F327 PolarHBondContact O-N 3.48Å
328	N	30.1	Very low	42.3	Very low	170 Å²	170	116.5 Å²	116.5	91%	0.909	67%	0.674	S	S	*	*			trans	-86.5	115.1	162.8	-81.7	3.7	0	0	0	108.3
329	G	27.6	Very low	39.9	Very low	65 Å²	65	120.6 Å²	120.6	67%	0.67	69%	0.692	S	S	*	*			trans	146.3	101.3	176.4	0	0	0	0	0	111.9
330	E	26.6	Very low	37.3	Very low	159 Å²	159	119.7 Å²	119.7	74%	0.743	70%	0.699	S	S	*	*			trans	-69	159.5	160.9	-68.5	-159	167.8	0	0	110.4	S332	E330-S332 WeakPolarHBondContact OE2-CB 3.48Å; E330-S332 PolarHBondContact OE2-OG 3.1Å
331	P	28.4	Very low	35.4	Very low	131 Å²	131	120.3 Å²	120.3	85%	0.851	71%	0.708	S	S	*	*				-119.7	145	100.6	33.8	-32.4	0	0	0	113.2
332	S	24	Very low	32.9	Very low	81 Å²	81	128.7 Å²	128.7	57%	0.566	75%	0.748	S	S	*	*			trans	-86.3	-174.3	-171	-24.8	0	0	0	0	113.6	E330	E330-S332 WeakPolarHBondContact OE2-CB 3.48Å; E330-S332 PolarHBondContact OE2-OG 3.1Å
333	S	24.4	Very low	31	Very low	112 Å²	112	129 Å²	129	78%	0.783	75%	0.75	S	S	*	*			trans	84.4	143	172	85.3	0	0	0	0	116.3
334	L	24.1	Very low	29.3	Very low	169 Å²	169	134.9 Å²	134.9	89%	0.885	77%	0.774	S	S	*	*			cis	-156.1	142.1	-3.2	-155.9	76.1	0	0	0	111.9
335	G	23.2	Very low	28	Very low	66 Å²	66	136 Å²	136	68%	0.68	78%	0.784	S	S	*	*			trans	67.9	162.5	153.3	0	0	0	0	0	119.6
336	T	25.7	Very low	27.5	Very low	139 Å²	139	137.2 Å²	137.2	85%	0.853	79%	0.787	S	S	*	*			cis	-156	156.3	-16.9	-56.1	0	0	0	0	107.7
337	D	27.6	Very low	27.1	Very low	150 Å²	150	138.3 Å²	138.3	80%	0.802	79%	0.788	S	S	*	*			trans	-67.8	151.5	177.3	-57.8	-75.5	0	0	0	114.8
338	T	26.4	Very low	27.3	Very low	143 Å²	143	135.8 Å²	135.8	88%	0.877	78%	0.783	S	S	*	*			trans	-169.4	130	136.7	4.3	0	0	0	0	112
339	D	28	Very low	27.3	Very low	160 Å²	160	135.4 Å²	135.4	86%	0.856	78%	0.779	S	S	*	*			trans	-87.8	137.7	155.6	-83.7	-53.3	0	0	0	109.1
340	I	25.7	Very low	27.4	Very low	159 Å²	159	139.2 Å²	139.2	82%	0.815	78%	0.784	S	S	*	*			trans	-175.8	144.5	145.2	-102.6	157.5	0	0	0	109.4
341	P	40.7	Very low	27.7	Very low	105 Å²	105	137.3 Å²	137.3	68%	0.682	79%	0.788	S	S	*	*			trans	-86.3	163.8	-175	35.4	-37	0	0	0	113.5
342	M	26.3	Very low	27.6	Very low	187 Å²	187	138 Å²	138	92%	0.921	79%	0.785	S	S	*	*			trans	-138.7	113	160.2	-74.4	-159.2	-57.6	0	0	110.7
343	D	25.8	Very low	27.9	Very low	142 Å²	142	138.8 Å²	138.8	76%	0.759	79%	0.79	S	S	*	*			trans	-68.8	169.7	138.6	-43.7	-79.6	0	0	0	107.8
344	I	29.3	Very low	28.3	Very low	151 Å²	151	137.4 Å²	137.4	77%	0.774	78%	0.78	S	S	*	*			cis	-152.9	152	29.7	-110.5	133.5	0	0	0	105.3
345	D	24.8	Very low	28.7	Very low	157 Å²	157	140.8 Å²	140.8	84%	0.84	78%	0.782	S	S	*	*				-158.8	144.4	124.7	-131.6	-23.9	0	0	0	113.1
346	N	28.3	Very low	29	Very low	124 Å²	124	140.5 Å²	140.5	66%	0.663	78%	0.779	S	S	*	*			trans	-113.2	156.8	-175.7	-130.1	17.3	0	0	0	109.5
347	N	26.8	Very low	29.4	Very low	156 Å²	156	141 Å²	141	83%	0.834	78%	0.775	S	S	*	*			trans	-159.2	139.4	148.4	-110.8	-77.3	0	0	0	109.3
348	D	30	Very low	29.6	Very low	126 Å²	126	140.4 Å²	140.4	67%	0.674	77%	0.772	S	S	*	*			trans	-81.9	161.9	-162.7	-53.8	-76.5	0	0	0	114.2
349	I	30.3	Very low	29.7	Very low	162 Å²	162	140.6 Å²	140.6	83%	0.831	77%	0.768	S	S	*	*				-170.3	133.1	109.4	-96.8	160	0	0	0	112.6
350	N	29	Very low	29.8	Very low	145 Å²	145	137.7 Å²	137.7	78%	0.775	76%	0.756	S	S	*	*			trans	-12.4	138.8	170.8	-58.5	-13.8	0	0	0	121.1
351	S	32.2	Very low	30	Very low	119 Å²	119	138.6 Å²	138.6	83%	0.832	76%	0.757	S	S	*	*				-158.8	87.9	109.5	39.5	0	0	0	0	113.4
352	D	27.2	Very low	29.3	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	76%	0.762	S	S	*	*			trans	33.5	147.6	139	-145.3	-23	0	0	0	123
353	S	30.4	Very low	29.2	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	75%	0.75	S	S	*	*			trans	82.3	140.7	155	-69.9	0	0	0	0	121.2
354	S	33	Very low	29.4	Very low	82 Å²	82	135.9 Å²	135.9	57%	0.573	75%	0.751	S	S	*	*			cis	-175.8	123	-29.5	-116.5	0	0	0	0	111.9
355	R	33.1	Very low	30.6	Very low	241 Å²	241	134.1 Å²	134.1	91%	0.909	75%	0.749	S	S	*	*			trans	64.1	157.3	158.1	-54.1	168.3	-175.4	155.4	3.2	116.7
356	G	27.9	Very low	31.5	Very low	60 Å²	60	131.2 Å²	131.2	62%	0.619	74%	0.739	S	S	*	*			cis	-138	172.3	-7	0	0	0	0	0	110.3
357	L	35.4	Very low	31.6	Very low	150 Å²	150	133.9 Å²	133.9	79%	0.785	75%	0.747	S	S	*	*				60.6	124.5	65.2	-57.8	178.1	0	0	0	112.4
358	D	30.4	Very low	31.8	Very low	136 Å²	136	131.6 Å²	131.6	73%	0.727	74%	0.735	S	S	*	*			cis	-150.3	-164.2	-7.7	-75.7	-47.2	0	0	0	107
359	D	29.4	Very low	31.8	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	74%	0.739	S	S	*	*			cis	-157.5	-146.1	12.4	-156.9	-1.4	0	0	0	113.2
360	T	29.8	Very low	31.6	Very low	100 Å²	100	132.9 Å²	132.9	61%	0.613	73%	0.733	S	S	*	*			trans	-142.5	164.3	-141.1	-53.9	0	0	0	0	115.8
361	E	30	Very low	31.4	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	73%	0.732	S	S	*	*			trans	64.1	178.2	161.4	-83	159.3	-153.3	0	0	120.2
362	E	26.5	Very low	31.3	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.804	73%	0.726	S	S	*	*				-159.1	163.8	-68.4	-146.8	-162.8	165.8	0	0	113.2
363	S	24.6	Very low	31.2	Very low	95 Å²	95	137 Å²	137	66%	0.664	73%	0.729	S	S	*	*			trans	78.3	111.6	149.3	76	0	0	0	0	124.7
364	S	28.3	Very low	30.9	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	73%	0.734	S	S	*	*			trans	49.3	175.8	130.9	79.7	0	0	0	0	123.3
365	P	54.6	Low	31.6	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	73%	0.734	S	S	*	*			cis	-120.1	-120.3	-11	33	-9.9	0	0	0	110.7
366	P	43.6	Very low	31.3	Very low	96 Å²	96	132.9 Å²	132.9	62%	0.623	72%	0.724	S	S	*	*			cis	-130.8	164.7	-43.5	36.1	-18.2	0	0	0	117.4
367	E	30.6	Very low	31.5	Very low	180 Å²	180	136.5 Å²	136.5	84%	0.841	73%	0.729	S	S	*	*			trans	60.4	160.7	144	-66.3	169.8	178.7	0	0	121.1
368	D	31	Very low	31.3	Very low	108 Å²	108	136.3 Å²	136.3	58%	0.578	73%	0.728	S	S	*	*			cis	-162.3	162.3	21.9	-155.8	-9.5	0	0	0	115.7
369	K	31.1	Very low	31.2	Very low	175 Å²	175	136.8 Å²	136.8	76%	0.761	73%	0.73	S	S	*	*			trans	67.2	167.2	155.7	-83.9	144.9	-164.2	150.2	0	124.7
370	M	26.3	Very low	31.1	Very low	141 Å²	141	135.3 Å²	135.3	70%	0.695	73%	0.727	S	S	*	*				-163.2	-178.8	-102.4	-151.8	-167.9	-176	0	0	112.8	F372	M370-F372 HydrophobicContact CE-CE2 4.18Å
371	F	24.9	Very low	31	Very low	174 Å²	174	138.5 Å²	138.5	76%	0.763	73%	0.734	S	S	*	*			trans	83.7	144.3	168	-62.5	-89.9	0	0	0	120
372	F	28.5	Very low	31	Very low	159 Å²	159	140.8 Å²	140.8	70%	0.697	74%	0.735	S	S	*	*			cis	-172.8	161.7	-33.6	-134.8	-82.8	0	0	0	111.2	M370	M370-F372 HydrophobicContact CE-CE2 4.18Å
373	L	25.6	Very low	31	Very low	162 Å²	162	138.9 Å²	138.9	85%	0.848	73%	0.731	S	S	*	*			trans	116.9	136.9	156.9	-71.5	163.9	0	0	0	119
374	D	23.9	Very low	31.2	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	74%	0.739	S	S	*	*			trans	-151.9	-167.7	-173.1	-153.8	33.7	0	0	0	105
375	P	47.9	Very low	31.2	Very low	91 Å²	91	146.9 Å²	146.9	59%	0.591	75%	0.746	S	S	*	*			cis	-143.6	-165	5.7	44.6	-23.4	0	0	0	117.2
376	S	27.9	Very low	29.8	Very low	98 Å²	98	145.6 Å²	145.6	69%	0.685	74%	0.744	S	S	*	*			trans	102.1	135	145.5	73.3	0	0	0	0	120.6
377	D	31.3	Very low	29	Very low	136 Å²	136	148.8 Å²	148.8	73%	0.727	75%	0.754	S	S	*	*			cis	-166.8	169.5	-19.9	-107.8	-39.7	0	0	0	113
378	L	30.2	Very low	28.8	Very low	146 Å²	146	149.3 Å²	149.3	76%	0.764	75%	0.754	S	S	*	*			trans	74.1	109.8	170.2	-43.7	-176.1	0	0	0	116.5
379	D	28.5	Very low	28.5	Very low	145 Å²	145	150.6 Å²	150.6	78%	0.775	77%	0.766	S	S	*	*				78.8	140.7	59.6	-71.8	-42.5	0	0	0	114.3
380	V	29.1	Very low	28.3	Very low	117 Å²	117	150.1 Å²	150.1	71%	0.709	77%	0.77	S	S	*	*			cis	-147.9	138.8	42.4	165.1	0	0	0	0	113.5
381	E	27	Very low	28.1	Very low	166 Å²	166	148 Å²	148	78%	0.776	77%	0.769	S	S	*	*			trans	49	133	153.6	-66.8	172.5	170.1	0	0	121.6
382	R	30.6	Very low	28.3	Very low	225 Å²	225	145.9 Å²	145.9	85%	0.849	77%	0.773	S	S	*	*				80.4	145.7	53.2	-70.8	-170.7	-168.8	-161.9	5.5	114.2
383	D	25.8	Very low	28.2	Very low	132 Å²	132	143 Å²	143	71%	0.706	77%	0.773	S	S	*	*			cis	-119.7	142.9	12.4	-81.4	-41.4	0	0	0	112.6
384	E	29.4	Very low	28.2	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	77%	0.771	S	S	*	*				59.3	116.5	92.6	-66.9	-135.9	112	0	0	119.1
385	E	26.4	Very low	28.5	Very low	196 Å²	196	138 Å²	138	92%	0.916	76%	0.757	S	S	*	*				-156.6	127.8	118.2	-130.5	-172.6	172.4	0	0	113.8
386	A	25.6	Very low	27.8	Very low	86 Å²	86	140.7 Å²	140.7	71%	0.711	77%	0.766	S	S	*	*			trans	-0.1	115.2	172.3	0	0	0	0	0	122.4
387	I	27.3	Very low	28.3	Very low	163 Å²	163	137.9 Å²	137.9	84%	0.836	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-79	129.6	153.6	-65.2	171.2	0	0	0	109.7
388	K	25.6	Very low	28.7	Very low	192 Å²	192	132 Å²	132	84%	0.835	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-99.4	120.2	164.9	-83.4	-176.9	176.2	173.7	0	111.4
389	T	26.2	Very low	29.1	Very low	135 Å²	135	127.9 Å²	127.9	83%	0.828	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-71.3	142.8	173.5	41.7	0	0	0	0	111.8
390	I	25.4	Very low	29.4	Very low	164 Å²	164	121.2 Å²	121.2	84%	0.841	66%	0.658	S	S	*	*			trans	-132.8	134.9	167.5	-60.6	-178.8	0	0	0	107.8
391	S	23.1	Very low	29.6	Very low	97 Å²	97	122.8 Å²	122.8	68%	0.678	66%	0.659	S	S	*	*			trans	-67.3	146.5	-169.7	-49.7	0	0	0	0	114.1	S393	S391-S393 PolarHBondContact O-N 3.21Å
392	P	29.6	Very low	30.1	Very low	130 Å²	130	123.6 Å²	123.6	84%	0.844	66%	0.655	S	S	*	*			trans	-72.9	111.5	175.2	29.8	-33.6	0	0	0	110.6
393	S	24.7	Very low	30.5	Very low	99 Å²	99	113.4 Å²	113.4	69%	0.692	62%	0.618	S	S	*	*			trans	-151.8	142.5	177.4	-80.2	0	0	0	0	112.6	S391	S391-S393 PolarHBondContact O-N 3.21Å
394	T	26.4	Very low	30.8	Very low	134 Å²	134	109.1 Å²	109.1	82%	0.822	60%	0.597	S	S	*	*			trans	64.3	109.7	-178.3	64.9	0	0	0	0	116.4
395	S	30.7	Very low	30.8	Very low	67 Å²	67	105.4 Å²	105.4	47%	0.469	58%	0.58	S	S	.	*			trans	-84.5	113.2	-178.9	54.1	0	0	0	0	112.7	N397	S395-N397 PolarHBondContact O-N 3.31Å; S395-N397 PolarHBondContact O-ND2 3.34Å
396	N	34	Very low	31.1	Very low	148 Å²	148	99.8 Å²	99.8	79%	0.791	56%	0.562	S	S	*	*			trans	-71.3	89.8	177	-74.4	-35.2	0	0	0	112.2
397	N	36.8	Very low	31.7	Very low	39 Å²	39	99.9 Å²	99.9	21%	0.209	55%	0.549	C	S	.	.			trans	-103.8	140.5	171.1	-75.6	-105.4	0	0	0	110.2	S395 P399 T773 P794	S395-N397 PolarHBondContact O-N 3.31Å; S395-N397 PolarHBondContact O-ND2 3.34Å; N397-P399 WeakPolarHBondContact O-CD 3.5Å; N397-T773 HydrophobicContact CB-CG2 4.1Å; N397-P794 WeakPolarHBondContact OD1-CG 3.38Å
398	I	41	Very low	31.8	Very low	13 Å²	13	97.5 Å²	97.5	7%	0.067	53%	0.533	C	S	.	.			trans	-76.2	114.6	-175.7	-57.7	178.7	0	0	0	110	T773 E778	I398-T773 WeakPolarHBondContact O-CA 3.14Å; I398-T773 WeakPolarHBondContact O-CB 3.21Å; I398-T773 WeakPolarHBondContact O-CG2 3.48Å; I398-E778 HydrophobicContact CD1-CB 3.77Å; I398-E778 HydrophobicContact CD1-CG 3.65Å
399	P	37.1	Very low	32.1	Very low	59 Å²	59	96 Å²	96	38%	0.383	53%	0.528	S	S	.	.	B	Isolated β-bridge	trans	-75.6	137	177.5	-12.2	29.7	0	0	0	110.7	N397 M401 R402	N397-P399 WeakPolarHBondContact O-CD 3.5Å; P399-M401 PolarHBondContact O-N 3.15Å; P399-R402 PolarHBondContact O-N 2.91Å
400	L	36.4	Very low	32.1	Very low	5 Å²	5	95 Å²	95	3%	0.026	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-48.6	-32.3	179.9	-146.2	62.5	0	0	0	113.6	R402 V403 L660 I663 L664 V768 G772 F774	L400-R402 PolarHBondContact O-N 2.88Å; L400-R402 VanDerWaalsContact O-N 3.09Å; L400-V403 WeakPolarHBondContact O-CB 3.43Å; L400-V403 PolarHBondContact O-N 3.1Å; L400-L660 HydrophobicContact CD1-CD1 4.29Å; L400-L660 HydrophobicContact CD2-CD1 3.97Å; L400-L660 HydrophobicContact CG-CD1 4.32Å; L400-I663 HydrophobicContact CD2-CB 4.28Å; L400-I663 HydrophobicContact CD2-CG2 3.44Å; L400-I663 VanDerWaalsContact CD2-CG2 3.44Å; L400-L664 HydrophobicContact CB-CD2 3.99Å; L400-L664 HydrophobicContact CD2-CD2 3.7Å; L400-L664 HydrophobicContact CD2-CG 3.88Å; L400-L664 HydrophobicContact CG-CD2 3.77Å; L400-L664 HydrophobicContact CG-CG 4.32Å; L400-V768 HydrophobicContact CD1-CG1 3.96Å; L400-G772 WeakPolarHBondContact CB-O 2.99Å; L400-G772 PolarHBondContact N-O 2.99Å; L400-F774 HydrophobicContact CD1-CE2 4.04Å
401	M	33.1	Very low	32.2	Very low	150 Å²	150	96.7 Å²	96.7	74%	0.739	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-57.4	-17.3	176	-67.8	177.2	63.1	0	0	115.6	P399	P399-M401 PolarHBondContact O-N 3.15Å
402	R	36.4	Very low	32.5	Very low	183 Å²	183	104 Å²	104	69%	0.691	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-77.9	-20.4	172.7	-83.3	-173.3	176.1	156.9	0.6	113.5	P399 L400	P399-R402 PolarHBondContact O-N 2.91Å; L400-R402 PolarHBondContact O-N 2.88Å; L400-R402 VanDerWaalsContact O-N 3.09Å
403	V	39.6	Very low	32.7	Very low	12 Å²	12	106.5 Å²	106.5	7%	0.073	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-41	-157.2	-174.2	0	0	0	0	113.6	G177 L178 L400 F774	G177-V403 WeakPolarHBondContact CA-O 3.21Å; G177-V403 PolarHBondContact N-O 2.91Å; L178-V403 HydrophobicContact CD1-CG1 4.24Å; L178-V403 HydrophobicContact CD2-CB 4.33Å; L178-V403 HydrophobicContact CD2-CG1 3.66Å; L178-V403 HydrophobicContact CD2-CG2 4.08Å; L178-V403 HydrophobicContact CG-CG1 3.73Å; L400-V403 WeakPolarHBondContact O-CB 3.43Å; L400-V403 PolarHBondContact O-N 3.1Å; V403-F774 HydrophobicContact CG1-CE2 4.38Å; V403-F774 HydrophobicContact CG2-CE2 4.12Å
404	V	32.2	Very low	33.4	Very low	42 Å²	42	107 Å²	107	26%	0.255	54%	0.537	S	S	.	.			trans	-131.9	121.9	-168.2	-173.3	0	0	0	0	114.6	S406 L660 L664	V404-S406 WeakPolarHBondContact CG1-OG 3.1Å; V404-L660 HydrophobicContact CG2-CD2 3.96Å; V404-L664 HydrophobicContact CB-CD1 4.49Å
405	Q	28.2	Very low	34.7	Very low	100 Å²	100	102.9 Å²	102.9	47%	0.467	51%	0.514	S	S	.	.			trans	-132.3	40.7	149	-73.6	-165.2	-0.7	0	0	111.6
406	S	34.7	Very low	36.1	Very low	77 Å²	77	104.8 Å²	104.8	54%	0.538	52%	0.523	S	S	.	.	S	Bend	trans	-71.1	149.3	147.5	49.7	0	0	0	0	108.6	V404	V404-S406 WeakPolarHBondContact CG1-OG 3.1Å
407	I	37.5	Very low	37.8	Very low	88 Å²	88	102.2 Å²	102.2	45%	0.451	51%	0.508	S	S	.	.			trans	52.9	58.6	-172.3	-38.1	178.5	0	0	0	112.3	H409 L582	I407-H409 PolarHBondContact O-N 3.02Å; I407-L582 VanDerWaalsContact CD1-O 3.3Å; I407-L582 WeakPolarHBondContact CD1-O 3.35Å
408	K	28.2	Very low	39.9	Very low	114 Å²	114	104 Å²	104	50%	0.496	52%	0.519	S	S	.	.			trans	-61.9	120.4	136.2	-73.6	-169.9	-174.6	75.2	0	106.1	T410	K408-T410 VanDerWaalsContact C-N 3.32Å; K408-T410 PolarHBondContact O-N 2.63Å
409	H	33	Very low	42	Very low	159 Å²	159	105.9 Å²	105.9	74%	0.736	53%	0.527	S	S	*	.			trans	-52.1	106.3	149.1	-79.3	-63.5	0	0	0	107.2	I407 K411	I407-H409 PolarHBondContact O-N 3.02Å; H409-K411 PolarHBondContact O-N 2.82Å
410	T	26.5	Very low	44.6	Very low	114 Å²	114	106.8 Å²	106.8	70%	0.699	53%	0.526	S	S	*	.			trans	-62.4	111.1	170.6	45.9	0	0	0	0	106.5	K408 R412	K408-T410 VanDerWaalsContact C-N 3.32Å; K408-T410 PolarHBondContact O-N 2.63Å; T410-R412 PolarHBondContact O-N 2.7Å
411	K	27.1	Very low	47.1	Very low	200 Å²	200	107.3 Å²	107.3	87%	0.87	53%	0.533	S	S	*	.			trans	-37.9	117	172	-87.7	-164.9	168.6	-161.7	0	108.1	H409 K413	H409-K411 PolarHBondContact O-N 2.82Å; K411-K413 PolarHBondContact O-N 2.94Å
412	R	29.5	Very low	49.6	Very low	251 Å²	251	103 Å²	103	95%	0.947	51%	0.508	S	S	*	.			trans	-33.1	99.8	-168.4	-68.9	-177.6	-178.2	175.2	-0.1	110.4	T410	T410-R412 PolarHBondContact O-N 2.7Å
413	K	33.9	Very low	52.1	Low	183 Å²	183	94.2 Å²	94.2	80%	0.796	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-62.3	140	159.2	-89	-169.2	168.9	-171.4	0	105.2	K411 S415	K411-K413 PolarHBondContact O-N 2.94Å; K413-S415 PolarHBondContact O-N 3.03Å
414	S	38.9	Very low	54.4	Low	108 Å²	108	94.2 Å²	94.2	76%	0.755	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-50.1	136.6	160.7	50.3	0	0	0	0	107.8	T416	S414-T416 PolarHBondContact O-N 2.96Å
415	S	53.9	Low	57.2	Low	49 Å²	49	92.3 Å²	92.3	34%	0.343	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-49.2	135.9	173.5	39.1	0	0	0	0	109.5	K413 M417 D441	K413-S415 PolarHBondContact O-N 3.03Å; S415-M417 PolarHBondContact O-N 3.31Å; S415-D441 WeakPolarHBondContact CB-OD2 3.49Å; S415-D441 PolarHBondContact OG-OD2 2.89Å
416	T	60.7	Low	60.1	Low	107 Å²	107	88.1 Å²	88.1	66%	0.656	44%	0.443	S	S	*	.			trans	-73.8	103	179.8	45.6	0	0	0	0	108.1	S414 V418	S414-T416 PolarHBondContact O-N 2.96Å; T416-V418 PolarHBondContact O-N 3.02Å
417	M	70.2	Confident	62.7	Low	94 Å²	94	84.7 Å²	84.7	46%	0.463	42%	0.42	S	S	.	.			trans	-53.4	122.9	176.3	-172.2	164.9	68.1	0	0	109.9	S415 E420 R439	S415-M417 PolarHBondContact O-N 3.31Å; M417-E420 HydrophobicContact CE-CB 4.44Å; M417-E420 HydrophobicContact CE-CG 4.03Å; M417-E420 WeakPolarHBondContact CE-OE1 3.27Å; M417-E420 HydrophobicContact SD-CB 3.96Å; M417-E420 HydrophobicContact SD-CG 4.21Å; M417-R439 HydrophobicContact SD-CB 4.44Å; M417-R439 HydrophobicContact SD-CG 4.12Å
418	V	79.6	Confident	65	Low	75 Å²	75	83.2 Å²	83.2	46%	0.455	42%	0.417	S	S	.	.			trans	-89	-41.1	-173.8	177.9	0	0	0	0	110.5	T416 L440	T416-V418 PolarHBondContact O-N 3.02Å; V418-L440 HydrophobicContact CB-CD2 4.2Å; V418-L440 HydrophobicContact CB-CG 4.12Å; V418-L440 HydrophobicContact CG1-CD2 4.06Å; V418-L440 PolarHBondContact N-O 3.24Å
419	K	86.1	Confident	67.8	Low	53 Å²	53	86.2 Å²	86.2	23%	0.23	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	142.7	179.4	-169.1	177.6	172.4	86.9	0	109.6	L440 S522 W523 A526	K419-L440 PolarHBondContact N-O 3.2Å; K419-L440 PolarHBondContact O-N 2.82Å; K419-S522 PolarHBondContact NZ-OG 2.71Å; K419-W523 HydrophobicContact CB-CH2 4.16Å; K419-W523 HydrophobicContact CB-CZ3 4.08Å; K419-W523 HydrophobicContact CD-CD2 3.66Å; K419-W523 HydrophobicContact CD-CE3 3.72Å; K419-W523 HydrophobicContact CD-CG 4.19Å; K419-W523 HydrophobicContact CD-CH2 4.21Å; K419-W523 HydrophobicContact CD-CZ2 4.16Å; K419-W523 HydrophobicContact CD-CZ3 4Å; K419-W523 HydrophobicContact CG-CD2 4.38Å; K419-W523 HydrophobicContact CG-CE3 4.29Å; K419-W523 HydrophobicContact CG-CH2 3.89Å; K419-W523 HydrophobicContact CG-CZ2 3.99Å; K419-W523 HydrophobicContact CG-CZ3 4.05Å; K419-A526 HydrophobicContact CB-CB 4.41Å; K419-A526 HydrophobicContact CD-CB 3.63Å
420	E	90.5	Very high	70.2	Confident	79 Å²	79	81 Å²	81	37%	0.369	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	164	166.8	72.2	-178.4	150.3	0	0	111.8	M417 Y437 W438 R439	M417-E420 HydrophobicContact CE-CB 4.44Å; M417-E420 HydrophobicContact CE-CG 4.03Å; M417-E420 WeakPolarHBondContact CE-OE1 3.27Å; M417-E420 HydrophobicContact SD-CB 3.96Å; M417-E420 HydrophobicContact SD-CG 4.21Å; E420-Y437 HydrophobicContact CB-CE1 3.9Å; E420-Y437 HydrophobicContact CG-CE1 4.11Å; E420-Y437 WeakPolarHBondContact OE2-CE1 3.49Å; E420-Y437 PolarHBondContact OE2-OH 2.96Å; E420-W438 CarbonylContact C-O 3.5Å; E420-W438 WeakPolarHBondContact CA-O 3.2Å; E420-R439 HydrophobicContact CB-CG 3.87Å; E420-R439 IonicContact OE2-CZ 2.78Å; E420-R439 IonicContact OE2-NE 3.17Å; E420-R439 PolarHBondContact OE2-NE 3.34Å; E420-R439 IonicContact OE2-NH2 2.67Å; E420-R439 PolarHBondContact OE2-NH2 3.4Å
421	G	88.6	Confident	72.8	Confident	16 Å²	16	79 Å²	79	17%	0.165	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.8	172.7	178.3	0	0	0	0	0	113.6	W438	G421-W438 PolarHBondContact N-O 3.46Å; G421-W438 PolarHBondContact O-N 3.28Å
422	W	86.7	Confident	75.5	Confident	58 Å²	58	75.3 Å²	75.3	22%	0.22	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	142.6	-180	-68.8	101	0	0	0	112.9	R435 Y437 G514	W422-R435 VanDerWaalsContact CD1-NH2 3.33Å; W422-R435 VanDerWaalsContact CD2-CZ 3.44Å; W422-R435 HydrophobicContact CE3-CG 3.9Å; W422-R435 VanDerWaalsContact CE3-NH1 3.25Å; W422-R435 VanDerWaalsContact CG-CZ 3.49Å; W422-R435 HydrophobicContact CZ3-CG 4.44Å; W422-Y437 AromaticContact CD1-CD2 3.85Å; W422-Y437 AromaticContact CD2-CD2 3.83Å; W422-Y437 HydrophobicContact CD2-CD2 3.83Å; W422-Y437 AromaticContact CE2-CD2 3.65Å; W422-Y437 HydrophobicContact CE3-CD2 4.49Å; W422-Y437 AromaticContact CG-CD2 3.99Å; W422-Y437 HydrophobicContact CG-CD2 3.99Å; W422-Y437 HydrophobicContact CZ2-CD2 4.17Å; W422-Y437 AromaticContact NE1-CD2 3.62Å; W422-G514 WeakPolarHBondContact O-CA 3.26Å
423	M	88.8	Confident	78.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.6	169	-79.6	-59.7	-71.4	0	0	111.8	R435 H436 W438 F486 V497 V519 A520 W523	M423-R435 WeakPolarHBondContact O-CA 3.34Å; M423-H436 PolarHBondContact N-O 2.83Å; M423-H436 PolarHBondContact O-N 2.95Å; M423-W438 HydrophobicContact CB-CD2 3.62Å; M423-W438 HydrophobicContact CB-CE3 4.05Å; M423-W438 HydrophobicContact CB-CG 3.87Å; M423-W438 HydrophobicContact CB-CZ2 4.29Å; M423-W438 HydrophobicContact CG-CD2 3.96Å; M423-W438 HydrophobicContact CG-CE3 3.94Å; M423-W438 HydrophobicContact CG-CG 4.27Å; M423-F486 HydrophobicContact CE-CE1 4.44Å; M423-V497 HydrophobicContact CE-CG1 3.48Å; M423-V497 VanDerWaalsContact CE-CG1 3.48Å; M423-V519 HydrophobicContact SD-CG1 4Å; M423-A520 HydrophobicContact CE-CB 4.4Å; M423-W523 HydrophobicContact CG-CD2 4.09Å; M423-W523 HydrophobicContact CG-CG 3.98Å; M423-W523 HydrophobicContact CG-CZ2 4.46Å; M423-W523 HydrophobicContact SD-CG 3.95Å
424	V	88.4	Confident	80.6	Confident	11 Å²	11	60.6 Å²	60.6	7%	0.067	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.6	169.9	-176.3	0	0	0	0	109.6	R433 R435 G498 E499 V515	V424-R433 HydrophobicContact CG1-CB 4.12Å; V424-R435 HydrophobicContact CG2-CB 4.27Å; V424-R435 HydrophobicContact CG2-CG 4.18Å; V424-G498 PolarHBondContact O-N 3.21Å; V424-E499 HydrophobicContact CB-CG 4.15Å; V424-E499 HydrophobicContact CG1-CG 4.05Å; V424-V515 HydrophobicContact CG2-CG2 4.35Å
425	H	89.8	Confident	82.9	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.6	173.3	72.2	108.3	0	0	0	112.3	K434 H436 W438 L447 Y495 F496 V497	H425-K434 PolarHBondContact CD2-O 3.17Å; H425-K434 PolarHBondContact N-O 3.4Å; H425-K434 VanDerWaalsContact N-O 3.12Å; H425-K434 PolarHBondContact O-N 3.05Å; H425-H436 AromaticContact CD2-ND1 3.91Å; H425-H436 AromaticContact NE2-CE1 3.92Å; H425-H436 AromaticContact NE2-CG 3.94Å; H425-H436 AromaticContact NE2-ND1 3.18Å; H425-H436 PolarHBondContact NE2-ND1 3.16Å; H425-H436 VanDerWaalsContact NE2-ND1 3.18Å; H425-W438 HydrophobicContact CB-CZ2 3.97Å; H425-W438 AromaticContact CD2-NE1 3.93Å; H425-L447 WeakPolarHBondContact NE2-CD2 3.35Å; H425-Y495 AromaticContact ND1-CD1 3.87Å; H425-F496 CarbonylContact C-O 3.48Å; H425-F496 WeakPolarHBondContact CA-O 3.42Å; H425-F496 WeakPolarHBondContact CB-O 3.41Å; H425-V497 HydrophobicContact CB-CG2 4.44Å
426	Y	88.9	Confident	84.7	Confident	12 Å²	12	58.9 Å²	58.9	5%	0.047	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	177.6	164.5	64.1	-80.4	0	0	0	109.1	R433 H484 Y495 F496	Y426-R433 HydrophobicContact CD1-CG 4.05Å; Y426-R433 HydrophobicContact CG-CG 4.46Å; Y426-H484 HydrophobicContact CE1-CB 4.27Å; Y426-H484 PolarHBondContact OH-ND1 3.12Å; Y426-Y495 WeakPolarHBondContact O-CA 3.18Å; Y426-F496 HydrophobicContact CD1-CB 3.83Å; Y426-F496 HydrophobicContact CD2-CB 4Å; Y426-F496 AromaticContact CD2-CD2 3.58Å; Y426-F496 HydrophobicContact CD2-CD2 3.58Å; Y426-F496 HydrophobicContact CD2-CE2 4.43Å; Y426-F496 HydrophobicContact CD2-CG 4.11Å; Y426-F496 HydrophobicContact CE1-CB 3.45Å; Y426-F496 VanDerWaalsContact CE1-CB 3.45Å; Y426-F496 HydrophobicContact CE1-CG 4.31Å; Y426-F496 HydrophobicContact CE2-CB 3.64Å; Y426-F496 AromaticContact CE2-CD2 3.36Å; Y426-F496 HydrophobicContact CE2-CD2 3.36Å; Y426-F496 HydrophobicContact CE2-CE2 4.1Å; Y426-F496 AromaticContact CE2-CG 3.6Å; Y426-F496 HydrophobicContact CE2-CG 3.6Å; Y426-F496 HydrophobicContact CG-CB 4.08Å; Y426-F496 HydrophobicContact CG-CD2 4.37Å; Y426-F496 AromaticContact CZ-CD2 3.98Å; Y426-F496 AromaticContact CZ-CG 3.7Å; Y426-F496 PolarHBondContact N-O 3.05Å; Y426-F496 PolarHBondContact O-N 3.18Å
427	T	89.6	Confident	86	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	158.1	-169.5	65.7	0	0	0	0	113.9	R429 D430 N431 M493 V494 Y495	T427-R429 PolarHBondContact O-N 3.21Å; T427-D430 PolarHBondContact N-O 3.34Å; T427-D430 CarbonylContact O-C 3.52Å; T427-D430 PolarHBondContact O-N 2.96Å; T427-D430 PolarHBondContact OG1-N 3.24Å; T427-D430 PolarHBondContact OG1-O 3.37Å; T427-N431 PolarHBondContact O-OD1 3.32Å; T427-M493 VanDerWaalsContact CB-CE 3.49Å; T427-M493 HydrophobicContact CG2-CE 4.09Å; T427-M493 HydrophobicContact CG2-CG 4.43Å; T427-M493 WeakPolarHBondContact OG1-CE 3.41Å; T427-V494 CarbonylContact C-O 3.54Å; T427-V494 WeakPolarHBondContact CA-O 3.23Å; T427-Y495 HydrophobicContact CG2-CD1 3.51Å; T427-Y495 HydrophobicContact CG2-CE1 3.77Å; T427-Y495 HydrophobicContact CG2-CG 4.19Å
428	S	86.5	Confident	87	Confident	57 Å²	57	49.9 Å²	49.9	40%	0.399	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	2.2	179.7	62.5	0	0	0	0	116.4	V494	S428-V494 PolarHBondContact N-O 3.43Å; S428-V494 PolarHBondContact OG-N 2.86Å
429	R	85.8	Confident	87.5	Confident	177 Å²	177	49.1 Å²	49.1	67%	0.668	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-4.4	170.4	-49	-176.7	-167.2	-154.3	2.9	113.1	T427 T492 M493	T427-R429 PolarHBondContact O-N 3.21Å; R429-T492 PolarHBondContact NE-O 3.32Å; R429-T492 PolarHBondContact NH2-O 3.29Å; R429-M493 HydrophobicContact CB-CE 3.66Å; R429-M493 HydrophobicContact CB-SD 4.4Å; R429-M493 HydrophobicContact CG-CE 3.67Å; R429-M493 HydrophobicContact CG-SD 3.74Å; R429-M493 PolarHBondContact NE-SD 2.87Å; R429-M493 VanDerWaalsContact NE-SD 3.43Å
430	D	83.6	Confident	87.6	Confident	48 Å²	48	46.6 Å²	46.6	26%	0.257	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	103.3	-176.7	-177.3	2	0	0	0	109.3	T427 L432 K434	T427-D430 PolarHBondContact N-O 3.34Å; T427-D430 CarbonylContact O-C 3.52Å; T427-D430 PolarHBondContact O-N 2.96Å; T427-D430 PolarHBondContact OG1-N 3.24Å; T427-D430 PolarHBondContact OG1-O 3.37Å; D430-L432 VanDerWaalsContact C-N 3.26Å; D430-L432 PolarHBondContact O-N 2.9Å; D430-L432 VanDerWaalsContact OD1-CB 3.3Å; D430-L432 WeakPolarHBondContact OD1-CB 3.46Å; D430-L432 PolarHBondContact OD1-N 2.91Å; D430-K434 WeakPolarHBondContact OD2-CE 3.47Å; D430-K434 IonicContact OD2-NZ 3.27Å; D430-K434 PolarHBondContact OD2-NZ 2.93Å
431	N	81.3	Confident	87.2	Confident	72 Å²	72	44 Å²	44	39%	0.385	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	0.2	-177.5	-64.8	-7.2	0	0	0	112.8	T427 R433 N476	T427-N431 PolarHBondContact O-OD1 3.32Å; N431-R433 PolarHBondContact O-N 2.89Å; N431-N476 PolarHBondContact ND2-OD1 3.37Å
432	L	83.9	Confident	86.4	Confident	123 Å²	123	44.1 Å²	44.1	64%	0.644	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	119.3	170.8	-74.2	160.9	0	0	0	109.7	D430 K434	D430-L432 VanDerWaalsContact C-N 3.26Å; D430-L432 PolarHBondContact O-N 2.9Å; D430-L432 VanDerWaalsContact OD1-CB 3.3Å; D430-L432 WeakPolarHBondContact OD1-CB 3.46Å; D430-L432 PolarHBondContact OD1-N 2.91Å; L432-K434 PolarHBondContact O-N 3.11Å
433	R	83.6	Confident	85.9	Confident	71 Å²	71	45.2 Å²	45.2	27%	0.268	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.2	173.1	-60.8	-172.7	-173.6	-148.3	-4.4	110	V424 Y426 N431 S481 N482 E499	V424-R433 HydrophobicContact CG1-CB 4.12Å; Y426-R433 HydrophobicContact CD1-CG 4.05Å; Y426-R433 HydrophobicContact CG-CG 4.46Å; N431-R433 PolarHBondContact O-N 2.89Å; R433-S481 PolarHBondContact NH2-OG 3.48Å; R433-N482 VanDerWaalsContact CZ-O 3.22Å; R433-N482 PolarHBondContact NH1-O 3.08Å; R433-N482 PolarHBondContact NH2-O 2.85Å; R433-E499 VanDerWaalsContact CD-OE1 3.26Å; R433-E499 WeakPolarHBondContact CD-OE1 3.48Å; R433-E499 IonicContact CZ-OE1 3.83Å; R433-E499 IonicContact NE-OE1 2.73Å; R433-E499 IonicContact NH1-OE1 2.86Å; R433-E499 PolarHBondContact NH1-OE1 2.72Å
434	K	86.9	Confident	85.9	Confident	54 Å²	54	46 Å²	46	24%	0.235	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.1	-179.4	-57.7	176.2	-164.3	-177.9	0	109.7	H425 D430 L432 Y457	H425-K434 PolarHBondContact CD2-O 3.17Å; H425-K434 PolarHBondContact N-O 3.4Å; H425-K434 VanDerWaalsContact N-O 3.12Å; H425-K434 PolarHBondContact O-N 3.05Å; D430-K434 WeakPolarHBondContact OD2-CE 3.47Å; D430-K434 IonicContact OD2-NZ 3.27Å; D430-K434 PolarHBondContact OD2-NZ 2.93Å; L432-K434 PolarHBondContact O-N 3.11Å; K434-Y457 HydrophobicContact CD-CE2 4.32Å; K434-Y457 PolarHBondContact NZ-OH 2.86Å
435	R	87.8	Confident	86	Confident	108 Å²	108	45.4 Å²	45.4	41%	0.408	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124	174.4	-171.8	170.6	174.4	-84.1	2.3	109.5	W422 M423 V424 T513	W422-R435 VanDerWaalsContact CD1-NH2 3.33Å; W422-R435 VanDerWaalsContact CD2-CZ 3.44Å; W422-R435 HydrophobicContact CE3-CG 3.9Å; W422-R435 VanDerWaalsContact CE3-NH1 3.25Å; W422-R435 VanDerWaalsContact CG-CZ 3.49Å; W422-R435 HydrophobicContact CZ3-CG 4.44Å; M423-R435 WeakPolarHBondContact O-CA 3.34Å; V424-R435 HydrophobicContact CG2-CB 4.27Å; V424-R435 HydrophobicContact CG2-CG 4.18Å; R435-T513 VanDerWaalsContact CZ-O 3.3Å; R435-T513 PolarHBondContact NE-O 3.2Å; R435-T513 PolarHBondContact NH2-O 3Å
436	H	90.6	Very high	86.1	Confident	14 Å²	14	45.7 Å²	45.7	7%	0.065	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	155	-178.1	-76.4	89.5	0	0	0	110.5	M423 H425 L447 F448 Y457	M423-H436 PolarHBondContact N-O 2.83Å; M423-H436 PolarHBondContact O-N 2.95Å; H425-H436 AromaticContact CD2-ND1 3.91Å; H425-H436 AromaticContact NE2-CE1 3.92Å; H425-H436 AromaticContact NE2-CG 3.94Å; H425-H436 AromaticContact NE2-ND1 3.18Å; H425-H436 PolarHBondContact NE2-ND1 3.16Å; H425-H436 VanDerWaalsContact NE2-ND1 3.18Å; H436-L447 HydrophobicContact CB-CB 4.17Å; H436-F448 PolarHBondContact CD2-O 2.74Å; H436-Y457 AromaticContact CE1-CD1 3.85Å; H436-Y457 AromaticContact CE1-CG 3.76Å; H436-Y457 WeakPolarHBondContact NE2-CB 3.26Å; H436-Y457 AromaticContact NE2-CD1 3.77Å; H436-Y457 AromaticContact NE2-CD2 3.76Å; H436-Y457 AromaticContact NE2-CG 3.3Å; H436-Y457 VanDerWaalsContact NE2-CG 3.3Å
437	Y	88.7	Confident	86.2	Confident	12 Å²	12	45.1 Å²	45.1	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.4	174.2	-166.3	-84.9	0	0	0	109.3	E420 W422 R439 F448 E451	E420-Y437 HydrophobicContact CB-CE1 3.9Å; E420-Y437 HydrophobicContact CG-CE1 4.11Å; E420-Y437 WeakPolarHBondContact OE2-CE1 3.49Å; E420-Y437 PolarHBondContact OE2-OH 2.96Å; W422-Y437 AromaticContact CD1-CD2 3.85Å; W422-Y437 AromaticContact CD2-CD2 3.83Å; W422-Y437 HydrophobicContact CD2-CD2 3.83Å; W422-Y437 AromaticContact CE2-CD2 3.65Å; W422-Y437 HydrophobicContact CE3-CD2 4.49Å; W422-Y437 AromaticContact CG-CD2 3.99Å; W422-Y437 HydrophobicContact CG-CD2 3.99Å; W422-Y437 HydrophobicContact CZ2-CD2 4.17Å; W422-Y437 AromaticContact NE1-CD2 3.62Å; Y437-R439 HydrophobicContact CD1-CG 4.33Å; Y437-R439 HydrophobicContact CE1-CG 4.27Å; Y437-F448 PolarHBondContact N-O 2.98Å; Y437-F448 WeakPolarHBondContact O-CB 3.42Å; Y437-F448 PolarHBondContact O-N 2.79Å; Y437-E451 HydrophobicContact CD2-CB 3.71Å; Y437-E451 HydrophobicContact CD2-CG 4.07Å; Y437-E451 HydrophobicContact CE1-CG 4.24Å; Y437-E451 HydrophobicContact CE2-CB 3.69Å; Y437-E451 HydrophobicContact CE2-CG 3.5Å; Y437-E451 WeakPolarHBondContact CE2-OE1 3.44Å; Y437-E451 HydrophobicContact CG-CB 4.12Å; Y437-E451 VanDerWaalsContact CZ-OE1 3.24Å; Y437-E451 PolarHBondContact OH-OE1 2.79Å
438	W	91.9	Very high	86.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.4	-175.4	-72.8	23.8	0	0	0	110.1	E420 G421 M423 H425 L445 L447 I488 V497 W523 I527	E420-W438 CarbonylContact C-O 3.5Å; E420-W438 WeakPolarHBondContact CA-O 3.2Å; G421-W438 PolarHBondContact N-O 3.46Å; G421-W438 PolarHBondContact O-N 3.28Å; M423-W438 HydrophobicContact CB-CD2 3.62Å; M423-W438 HydrophobicContact CB-CE3 4.05Å; M423-W438 HydrophobicContact CB-CG 3.87Å; M423-W438 HydrophobicContact CB-CZ2 4.29Å; M423-W438 HydrophobicContact CG-CD2 3.96Å; M423-W438 HydrophobicContact CG-CE3 3.94Å; M423-W438 HydrophobicContact CG-CG 4.27Å; H425-W438 HydrophobicContact CB-CZ2 3.97Å; H425-W438 AromaticContact CD2-NE1 3.93Å; W438-L445 HydrophobicContact CB-CD1 4.24Å; W438-L445 HydrophobicContact CD2-CD1 4.21Å; W438-L445 HydrophobicContact CE3-CD1 3.77Å; W438-L445 HydrophobicContact CE3-CD2 3.86Å; W438-L445 HydrophobicContact CE3-CG 4.26Å; W438-L445 HydrophobicContact CG-CD1 4.47Å; W438-L445 HydrophobicContact CH2-CD2 4.16Å; W438-L445 HydrophobicContact CZ3-CD1 4.42Å; W438-L445 HydrophobicContact CZ3-CD2 3.68Å; W438-L447 HydrophobicContact CG-CG 4.36Å; W438-L447 HydrophobicContact CZ2-CD2 4Å; W438-I488 HydrophobicContact CH2-CD1 4.05Å; W438-I488 HydrophobicContact CZ3-CD1 4.18Å; W438-V497 HydrophobicContact CH2-CB 4.32Å; W438-V497 HydrophobicContact CH2-CG1 3.46Å; W438-V497 VanDerWaalsContact CH2-CG1 3.46Å; W438-V497 HydrophobicContact CH2-CG2 3.81Å; W438-V497 HydrophobicContact CZ2-CG1 4.22Å; W438-V497 HydrophobicContact CZ3-CG1 3.88Å; W438-W523 HydrophobicContact CB-CH2 3.57Å; W438-W523 HydrophobicContact CB-CZ2 3.93Å; W438-W523 HydrophobicContact CB-CZ3 4.06Å; W438-W523 HydrophobicContact CE3-CD2 4.49Å; W438-W523 HydrophobicContact CE3-CE3 4.16Å; W438-W523 HydrophobicContact CE3-CZ3 4.35Å; W438-I527 HydrophobicContact CZ3-CD1 4.12Å
439	R	89.8	Confident	86.2	Confident	59 Å²	59	48 Å²	48	22%	0.223	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.8	165	-67.8	-171.6	164.9	103.7	10.4	108.8	M417 E420 Y437 L445 T446 F448 E451	M417-R439 HydrophobicContact SD-CB 4.44Å; M417-R439 HydrophobicContact SD-CG 4.12Å; E420-R439 HydrophobicContact CB-CG 3.87Å; E420-R439 IonicContact OE2-CZ 2.78Å; E420-R439 IonicContact OE2-NE 3.17Å; E420-R439 PolarHBondContact OE2-NE 3.34Å; E420-R439 IonicContact OE2-NH2 2.67Å; E420-R439 PolarHBondContact OE2-NH2 3.4Å; Y437-R439 HydrophobicContact CD1-CG 4.33Å; Y437-R439 HydrophobicContact CE1-CG 4.27Å; R439-L445 WeakPolarHBondContact O-CA 3.33Å; R439-T446 PolarHBondContact N-O 2.88Å; R439-T446 PolarHBondContact O-N 2.72Å; R439-F448 HydrophobicContact CB-CD2 4.34Å; R439-F448 HydrophobicContact CB-CE2 4.01Å; R439-F448 HydrophobicContact CG-CD2 3.97Å; R439-F448 HydrophobicContact CG-CE2 3.9Å; R439-E451 PolarHBondContact NH1-O 3.38Å; R439-E451 VanDerWaalsContact NH1-O 3.07Å; R439-E451 PolarHBondContact NH2-O 2.84Å
440	L	87.3	Confident	86	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.8	174.5	175.6	67.8	0	0	0	109	V418 K419 L445 L462 W523 A526 I527 A530	V418-L440 HydrophobicContact CB-CD2 4.2Å; V418-L440 HydrophobicContact CB-CG 4.12Å; V418-L440 HydrophobicContact CG1-CD2 4.06Å; V418-L440 PolarHBondContact N-O 3.24Å; K419-L440 PolarHBondContact N-O 3.2Å; K419-L440 PolarHBondContact O-N 2.82Å; L440-L445 HydrophobicContact CB-CD1 4.12Å; L440-L445 HydrophobicContact CD1-CB 4.36Å; L440-L445 HydrophobicContact CD1-CD1 4.38Å; L440-L462 HydrophobicContact CD1-CD1 4.03Å; L440-L462 HydrophobicContact CD1-CD2 3.8Å; L440-L462 HydrophobicContact CD1-CG 4.4Å; L440-W523 HydrophobicContact CB-CZ3 3.97Å; L440-A526 HydrophobicContact CD2-CB 4.09Å; L440-I527 HydrophobicContact CD1-CG1 4.37Å; L440-I527 HydrophobicContact CD2-CB 4.46Å; L440-I527 HydrophobicContact CD2-CG1 3.94Å; L440-A530 HydrophobicContact CD1-CB 3.93Å; L440-A530 HydrophobicContact CD2-CB 3.92Å; L440-A530 HydrophobicContact CG-CB 4.11Å
441	D	83.8	Confident	85.9	Confident	25 Å²	25	46.9 Å²	46.9	13%	0.134	22%	0.22	C	C	.	.			trans	-128	-162.8	172.5	78.9	10.2	0	0	0	111.9	S415 K443 C444 L462	S415-D441 WeakPolarHBondContact CB-OD2 3.49Å; S415-D441 PolarHBondContact OG-OD2 2.89Å; D441-K443 PolarHBondContact O-N 2.8Å; D441-K443 WeakPolarHBondContact OD1-CA 3.44Å; D441-K443 PolarHBondContact OD1-N 3.03Å; D441-C444 PolarHBondContact N-O 3.42Å; D441-C444 PolarHBondContact OD1-N 2.87Å; D441-C444 PolarHBondContact OD1-SG 2.87Å; D441-C444 VanDerWaalsContact OD1-SG 3.33Å; D441-L462 WeakPolarHBondContact O-CD1 3.24Å
442	S	70.8	Confident	85.4	Confident	17 Å²	17	49.3 Å²	49.3	12%	0.119	24%	0.242	C	C	.	.	S	Bend	trans	-76	-3.4	-179.8	66.4	0	0	0	0	115	D579	S442-D579 PolarHBondContact OG-OD1 3.16Å
443	K	77.1	Confident	84.6	Confident	81 Å²	81	44.6 Å²	44.6	35%	0.352	22%	0.224	S	C	.	.	S	Bend	trans	-134.7	-31.9	-169.9	-54.6	-162.8	-176.9	-157.8	0	113.8	D441 L462 D579	D441-K443 PolarHBondContact O-N 2.8Å; D441-K443 WeakPolarHBondContact OD1-CA 3.44Å; D441-K443 PolarHBondContact OD1-N 3.03Å; K443-L462 WeakPolarHBondContact O-CB 3.5Å; K443-L462 PolarHBondContact O-N 3.3Å; K443-D579 VanDerWaalsContact CE-CG 3.4Å; K443-D579 WeakPolarHBondContact CE-OD1 3.44Å; K443-D579 WeakPolarHBondContact CE-OD2 3.25Å; K443-D579 IonicContact NZ-OD1 3.49Å; K443-D579 IonicContact NZ-OD2 3.17Å; K443-D579 PolarHBondContact NZ-OD2 2.86Å
444	C	87.6	Confident	84.1	Confident	16 Å²	16	46.6 Å²	46.6	11%	0.108	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.5	-173.8	63.1	0	0	0	0	113.2	D441 T446 E459 I460	D441-C444 PolarHBondContact N-O 3.42Å; D441-C444 PolarHBondContact OD1-N 2.87Å; D441-C444 PolarHBondContact OD1-SG 2.87Å; D441-C444 VanDerWaalsContact OD1-SG 3.33Å; C444-T446 PolarHBondContact SG-OG1 2.78Å; C444-T446 VanDerWaalsContact SG-OG1 3.35Å; C444-E459 HydrophobicContact CB-CG 3.92Å; C444-I460 WeakPolarHBondContact CA-O 3.37Å
445	L	91.4	Very high	83.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.8	163.4	175.7	66.4	0	0	0	107.2	W438 R439 L440 L447 I460 L462 I488 W523 I527	W438-L445 HydrophobicContact CB-CD1 4.24Å; W438-L445 HydrophobicContact CD2-CD1 4.21Å; W438-L445 HydrophobicContact CE3-CD1 3.77Å; W438-L445 HydrophobicContact CE3-CD2 3.86Å; W438-L445 HydrophobicContact CE3-CG 4.26Å; W438-L445 HydrophobicContact CG-CD1 4.47Å; W438-L445 HydrophobicContact CH2-CD2 4.16Å; W438-L445 HydrophobicContact CZ3-CD1 4.42Å; W438-L445 HydrophobicContact CZ3-CD2 3.68Å; R439-L445 WeakPolarHBondContact O-CA 3.33Å; L440-L445 HydrophobicContact CB-CD1 4.12Å; L440-L445 HydrophobicContact CD1-CB 4.36Å; L440-L445 HydrophobicContact CD1-CD1 4.38Å; L445-L447 HydrophobicContact CG-CD1 4.22Å; L445-L447 WeakPolarHBondContact O-CD1 3.46Å; L445-I460 HydrophobicContact CB-CB 4.45Å; L445-I460 PolarHBondContact N-O 3.33Å; L445-I460 PolarHBondContact O-N 2.8Å; L445-L462 HydrophobicContact CB-CD2 4.41Å; L445-I488 HydrophobicContact CD2-CD1 4.04Å; L445-W523 HydrophobicContact CD1-CZ3 4.2Å; L445-I527 HydrophobicContact CD2-CD1 4.13Å
446	T	91.1	Very high	83.3	Confident	8 Å²	8	52 Å²	52	5%	0.049	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.6	-173.2	-53.6	0	0	0	0	110.6	R439 C444 F448 Y456 E459	R439-T446 PolarHBondContact N-O 2.88Å; R439-T446 PolarHBondContact O-N 2.72Å; C444-T446 PolarHBondContact SG-OG1 2.78Å; C444-T446 VanDerWaalsContact SG-OG1 3.35Å; T446-F448 HydrophobicContact CG2-CD2 4.15Å; T446-F448 HydrophobicContact CG2-CE1 4.48Å; T446-F448 HydrophobicContact CG2-CE2 3.52Å; T446-F448 HydrophobicContact CG2-CZ 3.73Å; T446-Y456 HydrophobicContact CG2-CD1 3.89Å; T446-Y456 HydrophobicContact CG2-CD2 4.45Å; T446-Y456 HydrophobicContact CG2-CG 3.75Å; T446-E459 HydrophobicContact CG2-CB 4.34Å; T446-E459 PolarHBondContact OG1-OE1 3.48Å
447	L	92	Very high	83.1	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	93.2	-170.6	-67.5	77	0	0	0	109.3	H425 H436 W438 L445 Y456 Y457 K458 I460	H425-L447 WeakPolarHBondContact NE2-CD2 3.35Å; H436-L447 HydrophobicContact CB-CB 4.17Å; W438-L447 HydrophobicContact CG-CG 4.36Å; W438-L447 HydrophobicContact CZ2-CD2 4Å; L445-L447 HydrophobicContact CG-CD1 4.22Å; L445-L447 WeakPolarHBondContact O-CD1 3.46Å; L447-Y456 CarbonylContact O-C 3.52Å; L447-Y456 WeakPolarHBondContact O-CA 3.42Å; L447-Y456 WeakPolarHBondContact O-CB 3.43Å; L447-Y457 PolarHBondContact O-N 2.84Å; L447-K458 WeakPolarHBondContact CB-O 3.1Å; L447-K458 PolarHBondContact N-O 2.79Å; L447-I460 HydrophobicContact CD1-CD1 3.86Å; L447-I460 HydrophobicContact CD1-CG1 4.03Å
448	F	88	Confident	83	Confident	29 Å²	29	58.7 Å²	58.7	13%	0.127	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	146.1	179	-67.9	-90	0	0	0	112.1	H436 Y437 R439 T446 G453	H436-F448 PolarHBondContact CD2-O 2.74Å; Y437-F448 PolarHBondContact N-O 2.98Å; Y437-F448 WeakPolarHBondContact O-CB 3.42Å; Y437-F448 PolarHBondContact O-N 2.79Å; R439-F448 HydrophobicContact CB-CD2 4.34Å; R439-F448 HydrophobicContact CB-CE2 4.01Å; R439-F448 HydrophobicContact CG-CD2 3.97Å; R439-F448 HydrophobicContact CG-CE2 3.9Å; T446-F448 HydrophobicContact CG2-CD2 4.15Å; T446-F448 HydrophobicContact CG2-CE1 4.48Å; T446-F448 HydrophobicContact CG2-CE2 3.52Å; T446-F448 HydrophobicContact CG2-CZ 3.73Å; F448-G453 WeakPolarHBondContact CD1-O 3.5Å
449	Q	86.7	Confident	83	Confident	95 Å²	95	62.2 Å²	62.2	44%	0.444	32%	0.316	S	S	.	.	S	Bend	trans	-69.9	-46.3	174.2	-67.1	178.7	-19	0	0	110.6	K455	Q449-K455 PolarHBondContact N-O 2.89Å
450	N	82.1	Confident	82.9	Confident	102 Å²	102	59.4 Å²	59.4	55%	0.545	31%	0.306	S	S	.	.	S	Bend	trans	-128.7	146.2	179.1	-63.1	-13.1	0	0	0	109.8	S452 G453	N450-S452 VanDerWaalsContact C-N 3.34Å; N450-S452 PolarHBondContact O-N 2.83Å; N450-G453 PolarHBondContact O-N 3.37Å
451	E	80.8	Confident	82.9	Confident	98 Å²	98	61.2 Å²	61.2	46%	0.458	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-45.1	179.7	174.9	159.1	-137.1	0	0	114.5	Y437 R439	Y437-E451 HydrophobicContact CD2-CB 3.71Å; Y437-E451 HydrophobicContact CD2-CG 4.07Å; Y437-E451 HydrophobicContact CE1-CG 4.24Å; Y437-E451 HydrophobicContact CE2-CB 3.69Å; Y437-E451 HydrophobicContact CE2-CG 3.5Å; Y437-E451 WeakPolarHBondContact CE2-OE1 3.44Å; Y437-E451 HydrophobicContact CG-CB 4.12Å; Y437-E451 VanDerWaalsContact CZ-OE1 3.24Å; Y437-E451 PolarHBondContact OH-OE1 2.79Å; R439-E451 PolarHBondContact NH1-O 3.38Å; R439-E451 VanDerWaalsContact NH1-O 3.07Å; R439-E451 PolarHBondContact NH2-O 2.84Å
452	S	72.7	Confident	82.9	Confident	123 Å²	123	60 Å²	60	86%	0.86	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	2.8	179.5	55.7	0	0	0	0	114.5	N450	N450-S452 VanDerWaalsContact C-N 3.34Å; N450-S452 PolarHBondContact O-N 2.83Å
453	G	66.6	Low	83.3	Confident	25 Å²	25	60.1 Å²	60.1	26%	0.258	31%	0.312	S	S	.	.			trans	-87	145.4	-175.8	0	0	0	0	0	113.5	F448 N450	F448-G453 WeakPolarHBondContact CD1-O 3.5Å; N450-G453 PolarHBondContact O-N 3.37Å
454	S	72.6	Confident	83.7	Confident	113 Å²	113	59.6 Å²	59.6	79%	0.79	31%	0.31	S	S	*	.	S	Bend	trans	-84.1	-14.1	168.8	55.6	0	0	0	0	113.7
455	K	76.7	Confident	83.6	Confident	155 Å²	155	58.9 Å²	58.9	67%	0.674	31%	0.305	S	S	*	.			trans	-81.6	117.7	176	-71.4	-172.1	176.9	-176.3	0	111	Q449	Q449-K455 PolarHBondContact N-O 2.89Å
456	Y	81.8	Confident	83.2	Confident	121 Å²	121	61.3 Å²	61.3	48%	0.475	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	152.9	167	59.9	-102.4	0	0	0	111.8	T446 L447 E459	T446-Y456 HydrophobicContact CG2-CD1 3.89Å; T446-Y456 HydrophobicContact CG2-CD2 4.45Å; T446-Y456 HydrophobicContact CG2-CG 3.75Å; L447-Y456 CarbonylContact O-C 3.52Å; L447-Y456 WeakPolarHBondContact O-CA 3.42Å; L447-Y456 WeakPolarHBondContact O-CB 3.43Å; Y456-E459 HydrophobicContact CD2-CB 4.36Å; Y456-E459 HydrophobicContact CE2-CB 4.06Å
457	Y	85.9	Confident	82.7	Confident	97 Å²	97	68 Å²	68	38%	0.38	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-43.5	173.4	165.7	-98.3	0	0	0	111.4	K434 H436 L447	K434-Y457 HydrophobicContact CD-CE2 4.32Å; K434-Y457 PolarHBondContact NZ-OH 2.86Å; H436-Y457 AromaticContact CE1-CD1 3.85Å; H436-Y457 AromaticContact CE1-CG 3.76Å; H436-Y457 WeakPolarHBondContact NE2-CB 3.26Å; H436-Y457 AromaticContact NE2-CD1 3.77Å; H436-Y457 AromaticContact NE2-CD2 3.76Å; H436-Y457 AromaticContact NE2-CG 3.3Å; H436-Y457 VanDerWaalsContact NE2-CG 3.3Å; L447-Y457 PolarHBondContact O-N 2.84Å
458	K	87.3	Confident	82.5	Confident	69 Å²	69	68.6 Å²	68.6	30%	0.3	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	143.7	177.4	176.2	60.9	173.1	138.4	0	109	L447 I460 E464 Y495	L447-K458 WeakPolarHBondContact CB-O 3.1Å; L447-K458 PolarHBondContact N-O 2.79Å; K458-I460 HydrophobicContact CG-CG1 3.9Å; K458-E464 IonicContact NZ-OE2 3.68Å; K458-Y495 WeakPolarHBondContact CE-OH 3.21Å
459	E	90.4	Very high	82.1	Confident	73 Å²	73	67.8 Å²	67.8	34%	0.341	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132	162.9	-178.3	161.3	-95	0	0	107.7	C444 T446 Y456	C444-E459 HydrophobicContact CB-CG 3.92Å; T446-E459 HydrophobicContact CG2-CB 4.34Å; T446-E459 PolarHBondContact OG1-OE1 3.48Å; Y456-E459 HydrophobicContact CD2-CB 4.36Å; Y456-E459 HydrophobicContact CE2-CB 4.06Å
460	I	89.4	Confident	81.8	Confident	1 Å²	1	66 Å²	66	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	99.8	176.9	-52.8	174.8	0	0	0	106.9	C444 L445 L447 K458 L462 I465 T490 Y495	C444-I460 WeakPolarHBondContact CA-O 3.37Å; L445-I460 HydrophobicContact CB-CB 4.45Å; L445-I460 PolarHBondContact N-O 3.33Å; L445-I460 PolarHBondContact O-N 2.8Å; L447-I460 HydrophobicContact CD1-CD1 3.86Å; L447-I460 HydrophobicContact CD1-CG1 4.03Å; K458-I460 HydrophobicContact CG-CG1 3.9Å; I460-L462 PolarHBondContact O-N 2.9Å; I460-I465 HydrophobicContact CG2-CD1 4.34Å; I460-I465 HydrophobicContact CG2-CG1 3.98Å; I460-T490 HydrophobicContact CG2-CG2 4.39Å; I460-Y495 HydrophobicContact CD1-CD1 4.15Å; I460-Y495 HydrophobicContact CD1-CD2 4.2Å; I460-Y495 HydrophobicContact CD1-CE1 3.73Å; I460-Y495 HydrophobicContact CD1-CE2 3.78Å; I460-Y495 HydrophobicContact CD1-CG 4.38Å
461	P	86.8	Confident	81.4	Confident	38 Å²	38	63.2 Å²	63.2	25%	0.247	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	132.4	168.9	-27.9	36.1	0	0	0	110.8	S463 E464	P461-S463 PolarHBondContact O-N 3Å; P461-E464 HydrophobicContact CB-CG 4.2Å; P461-E464 WeakPolarHBondContact CD-OE1 3.25Å; P461-E464 HydrophobicContact CG-CG 4.38Å; P461-E464 WeakPolarHBondContact CG-OE1 3.26Å; P461-E464 PolarHBondContact O-N 3.36Å
462	L	84.2	Confident	80.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-8.9	-179.7	-70.9	-179.9	0	0	0	112.9	L440 D441 K443 L445 I460 I465 I527 A530 L531 Q575 R596	L440-L462 HydrophobicContact CD1-CD1 4.03Å; L440-L462 HydrophobicContact CD1-CD2 3.8Å; L440-L462 HydrophobicContact CD1-CG 4.4Å; D441-L462 WeakPolarHBondContact O-CD1 3.24Å; K443-L462 WeakPolarHBondContact O-CB 3.5Å; K443-L462 PolarHBondContact O-N 3.3Å; L445-L462 HydrophobicContact CB-CD2 4.41Å; I460-L462 PolarHBondContact O-N 2.9Å; L462-I465 HydrophobicContact CD2-CD1 3.73Å; L462-I527 HydrophobicContact CD2-CG2 4.2Å; L462-A530 HydrophobicContact CD1-CB 3.89Å; L462-L531 HydrophobicContact CB-CD2 4.16Å; L462-L531 HydrophobicContact CD2-CD2 4.4Å; L462-L531 WeakPolarHBondContact O-CD2 3.26Å; L462-Q575 VanDerWaalsContact C-OE1 3.22Å; L462-R596 PolarHBondContact O-NH1 2.89Å
463	S	77.9	Confident	79.9	Confident	19 Å²	19	64.9 Å²	64.9	13%	0.133	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-25.2	174.9	-8.4	0	0	0	0	112.9	P461 I465 Q575	P461-S463 PolarHBondContact O-N 3Å; S463-I465 VanDerWaalsContact C-N 3.28Å; S463-Q575 VanDerWaalsContact CA-OE1 3.27Å; S463-Q575 VanDerWaalsContact CB-OE1 3.24Å; S463-Q575 PolarHBondContact OG-OE1 3.03Å
464	E	85.4	Confident	80	Confident	69 Å²	69	68.7 Å²	68.7	32%	0.322	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.9	172.7	-70.5	174.3	-161.8	0	0	111.5	K458 P461 L466 T490	K458-E464 IonicContact NZ-OE2 3.68Å; P461-E464 HydrophobicContact CB-CG 4.2Å; P461-E464 WeakPolarHBondContact CD-OE1 3.25Å; P461-E464 HydrophobicContact CG-CG 4.38Å; P461-E464 WeakPolarHBondContact CG-OE1 3.26Å; P461-E464 PolarHBondContact O-N 3.36Å; E464-L466 PolarHBondContact O-N 2.78Å; E464-L466 VanDerWaalsContact O-N 3.13Å; E464-T490 HydrophobicContact CB-CG2 4.34Å; E464-T490 VanDerWaalsContact O-CA 3.27Å; E464-T490 WeakPolarHBondContact O-CA 3.46Å; E464-T490 VanDerWaalsContact O-CB 3.32Å; E464-T490 WeakPolarHBondContact O-CB 3.47Å
465	I	86.7	Confident	79.2	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	32%	0.323	C	S	.	.			trans	-68.6	109.7	173.8	-57	179.7	0	0	0	108.5	I460 L462 S463 I468 I488 I527 L531 R596	I460-I465 HydrophobicContact CG2-CD1 4.34Å; I460-I465 HydrophobicContact CG2-CG1 3.98Å; L462-I465 HydrophobicContact CD2-CD1 3.73Å; S463-I465 VanDerWaalsContact C-N 3.28Å; I465-I468 HydrophobicContact CG2-CG1 4.19Å; I465-I488 HydrophobicContact CB-CG2 4.33Å; I465-I488 HydrophobicContact CD1-CG2 3.8Å; I465-I488 HydrophobicContact CG1-CG2 3.77Å; I465-I488 HydrophobicContact CG2-CG2 3.75Å; I465-I527 HydrophobicContact CD1-CG2 4.2Å; I465-L531 HydrophobicContact CB-CD2 4.28Å; I465-L531 HydrophobicContact CG2-CD1 4.12Å; I465-L531 HydrophobicContact CG2-CD2 4.45Å; I465-R596 WeakPolarHBondContact O-CD 3.18Å; I465-R596 PolarHBondContact O-NH1 3.44Å
466	L	81.3	Confident	78.2	Confident	51 Å²	51	65.2 Å²	65.2	27%	0.267	31%	0.312	S	S	.	.			trans	-81.8	-37.7	178.2	-57.4	-176	0	0	0	111.3	E464 I489 D491 R596	E464-L466 PolarHBondContact O-N 2.78Å; E464-L466 VanDerWaalsContact O-N 3.13Å; L466-I489 PolarHBondContact N-O 3.43Å; L466-D491 HydrophobicContact CD1-CB 4.43Å; L466-R596 HydrophobicContact CD2-CB 3.9Å
467	R	82.4	Confident	77.3	Confident	148 Å²	148	61.7 Å²	61.7	56%	0.558	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.7	157.7	177.7	56.5	-175	166.4	-175.7	-2	111.8	I489	R467-I489 HydrophobicContact CG-CB 3.85Å; R467-I489 HydrophobicContact CG-CD1 4.06Å; R467-I489 HydrophobicContact CG-CG1 4.33Å; R467-I489 HydrophobicContact CG-CG2 4.36Å; R467-I489 PolarHBondContact N-O 2.8Å; R467-I489 PolarHBondContact O-N 3.5Å
468	I	86.2	Confident	75.9	Confident	13 Å²	13	60.9 Å²	60.9	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.5	164.9	-58.5	175.3	0	0	0	107.5	I465 F486 E487 E524 I527 R528 L531	I465-I468 HydrophobicContact CG2-CG1 4.19Å; I468-F486 HydrophobicContact CG2-CD2 3.87Å; I468-E487 CarbonylContact C-O 3.57Å; I468-E487 WeakPolarHBondContact CA-O 3.19Å; I468-E524 HydrophobicContact CG2-CG 3.71Å; I468-I527 HydrophobicContact CD1-CB 3.88Å; I468-I527 HydrophobicContact CD1-CG2 3.62Å; I468-R528 HydrophobicContact CD1-CG 3.97Å; I468-R528 PolarHBondContact O-NH1 2.73Å; I468-R528 PolarHBondContact O-NH2 2.87Å; I468-L531 HydrophobicContact CD1-CD1 3.64Å; I468-L531 HydrophobicContact CG1-CD1 4.11Å
469	S	80.9	Confident	74	Confident	13 Å²	13	67.3 Å²	67.3	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	150.3	-177.4	-51	0	0	0	0	111.2	E487 I489	S469-E487 PolarHBondContact N-O 3.4Å; S469-E487 PolarHBondContact O-N 2.64Å; S469-I489 WeakPolarHBondContact OG-CD1 3.31Å
470	S	79	Confident	72.4	Confident	57 Å²	57	67.9 Å²	67.9	40%	0.399	37%	0.366	S	S	.	.			trans	-55.6	151.8	156.3	64.1	0	0	0	0	109.8	R472	S470-R472 WeakPolarHBondContact O-CG 3.42Å; S470-R472 PolarHBondContact O-N 3.03Å; S470-R472 PolarHBondContact OG-NE 3.11Å
471	P	74.6	Confident	71.2	Confident	44 Å²	44	69.3 Å²	69.3	29%	0.286	38%	0.376	S	S	.	.	S	Bend	trans	-64.4	127.5	178.5	27.9	-32.6	0	0	0	109.4	F474 C485 E487	P471-F474 HydrophobicContact CB-CE1 3.97Å; P471-F474 HydrophobicContact CB-CZ 4.01Å; P471-F474 HydrophobicContact CG-CZ 4.48Å; P471-C485 VanDerWaalsContact CD-O 3.28Å; P471-C485 WeakPolarHBondContact CD-O 3.29Å; P471-E487 WeakPolarHBondContact CA-OE1 3.38Å
472	R	62.3	Low	70.4	Confident	183 Å²	183	70.6 Å²	70.6	69%	0.691	38%	0.381	S	S	*	.			trans	-132.7	-33.3	-173	-74.9	165.8	-172.9	-138.5	-1	112.6	S470 E487	S470-R472 WeakPolarHBondContact O-CG 3.42Å; S470-R472 PolarHBondContact O-N 3.03Å; S470-R472 PolarHBondContact OG-NE 3.11Å; R472-E487 PolarHBondContact N-OE1 3.34Å
473	D	59.4	Low	70.1	Confident	72 Å²	72	72.9 Å²	72.9	39%	0.385	40%	0.396	S	S	.	.			trans	-109.9	99.3	-174.3	-163.6	-19.1	0	0	0	111.7	T475 H484 E487	D473-T475 VanDerWaalsContact OD1-CB 3.31Å; D473-T475 WeakPolarHBondContact OD1-CB 3.46Å; D473-T475 VanDerWaalsContact OD1-CG2 3.29Å; D473-T475 WeakPolarHBondContact OD1-CG2 3.26Å; D473-T475 PolarHBondContact OD1-N 2.86Å; D473-T475 VanDerWaalsContact OD1-N 3.08Å; D473-T475 PolarHBondContact OD1-OG1 2.86Å; D473-H484 PolarHBondContact O-CE1 2.82Å; D473-H484 VanDerWaalsContact O-CE1 3.31Å; D473-E487 PolarHBondContact N-OE1 3.4Å
474	F	68.5	Low	70.4	Confident	105 Å²	105	72.1 Å²	72.1	46%	0.461	39%	0.39	S	S	.	.			trans	-95.8	4.2	178.8	-56.3	-63.1	0	0	0	113.2	P471 N476 I477 P483 H484	P471-F474 HydrophobicContact CB-CE1 3.97Å; P471-F474 HydrophobicContact CB-CZ 4.01Å; P471-F474 HydrophobicContact CG-CZ 4.48Å; F474-N476 PolarHBondContact O-N 2.87Å; F474-N476 VanDerWaalsContact O-N 3.13Å; F474-I477 HydrophobicContact CB-CD1 4.14Å; F474-I477 HydrophobicContact CD1-CD1 3.73Å; F474-I477 HydrophobicContact CG-CD1 4.39Å; F474-I477 PolarHBondContact O-N 2.89Å; F474-P483 HydrophobicContact CD1-CB 4.35Å; F474-P483 HydrophobicContact CE1-CB 4.08Å; F474-H484 AromaticContact CD1-CE1 3.75Å; F474-H484 AromaticContact CE1-CE1 3.84Å
475	T	57.1	Low	70.3	Confident	115 Å²	115	69.6 Å²	69.6	71%	0.706	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.6	-171.2	58	0	0	0	0	114.7	D473	D473-T475 VanDerWaalsContact OD1-CB 3.31Å; D473-T475 WeakPolarHBondContact OD1-CB 3.46Å; D473-T475 VanDerWaalsContact OD1-CG2 3.29Å; D473-T475 WeakPolarHBondContact OD1-CG2 3.26Å; D473-T475 PolarHBondContact OD1-N 2.86Å; D473-T475 VanDerWaalsContact OD1-N 3.08Å; D473-T475 PolarHBondContact OD1-OG1 2.86Å
476	N	55.1	Low	70.4	Confident	80 Å²	80	69.5 Å²	69.5	43%	0.428	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	7.7	-176.7	-83.2	-88.4	0	0	0	114.2	N431 F474 S478	N431-N476 PolarHBondContact ND2-OD1 3.37Å; F474-N476 PolarHBondContact O-N 2.87Å; F474-N476 VanDerWaalsContact O-N 3.13Å; N476-S478 PolarHBondContact O-N 2.73Å
477	I	61.8	Low	70.8	Confident	47 Å²	47	67.6 Å²	67.6	24%	0.241	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-72.9	119.7	177.9	-70.3	-175.5	0	0	0	110.3	F474 S481 P483	F474-I477 HydrophobicContact CB-CD1 4.14Å; F474-I477 HydrophobicContact CD1-CD1 3.73Å; F474-I477 HydrophobicContact CG-CD1 4.39Å; F474-I477 PolarHBondContact O-N 2.89Å; I477-S481 WeakPolarHBondContact CG2-O 3.45Å; I477-P483 HydrophobicContact CD1-CB 3.96Å
478	S	57.1	Low	71.2	Confident	80 Å²	80	60.5 Å²	60.5	56%	0.559	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-66.1	135.3	168.9	47.4	0	0	0	0	110.4	N476 G480 S481	N476-S478 PolarHBondContact O-N 2.73Å; S478-G480 PolarHBondContact O-N 3.44Å; S478-S481 WeakPolarHBondContact O-CB 3.32Å; S478-S481 PolarHBondContact O-N 2.81Å; S478-S481 PolarHBondContact O-OG 3.39Å; S478-S481 PolarHBondContact OG-OG 3.04Å
479	Q	46.8	Very low	71.3	Confident	204 Å²	204	61 Å²	61	95%	0.953	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	122.5	-174.1	-71.2	179.4	-26.1	0	0	111.5
480	G	56.9	Low	71.6	Confident	86 Å²	86	60.7 Å²	60.7	89%	0.887	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	6.9	-178.9	0	0	0	0	0	116.1	S478	S478-G480 PolarHBondContact O-N 3.44Å
481	S	63.9	Low	71.7	Confident	30 Å²	30	63.4 Å²	63.4	21%	0.21	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-100.7	136.6	175.5	70.4	0	0	0	0	113.4	R433 I477 S478	R433-S481 PolarHBondContact NH2-OG 3.48Å; I477-S481 WeakPolarHBondContact CG2-O 3.45Å; S478-S481 WeakPolarHBondContact O-CB 3.32Å; S478-S481 PolarHBondContact O-N 2.81Å; S478-S481 PolarHBondContact O-OG 3.39Å; S478-S481 PolarHBondContact OG-OG 3.04Å
482	N	70.8	Confident	72.2	Confident	65 Å²	65	64.9 Å²	64.9	35%	0.348	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-64.4	136.1	-172.5	-65.6	-8.3	0	0	0	112.1	R433 N501	R433-N482 VanDerWaalsContact CZ-O 3.22Å; R433-N482 PolarHBondContact NH1-O 3.08Å; R433-N482 PolarHBondContact NH2-O 2.85Å; N482-N501 VanDerWaalsContact ND2-CG 3.35Å; N482-N501 PolarHBondContact ND2-OD1 3.21Å
483	P	78.3	Confident	73.4	Confident	49 Å²	49	58 Å²	58	32%	0.318	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-65.4	154.3	-174.8	25	-32.5	0	0	0	113.1	F474 I477 N500	F474-P483 HydrophobicContact CD1-CB 4.35Å; F474-P483 HydrophobicContact CE1-CB 4.08Å; I477-P483 HydrophobicContact CD1-CB 3.96Å; P483-N500 HydrophobicContact CG-CB 4.36Å; P483-N500 PolarHBondContact O-N 3.25Å
484	H	82.9	Confident	74.7	Confident	3 Å²	3	56 Å²	56	1%	0.014	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-72	153.4	174.7	57.6	-70.7	0	0	0	111.7	Y426 D473 F474 E487 F496 G498	Y426-H484 HydrophobicContact CE1-CB 4.27Å; Y426-H484 PolarHBondContact OH-ND1 3.12Å; D473-H484 PolarHBondContact O-CE1 2.82Å; D473-H484 VanDerWaalsContact O-CE1 3.31Å; F474-H484 AromaticContact CD1-CE1 3.75Å; F474-H484 AromaticContact CE1-CE1 3.84Å; H484-E487 IonicContact CD2-OE1 2.86Å; H484-E487 IonicContact CE1-OE1 3.33Å; H484-E487 IonicContact NE2-OE1 2.71Å; H484-E487 PolarHBondContact NE2-OE1 2.84Å; H484-F496 HydrophobicContact CB-CB 4.1Å; H484-F496 AromaticContact CD2-CD1 3.79Å; H484-F496 AromaticContact CE1-CD1 3.88Å; H484-F496 AromaticContact NE2-CD1 3.56Å; H484-G498 WeakPolarHBondContact CA-O 3.38Å
485	C	84.2	Confident	75.7	Confident	15 Å²	15	51.8 Å²	51.8	10%	0.101	31%	0.309	C	S	.	.	S	Bend	trans	-91.3	-31.5	-175.1	-62.1	0	0	0	0	113.2	P471 V497 E499 L517 A520	P471-C485 VanDerWaalsContact CD-O 3.28Å; P471-C485 WeakPolarHBondContact CD-O 3.29Å; C485-V497 PolarHBondContact N-O 2.82Å; C485-E499 VanDerWaalsContact SG-C 3.54Å; C485-L517 HydrophobicContact CB-CD1 4.4Å; C485-A520 HydrophobicContact CB-CB 3.33Å
486	F	88.8	Confident	77.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	169.4	175.2	66.2	-87.1	0	0	0	111.9	M423 I468 I488 V497 A520 W523 E524 I527	M423-F486 HydrophobicContact CE-CE1 4.44Å; I468-F486 HydrophobicContact CG2-CD2 3.87Å; F486-I488 HydrophobicContact CD2-CG1 4.09Å; F486-I488 HydrophobicContact CE2-CD1 3.97Å; F486-I488 HydrophobicContact CE2-CG1 3.71Å; F486-V497 HydrophobicContact CD1-CB 4.26Å; F486-V497 HydrophobicContact CD1-CG1 4.39Å; F486-V497 HydrophobicContact CD2-CB 4.12Å; F486-V497 HydrophobicContact CD2-CG2 4.46Å; F486-V497 HydrophobicContact CE1-CB 3.98Å; F486-V497 HydrophobicContact CE1-CG1 3.64Å; F486-V497 HydrophobicContact CE2-CB 3.85Å; F486-V497 HydrophobicContact CE2-CG1 3.92Å; F486-V497 HydrophobicContact CE2-CG2 4.12Å; F486-V497 HydrophobicContact CG-CB 4.33Å; F486-V497 HydrophobicContact CZ-CB 3.78Å; F486-V497 HydrophobicContact CZ-CG1 3.38Å; F486-V497 HydrophobicContact CZ-CG2 4.42Å; F486-V497 PolarHBondContact N-O 3.45Å; F486-V497 PolarHBondContact O-N 2.85Å; F486-A520 HydrophobicContact CD1-CB 4.25Å; F486-A520 HydrophobicContact CE1-CB 4.13Å; F486-A520 VanDerWaalsContact CE1-O 3.24Å; F486-A520 WeakPolarHBondContact CE1-O 2.98Å; F486-W523 HydrophobicContact CE1-CB 4.46Å; F486-W523 HydrophobicContact CZ-CB 4.33Å; F486-E524 HydrophobicContact CB-CG 4.15Å; F486-E524 HydrophobicContact CD1-CB 3.93Å; F486-E524 HydrophobicContact CD1-CG 4.22Å; F486-E524 HydrophobicContact CD2-CB 4.39Å; F486-E524 HydrophobicContact CD2-CG 4.02Å; F486-E524 HydrophobicContact CE1-CB 4.01Å; F486-E524 HydrophobicContact CE2-CB 4.43Å; F486-E524 HydrophobicContact CE2-CG 4.42Å; F486-E524 HydrophobicContact CG-CB 4.13Å; F486-E524 HydrophobicContact CG-CG 3.9Å; F486-E524 HydrophobicContact CZ-CB 4.25Å; F486-I527 HydrophobicContact CE2-CD1 4.3Å; F486-I527 HydrophobicContact CZ-CD1 4.28Å
487	E	89.9	Confident	78.9	Confident	10 Å²	10	43 Å²	43	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.3	-177.2	-65.4	167.3	-166.5	0	0	110.7	I468 S469 P471 R472 D473 H484 V494 Y495 F496	I468-E487 CarbonylContact C-O 3.57Å; I468-E487 WeakPolarHBondContact CA-O 3.19Å; S469-E487 PolarHBondContact N-O 3.4Å; S469-E487 PolarHBondContact O-N 2.64Å; P471-E487 WeakPolarHBondContact CA-OE1 3.38Å; R472-E487 PolarHBondContact N-OE1 3.34Å; D473-E487 PolarHBondContact N-OE1 3.4Å; H484-E487 IonicContact CD2-OE1 2.86Å; H484-E487 IonicContact CE1-OE1 3.33Å; H484-E487 IonicContact NE2-OE1 2.71Å; H484-E487 PolarHBondContact NE2-OE1 2.84Å; E487-V494 HydrophobicContact CB-CG1 4.25Å; E487-V494 HydrophobicContact CG-CG1 4.5Å; E487-Y495 WeakPolarHBondContact CA-O 3.41Å; E487-F496 HydrophobicContact CG-CD1 3.9Å; E487-F496 HydrophobicContact CG-CE1 4.26Å
488	I	91.1	Very high	79.9	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.2	169.2	-51.4	175.4	0	0	0	107.7	W438 L445 I465 F486 Y495 V497 I527	W438-I488 HydrophobicContact CH2-CD1 4.05Å; W438-I488 HydrophobicContact CZ3-CD1 4.18Å; L445-I488 HydrophobicContact CD2-CD1 4.04Å; I465-I488 HydrophobicContact CB-CG2 4.33Å; I465-I488 HydrophobicContact CD1-CG2 3.8Å; I465-I488 HydrophobicContact CG1-CG2 3.77Å; I465-I488 HydrophobicContact CG2-CG2 3.75Å; F486-I488 HydrophobicContact CD2-CG1 4.09Å; F486-I488 HydrophobicContact CE2-CD1 3.97Å; F486-I488 HydrophobicContact CE2-CG1 3.71Å; I488-Y495 PolarHBondContact N-O 2.73Å; I488-Y495 PolarHBondContact O-N 2.8Å; I488-V497 HydrophobicContact CD1-CG2 4.04Å; I488-V497 HydrophobicContact CG1-CG2 4.05Å; I488-I527 HydrophobicContact CD1-CD1 4.09Å
489	I	87.7	Confident	81.1	Confident	22 Å²	22	39 Å²	39	11%	0.113	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120	-175.3	-58.9	-179.6	0	0	0	109.3	L466 R467 S469 V494	L466-I489 PolarHBondContact N-O 3.43Å; R467-I489 HydrophobicContact CG-CB 3.85Å; R467-I489 HydrophobicContact CG-CD1 4.06Å; R467-I489 HydrophobicContact CG-CG1 4.33Å; R467-I489 HydrophobicContact CG-CG2 4.36Å; R467-I489 PolarHBondContact N-O 2.8Å; R467-I489 PolarHBondContact O-N 3.5Å; S469-I489 WeakPolarHBondContact OG-CD1 3.31Å; I489-V494 HydrophobicContact CG1-CG1 4.12Å; I489-V494 HydrophobicContact CG1-CG2 4.15Å; I489-V494 HydrophobicContact CG2-CG2 4.41Å
490	T	88.4	Confident	82.3	Confident	8 Å²	8	32 Å²	32	5%	0.049	20%	0.198	C	C	.	.			trans	-100.5	-174.2	167.2	76.5	0	0	0	0	111	I460 E464 T492 M493 Y495	I460-T490 HydrophobicContact CG2-CG2 4.39Å; E464-T490 HydrophobicContact CB-CG2 4.34Å; E464-T490 VanDerWaalsContact O-CA 3.27Å; E464-T490 WeakPolarHBondContact O-CA 3.46Å; E464-T490 VanDerWaalsContact O-CB 3.32Å; E464-T490 WeakPolarHBondContact O-CB 3.47Å; T490-T492 VanDerWaalsContact C-N 3.3Å; T490-T492 PolarHBondContact OG1-N 2.88Å; T490-T492 PolarHBondContact OG1-OG1 2.95Å; T490-M493 PolarHBondContact N-O 3.14Å; T490-M493 PolarHBondContact OG1-N 2.91Å; T490-M493 VanDerWaalsContact OG1-N 3.09Å; T490-M493 PolarHBondContact OG1-O 2.89Å; T490-Y495 HydrophobicContact CG2-CE2 4.12Å
491	D	80.8	Confident	82.7	Confident	113 Å²	113	31.1 Å²	31.1	60%	0.604	17%	0.173	S	C	*	.	S	Bend	trans	-64.7	-30.2	170.9	66.1	-25.7	0	0	0	114	L466	L466-D491 HydrophobicContact CD1-CB 4.43Å
492	T	84.1	Confident	82.4	Confident	76 Å²	76	32.8 Å²	32.8	47%	0.466	20%	0.195	S	C	.	.	S	Bend	trans	-120.5	-15.3	-165.6	42.3	0	0	0	0	114	R429 T490	R429-T492 PolarHBondContact NE-O 3.32Å; R429-T492 PolarHBondContact NH2-O 3.29Å; T490-T492 VanDerWaalsContact C-N 3.3Å; T490-T492 PolarHBondContact OG1-N 2.88Å; T490-T492 PolarHBondContact OG1-OG1 2.95Å
493	M	87.1	Confident	81.5	Confident	37 Å²	37	36.2 Å²	36.2	18%	0.182	21%	0.214	C	C	.	.			trans	-149.3	147.6	-171.3	-142.7	80.8	171.8	0	0	111.3	T427 R429 T490 Y495	T427-M493 VanDerWaalsContact CB-CE 3.49Å; T427-M493 HydrophobicContact CG2-CE 4.09Å; T427-M493 HydrophobicContact CG2-CG 4.43Å; T427-M493 WeakPolarHBondContact OG1-CE 3.41Å; R429-M493 HydrophobicContact CB-CE 3.66Å; R429-M493 HydrophobicContact CB-SD 4.4Å; R429-M493 HydrophobicContact CG-CE 3.67Å; R429-M493 HydrophobicContact CG-SD 3.74Å; R429-M493 PolarHBondContact NE-SD 2.87Å; R429-M493 VanDerWaalsContact NE-SD 3.43Å; T490-M493 PolarHBondContact N-O 3.14Å; T490-M493 PolarHBondContact OG1-N 2.91Å; T490-M493 VanDerWaalsContact OG1-N 3.09Å; T490-M493 PolarHBondContact OG1-O 2.89Å; M493-Y495 HydrophobicContact CB-CD2 4.31Å; M493-Y495 HydrophobicContact CB-CE2 3.78Å; M493-Y495 HydrophobicContact CG-CD2 4.49Å; M493-Y495 HydrophobicContact CG-CE2 4.05Å
494	V	88.1	Confident	80	Confident	31 Å²	31	40 Å²	40	19%	0.188	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.9	155.7	-176.8	0	0	0	0	108	T427 S428 E487 I489 F496	T427-V494 CarbonylContact C-O 3.54Å; T427-V494 WeakPolarHBondContact CA-O 3.23Å; S428-V494 PolarHBondContact N-O 3.43Å; S428-V494 PolarHBondContact OG-N 2.86Å; E487-V494 HydrophobicContact CB-CG1 4.25Å; E487-V494 HydrophobicContact CG-CG1 4.5Å; I489-V494 HydrophobicContact CG1-CG1 4.12Å; I489-V494 HydrophobicContact CG1-CG2 4.15Å; I489-V494 HydrophobicContact CG2-CG2 4.41Å; V494-F496 HydrophobicContact CB-CE2 4.39Å; V494-F496 HydrophobicContact CB-CZ 4.2Å; V494-F496 HydrophobicContact CG1-CD1 4.2Å; V494-F496 HydrophobicContact CG1-CE1 3.84Å; V494-F496 HydrophobicContact CG1-CE2 4.27Å; V494-F496 HydrophobicContact CG1-CZ 3.88Å
495	Y	89.8	Confident	78.3	Confident	17 Å²	17	43.6 Å²	43.6	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.9	168.5	-60.6	-102	0	0	0	108.2	H425 Y426 T427 K458 I460 E487 I488 T490 M493	H425-Y495 AromaticContact ND1-CD1 3.87Å; Y426-Y495 WeakPolarHBondContact O-CA 3.18Å; T427-Y495 HydrophobicContact CG2-CD1 3.51Å; T427-Y495 HydrophobicContact CG2-CE1 3.77Å; T427-Y495 HydrophobicContact CG2-CG 4.19Å; K458-Y495 WeakPolarHBondContact CE-OH 3.21Å; I460-Y495 HydrophobicContact CD1-CD1 4.15Å; I460-Y495 HydrophobicContact CD1-CD2 4.2Å; I460-Y495 HydrophobicContact CD1-CE1 3.73Å; I460-Y495 HydrophobicContact CD1-CE2 3.78Å; I460-Y495 HydrophobicContact CD1-CG 4.38Å; E487-Y495 WeakPolarHBondContact CA-O 3.41Å; I488-Y495 PolarHBondContact N-O 2.73Å; I488-Y495 PolarHBondContact O-N 2.8Å; T490-Y495 HydrophobicContact CG2-CE2 4.12Å; M493-Y495 HydrophobicContact CB-CD2 4.31Å; M493-Y495 HydrophobicContact CB-CE2 3.78Å; M493-Y495 HydrophobicContact CG-CD2 4.49Å; M493-Y495 HydrophobicContact CG-CE2 4.05Å
496	F	89.3	Confident	76.5	Confident	10 Å²	10	50.6 Å²	50.6	4%	0.044	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.2	175.5	-55.9	-81.1	0	0	0	107.9	H425 Y426 H484 E487 V494	H425-F496 CarbonylContact C-O 3.48Å; H425-F496 WeakPolarHBondContact CA-O 3.42Å; H425-F496 WeakPolarHBondContact CB-O 3.41Å; Y426-F496 HydrophobicContact CD1-CB 3.83Å; Y426-F496 HydrophobicContact CD2-CB 4Å; Y426-F496 AromaticContact CD2-CD2 3.58Å; Y426-F496 HydrophobicContact CD2-CD2 3.58Å; Y426-F496 HydrophobicContact CD2-CE2 4.43Å; Y426-F496 HydrophobicContact CD2-CG 4.11Å; Y426-F496 HydrophobicContact CE1-CB 3.45Å; Y426-F496 VanDerWaalsContact CE1-CB 3.45Å; Y426-F496 HydrophobicContact CE1-CG 4.31Å; Y426-F496 HydrophobicContact CE2-CB 3.64Å; Y426-F496 AromaticContact CE2-CD2 3.36Å; Y426-F496 HydrophobicContact CE2-CD2 3.36Å; Y426-F496 HydrophobicContact CE2-CE2 4.1Å; Y426-F496 AromaticContact CE2-CG 3.6Å; Y426-F496 HydrophobicContact CE2-CG 3.6Å; Y426-F496 HydrophobicContact CG-CB 4.08Å; Y426-F496 HydrophobicContact CG-CD2 4.37Å; Y426-F496 AromaticContact CZ-CD2 3.98Å; Y426-F496 AromaticContact CZ-CG 3.7Å; Y426-F496 PolarHBondContact N-O 3.05Å; Y426-F496 PolarHBondContact O-N 3.18Å; H484-F496 HydrophobicContact CB-CB 4.1Å; H484-F496 AromaticContact CD2-CD1 3.79Å; H484-F496 AromaticContact CE1-CD1 3.88Å; H484-F496 AromaticContact NE2-CD1 3.56Å; E487-F496 HydrophobicContact CG-CD1 3.9Å; E487-F496 HydrophobicContact CG-CE1 4.26Å; V494-F496 HydrophobicContact CB-CE2 4.39Å; V494-F496 HydrophobicContact CB-CZ 4.2Å; V494-F496 HydrophobicContact CG1-CD1 4.2Å; V494-F496 HydrophobicContact CG1-CE1 3.84Å; V494-F496 HydrophobicContact CG1-CE2 4.27Å; V494-F496 HydrophobicContact CG1-CZ 3.88Å
497	V	88.4	Confident	74.8	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138	-159.5	-172.5	0	0	0	0	112.7	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 4.44Å; W438-V497 HydrophobicContact CH2-CB 4.32Å; W438-V497 HydrophobicContact CH2-CG1 3.46Å; W438-V497 VanDerWaalsContact CH2-CG1 3.46Å; W438-V497 HydrophobicContact CH2-CG2 3.81Å; W438-V497 HydrophobicContact CZ2-CG1 4.22Å; W438-V497 HydrophobicContact CZ3-CG1 3.88Å; C485-V497 PolarHBondContact N-O 2.82Å; F486-V497 HydrophobicContact CD1-CB 4.26Å; F486-V497 HydrophobicContact CD1-CG1 4.39Å; F486-V497 HydrophobicContact CD2-CB 4.12Å; F486-V497 HydrophobicContact CD2-CG2 4.46Å; F486-V497 HydrophobicContact CE1-CB 3.98Å; F486-V497 HydrophobicContact CE1-CG1 3.64Å; F486-V497 HydrophobicContact CE2-CB 3.85Å; F486-V497 HydrophobicContact CE2-CG1 3.92Å; F486-V497 HydrophobicContact CE2-CG2 4.12Å; F486-V497 HydrophobicContact CG-CB 4.33Å; F486-V497 HydrophobicContact CZ-CB 3.78Å; F486-V497 HydrophobicContact CZ-CG1 3.38Å; F486-V497 HydrophobicContact CZ-CG2 4.42Å; F486-V497 PolarHBondContact N-O 3.45Å; F486-V497 PolarHBondContact O-N 2.85Å; I488-V497 HydrophobicContact CD1-CG2 4.04Å; I488-V497 HydrophobicContact CG1-CG2 4.05Å
498	G	84.1	Confident	72.9	Confident	4 Å²	4	58.3 Å²	58.3	4%	0.041	34%	0.344	C	S	.	.			trans	79	172.6	-179.1	0	0	0	0	0	113.3	V424 H484	V424-G498 PolarHBondContact O-N 3.21Å; H484-G498 WeakPolarHBondContact CA-O 3.38Å
499	E	80.8	Confident	71	Confident	38 Å²	38	63.1 Å²	63.1	18%	0.178	37%	0.374	C	S	.	.			trans	-136.3	125	175.9	-56	-171.5	125.6	0	0	108.8	V424 R433 C485 V515 G516	V424-E499 HydrophobicContact CB-CG 4.15Å; V424-E499 HydrophobicContact CG1-CG 4.05Å; R433-E499 VanDerWaalsContact CD-OE1 3.26Å; R433-E499 WeakPolarHBondContact CD-OE1 3.48Å; R433-E499 IonicContact CZ-OE1 3.83Å; R433-E499 IonicContact NE-OE1 2.73Å; R433-E499 IonicContact NH1-OE1 2.86Å; R433-E499 PolarHBondContact NH1-OE1 2.72Å; C485-E499 VanDerWaalsContact SG-C 3.54Å; E499-V515 HydrophobicContact CB-CG1 4.43Å; E499-G516 PolarHBondContact O-N 2.75Å
500	N	72.1	Confident	69.4	Low	57 Å²	57	65.5 Å²	65.5	31%	0.305	39%	0.386	S	S	.	.			trans	-98	106.5	177.3	-180	9	0	0	0	110.1	P483 G502	P483-N500 HydrophobicContact CG-CB 4.36Å; P483-N500 PolarHBondContact O-N 3.25Å; N500-G502 PolarHBondContact OD1-N 3.27Å
501	N	66.9	Low	67.5	Low	68 Å²	68	67.8 Å²	67.8	36%	0.364	41%	0.406	S	S	.	.			trans	-88.6	3.8	-175.4	-64.5	6	0	0	0	113.8	N482 D503	N482-N501 VanDerWaalsContact ND2-CG 3.35Å; N482-N501 PolarHBondContact ND2-OD1 3.21Å; N501-D503 PolarHBondContact O-N 3.31Å
502	G	56.4	Low	66	Low	65 Å²	65	66.2 Å²	66.2	67%	0.67	41%	0.408	S	S	*	.	S	Bend	trans	78.5	-31.1	177	0	0	0	0	0	116	N500 S504	N500-G502 PolarHBondContact OD1-N 3.27Å; G502-S504 PolarHBondContact O-N 3.17Å
503	D	51.4	Low	64.7	Low	138 Å²	138	65 Å²	65	74%	0.738	40%	0.401	S	S	*	.			trans	-68.8	118.7	176.2	-85.1	-41.4	0	0	0	112.4	N501 S505	N501-D503 PolarHBondContact O-N 3.31Å; D503-S505 PolarHBondContact O-N 3.2Å
504	S	47.8	Very low	63.3	Low	129 Å²	129	63.4 Å²	63.4	90%	0.902	39%	0.394	S	S	*	.			trans	-85.5	23.4	173.3	69.8	0	0	0	0	113.5	G502	G502-S504 PolarHBondContact O-N 3.17Å
505	S	47.1	Very low	62.2	Low	77 Å²	77	62.9 Å²	62.9	54%	0.538	39%	0.391	S	S	.	.			trans	-95	124.3	-178.5	67.9	0	0	0	0	110.9	D503 N507	D503-S505 PolarHBondContact O-N 3.2Å; S505-N507 PolarHBondContact O-N 3.48Å
506	H	45.4	Very low	61.2	Low	162 Å²	162	62.9 Å²	62.9	75%	0.75	40%	0.396	S	S	*	.			trans	-77.1	66.6	-168.1	-164.8	-63.4	0	0	0	112.5	P508	H506-P508 WeakPolarHBondContact O-CD 3.2Å
507	N	53.5	Low	60.5	Low	73 Å²	73	65.5 Å²	65.5	39%	0.39	41%	0.411	S	S	.	.			trans	-81.1	111.1	-173.3	-173.8	-21.2	0	0	0	112.2	S505 V509 L510 A511	S505-N507 PolarHBondContact O-N 3.48Å; N507-V509 PolarHBondContact O-N 3.13Å; N507-V509 VanDerWaalsContact O-N 3.16Å; N507-V509 WeakPolarHBondContact OD1-CB 3.25Å; N507-V509 PolarHBondContact OD1-N 3.41Å; N507-L510 HydrophobicContact CB-CD1 4.26Å; N507-L510 HydrophobicContact CB-CG 4.41Å; N507-L510 PolarHBondContact O-N 3.31Å; N507-A511 PolarHBondContact O-N 3.4Å
508	P	50.9	Low	59.8	Low	99 Å²	99	70.1 Å²	70.1	64%	0.643	44%	0.435	S	S	*	.	H	α-helix	trans	-67.1	-18.2	-175.5	28.4	-35.6	0	0	0	113.9	H506	H506-P508 WeakPolarHBondContact O-CD 3.2Å
509	V	51.7	Low	59.7	Low	102 Å²	102	71.1 Å²	71.1	62%	0.618	44%	0.44	S	S	*	.	H	α-helix	trans	-72.2	-38.5	177	-175.5	0	0	0	0	111	N507 A512	N507-V509 PolarHBondContact O-N 3.13Å; N507-V509 VanDerWaalsContact O-N 3.16Å; N507-V509 WeakPolarHBondContact OD1-CB 3.25Å; N507-V509 PolarHBondContact OD1-N 3.41Å; V509-A512 PolarHBondContact O-N 2.86Å
510	L	52.5	Low	59.8	Low	72 Å²	72	69.3 Å²	69.3	38%	0.377	43%	0.432	S	S	.	.	H	α-helix	trans	-70.9	-35.1	177	-66.8	177	0	0	0	111.9	N507 A512 T513	N507-L510 HydrophobicContact CB-CD1 4.26Å; N507-L510 HydrophobicContact CB-CG 4.41Å; N507-L510 PolarHBondContact O-N 3.31Å; L510-A512 PolarHBondContact O-N 3.01Å; L510-T513 PolarHBondContact O-N 3.23Å; L510-T513 PolarHBondContact O-OG1 2.86Å
511	A	49.1	Very low	60.3	Low	56 Å²	56	71.4 Å²	71.4	46%	0.463	44%	0.44	S	S	.	.	H	α-helix	trans	-56.5	-35.7	175.2	0	0	0	0	0	112.7	N507 V519	N507-A511 PolarHBondContact O-N 3.4Å; A511-V519 HydrophobicContact CB-CG2 4.3Å
512	A	49.7	Very low	61.1	Low	79 Å²	79	70.9 Å²	70.9	65%	0.653	44%	0.442	S	S	*	.	H	α-helix	trans	-74.9	-20.9	177.1	0	0	0	0	0	114.2	V509 L510	V509-A512 PolarHBondContact O-N 2.86Å; L510-A512 PolarHBondContact O-N 3.01Å
513	T	56.5	Low	62.7	Low	50 Å²	50	68 Å²	68	31%	0.307	41%	0.411	S	S	.	.	H	α-helix	trans	-87.4	-11.6	-179	65.1	0	0	0	0	113.8	R435 L510	R435-T513 VanDerWaalsContact CZ-O 3.3Å; R435-T513 PolarHBondContact NE-O 3.2Å; R435-T513 PolarHBondContact NH2-O 3Å; L510-T513 PolarHBondContact O-N 3.23Å; L510-T513 PolarHBondContact O-OG1 2.86Å
514	G	58.7	Low	64.3	Low	4 Å²	4	63.2 Å²	63.2	4%	0.041	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	25.1	-177.2	0	0	0	0	0	113.9	W422	W422-G514 WeakPolarHBondContact O-CA 3.26Å
515	V	64.3	Low	66	Low	21 Å²	21	62.7 Å²	62.7	13%	0.127	37%	0.365	C	S	.	.			trans	-127.4	143.8	-173.7	-179.3	0	0	0	0	109.4	V424 E499	V424-V515 HydrophobicContact CG2-CG2 4.35Å; E499-V515 HydrophobicContact CB-CG1 4.43Å
516	G	68.6	Low	67.7	Low	17 Å²	17	59.5 Å²	59.5	18%	0.175	34%	0.343	C	S	.	.	S	Bend	trans	111.4	159.1	-179.5	0	0	0	0	0	114.2	E499 A520	E499-G516 PolarHBondContact O-N 2.75Å; G516-A520 PolarHBondContact O-N 2.97Å
517	L	74	Confident	69.6	Low	65 Å²	65	51.8 Å²	51.8	34%	0.34	31%	0.307	S	S	.	.	H	α-helix	trans	-65.4	-45.3	-171	-173.4	64.9	0	0	0	112.5	C485 V519 A520 Q521	C485-L517 HydrophobicContact CB-CD1 4.4Å; L517-V519 VanDerWaalsContact C-N 3.32Å; L517-V519 PolarHBondContact O-N 2.75Å; L517-A520 PolarHBondContact O-N 2.82Å; L517-A520 VanDerWaalsContact O-N 3.16Å; L517-Q521 HydrophobicContact CD1-CG 4.45Å; L517-Q521 HydrophobicContact CG-CG 4.4Å; L517-Q521 WeakPolarHBondContact O-CG 3.24Å; L517-Q521 PolarHBondContact O-N 3.27Å
518	D	74.9	Confident	71	Confident	97 Å²	97	53.2 Å²	53.2	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-38	-177.5	-51.3	-51	0	0	0	112.3	S522	D518-S522 WeakPolarHBondContact O-CB 3.08Å; D518-S522 PolarHBondContact O-N 2.75Å
519	V	81.4	Confident	72.1	Confident	24 Å²	24	52.9 Å²	52.9	15%	0.145	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-47.1	175.3	-179.5	0	0	0	0	109.8	M423 A511 L517 S522 W523	M423-V519 HydrophobicContact SD-CG1 4Å; A511-V519 HydrophobicContact CB-CG2 4.3Å; L517-V519 VanDerWaalsContact C-N 3.32Å; L517-V519 PolarHBondContact O-N 2.75Å; V519-S522 WeakPolarHBondContact O-CB 3.44Å; V519-S522 PolarHBondContact O-N 3.26Å; V519-W523 VanDerWaalsContact O-CD1 3.28Å; V519-W523 PolarHBondContact O-N 3.01Å
520	A	83.2	Confident	73.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-44.7	178.9	0	0	0	0	0	112.2	M423 C485 F486 G516 L517 S522 W523 E524	M423-A520 HydrophobicContact CE-CB 4.4Å; C485-A520 HydrophobicContact CB-CB 3.33Å; F486-A520 HydrophobicContact CD1-CB 4.25Å; F486-A520 HydrophobicContact CE1-CB 4.13Å; F486-A520 VanDerWaalsContact CE1-O 3.24Å; F486-A520 WeakPolarHBondContact CE1-O 2.98Å; G516-A520 PolarHBondContact O-N 2.97Å; L517-A520 PolarHBondContact O-N 2.82Å; L517-A520 VanDerWaalsContact O-N 3.16Å; A520-S522 VanDerWaalsContact C-N 3.33Å; A520-S522 PolarHBondContact O-N 3.32Å; A520-W523 PolarHBondContact O-N 3.01Å; A520-E524 WeakPolarHBondContact O-CB 3.41Å; A520-E524 PolarHBondContact O-N 2.89Å
521	Q	83	Confident	74.2	Confident	100 Å²	100	45.7 Å²	45.7	47%	0.467	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-38.4	174.2	-70.7	-177.7	8.4	0	0	112.1	L517 W523 E524 K525	L517-Q521 HydrophobicContact CD1-CG 4.45Å; L517-Q521 HydrophobicContact CG-CG 4.4Å; L517-Q521 WeakPolarHBondContact O-CG 3.24Å; L517-Q521 PolarHBondContact O-N 3.27Å; Q521-W523 VanDerWaalsContact C-N 3.32Å; Q521-W523 PolarHBondContact O-N 3.41Å; Q521-E524 PolarHBondContact O-N 3.17Å; Q521-K525 VanDerWaalsContact O-CB 3.29Å; Q521-K525 WeakPolarHBondContact O-CB 3.08Å; Q521-K525 PolarHBondContact O-N 2.68Å
522	S	83.9	Confident	75.1	Confident	57 Å²	57	46.1 Å²	46.1	40%	0.399	25%	0.25	S	C	.	.	H	α-helix	trans	-63.9	-36.3	174.8	-172.8	0	0	0	0	112.2	K419 D518 V519 A520 A526	K419-S522 PolarHBondContact NZ-OG 2.71Å; D518-S522 WeakPolarHBondContact O-CB 3.08Å; D518-S522 PolarHBondContact O-N 2.75Å; V519-S522 WeakPolarHBondContact O-CB 3.44Å; V519-S522 PolarHBondContact O-N 3.26Å; A520-S522 VanDerWaalsContact C-N 3.33Å; A520-S522 PolarHBondContact O-N 3.32Å; S522-A526 VanDerWaalsContact O-CB 3.3Å; S522-A526 WeakPolarHBondContact O-CB 3.44Å; S522-A526 PolarHBondContact O-N 2.72Å; S522-A526 VanDerWaalsContact O-N 3.15Å
523	W	88.4	Confident	75.2	Confident	5 Å²	5	44.6 Å²	44.6	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-71.9	-45.4	171.6	-86.4	104.6	0	0	0	112.6	K419 M423 W438 L440 L445 F486 V519 A520 Q521 K525 A526 I527	K419-W523 HydrophobicContact CB-CH2 4.16Å; K419-W523 HydrophobicContact CB-CZ3 4.08Å; K419-W523 HydrophobicContact CD-CD2 3.66Å; K419-W523 HydrophobicContact CD-CE3 3.72Å; K419-W523 HydrophobicContact CD-CG 4.19Å; K419-W523 HydrophobicContact CD-CH2 4.21Å; K419-W523 HydrophobicContact CD-CZ2 4.16Å; K419-W523 HydrophobicContact CD-CZ3 4Å; K419-W523 HydrophobicContact CG-CD2 4.38Å; K419-W523 HydrophobicContact CG-CE3 4.29Å; K419-W523 HydrophobicContact CG-CH2 3.89Å; K419-W523 HydrophobicContact CG-CZ2 3.99Å; K419-W523 HydrophobicContact CG-CZ3 4.05Å; M423-W523 HydrophobicContact CG-CD2 4.09Å; M423-W523 HydrophobicContact CG-CG 3.98Å; M423-W523 HydrophobicContact CG-CZ2 4.46Å; M423-W523 HydrophobicContact SD-CG 3.95Å; W438-W523 HydrophobicContact CB-CH2 3.57Å; W438-W523 HydrophobicContact CB-CZ2 3.93Å; W438-W523 HydrophobicContact CB-CZ3 4.06Å; W438-W523 HydrophobicContact CE3-CD2 4.49Å; W438-W523 HydrophobicContact CE3-CE3 4.16Å; W438-W523 HydrophobicContact CE3-CZ3 4.35Å; L440-W523 HydrophobicContact CB-CZ3 3.97Å; L445-W523 HydrophobicContact CD1-CZ3 4.2Å; F486-W523 HydrophobicContact CE1-CB 4.46Å; F486-W523 HydrophobicContact CZ-CB 4.33Å; V519-W523 VanDerWaalsContact O-CD1 3.28Å; V519-W523 PolarHBondContact O-N 3.01Å; A520-W523 PolarHBondContact O-N 3.01Å; Q521-W523 VanDerWaalsContact C-N 3.32Å; Q521-W523 PolarHBondContact O-N 3.41Å; W523-K525 VanDerWaalsContact C-N 3.34Å; W523-K525 PolarHBondContact O-N 3.33Å; W523-A526 PolarHBondContact O-N 3.35Å; W523-I527 HydrophobicContact CE3-CD1 4.44Å; W523-I527 HydrophobicContact CE3-CG1 4.46Å; W523-I527 VanDerWaalsContact O-CG1 3.27Å; W523-I527 WeakPolarHBondContact O-CG1 3.11Å; W523-I527 PolarHBondContact O-N 3.07Å
524	E	86.6	Confident	74.9	Confident	38 Å²	38	43.1 Å²	43.1	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-56.4	-49	177.1	-163.1	-158.8	154.1	0	0	110.8	I468 F486 A520 Q521 A526 I527 R528	I468-E524 HydrophobicContact CG2-CG 3.71Å; F486-E524 HydrophobicContact CB-CG 4.15Å; F486-E524 HydrophobicContact CD1-CB 3.93Å; F486-E524 HydrophobicContact CD1-CG 4.22Å; F486-E524 HydrophobicContact CD2-CB 4.39Å; F486-E524 HydrophobicContact CD2-CG 4.02Å; F486-E524 HydrophobicContact CE1-CB 4.01Å; F486-E524 HydrophobicContact CE2-CB 4.43Å; F486-E524 HydrophobicContact CE2-CG 4.42Å; F486-E524 HydrophobicContact CG-CB 4.13Å; F486-E524 HydrophobicContact CG-CG 3.9Å; F486-E524 HydrophobicContact CZ-CB 4.25Å; A520-E524 WeakPolarHBondContact O-CB 3.41Å; A520-E524 PolarHBondContact O-N 2.89Å; Q521-E524 PolarHBondContact O-N 3.17Å; E524-A526 PolarHBondContact O-N 3.44Å; E524-I527 PolarHBondContact O-N 3Å; E524-R528 WeakPolarHBondContact O-CB 3.3Å; E524-R528 VanDerWaalsContact O-CG 3.31Å; E524-R528 WeakPolarHBondContact O-CG 3.49Å; E524-R528 PolarHBondContact O-N 2.72Å; E524-R528 IonicContact OE1-CZ 2.82Å; E524-R528 IonicContact OE1-NE 2.75Å; E524-R528 PolarHBondContact OE1-NE 3.09Å; E524-R528 IonicContact OE1-NH2 3.72Å; E524-R528 PolarHBondContact OE1-NH2 3.41Å
525	K	82.8	Confident	74.1	Confident	118 Å²	118	46 Å²	46	51%	0.513	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-42.9	176.1	-173.2	172.4	-177.6	175.2	0	112.1	Q521 W523 R528 Q529	Q521-K525 VanDerWaalsContact O-CB 3.29Å; Q521-K525 WeakPolarHBondContact O-CB 3.08Å; Q521-K525 PolarHBondContact O-N 2.68Å; W523-K525 VanDerWaalsContact C-N 3.34Å; W523-K525 PolarHBondContact O-N 3.33Å; K525-R528 PolarHBondContact O-N 3.44Å; K525-Q529 WeakPolarHBondContact O-CB 3.18Å; K525-Q529 VanDerWaalsContact O-CG 3.26Å; K525-Q529 WeakPolarHBondContact O-CG 3.36Å; K525-Q529 PolarHBondContact O-N 2.93Å
526	A	83.7	Confident	72.7	Confident	9 Å²	9	49.2 Å²	49.2	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-41.7	178.2	0	0	0	0	0	112.6	K419 L440 S522 W523 E524 Q529 A530	K419-A526 HydrophobicContact CB-CB 4.41Å; K419-A526 HydrophobicContact CD-CB 3.63Å; L440-A526 HydrophobicContact CD2-CB 4.09Å; S522-A526 VanDerWaalsContact O-CB 3.3Å; S522-A526 WeakPolarHBondContact O-CB 3.44Å; S522-A526 PolarHBondContact O-N 2.72Å; S522-A526 VanDerWaalsContact O-N 3.15Å; W523-A526 PolarHBondContact O-N 3.35Å; E524-A526 PolarHBondContact O-N 3.44Å; A526-Q529 PolarHBondContact O-N 3.29Å; A526-A530 WeakPolarHBondContact O-CB 3.38Å; A526-A530 PolarHBondContact O-N 2.98Å
527	I	84.9	Confident	71	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70	-42.3	177.4	-54.9	160.3	0	0	0	109.9	W438 L440 L445 L462 I465 I468 F486 I488 W523 E524 Q529 A530 L531	W438-I527 HydrophobicContact CZ3-CD1 4.12Å; L440-I527 HydrophobicContact CD1-CG1 4.37Å; L440-I527 HydrophobicContact CD2-CB 4.46Å; L440-I527 HydrophobicContact CD2-CG1 3.94Å; L445-I527 HydrophobicContact CD2-CD1 4.13Å; L462-I527 HydrophobicContact CD2-CG2 4.2Å; I465-I527 HydrophobicContact CD1-CG2 4.2Å; I468-I527 HydrophobicContact CD1-CB 3.88Å; I468-I527 HydrophobicContact CD1-CG2 3.62Å; F486-I527 HydrophobicContact CE2-CD1 4.3Å; F486-I527 HydrophobicContact CZ-CD1 4.28Å; I488-I527 HydrophobicContact CD1-CD1 4.09Å; W523-I527 HydrophobicContact CE3-CD1 4.44Å; W523-I527 HydrophobicContact CE3-CG1 4.46Å; W523-I527 VanDerWaalsContact O-CG1 3.27Å; W523-I527 WeakPolarHBondContact O-CG1 3.11Å; W523-I527 PolarHBondContact O-N 3.07Å; E524-I527 PolarHBondContact O-N 3Å; I527-Q529 VanDerWaalsContact C-N 3.29Å; I527-Q529 PolarHBondContact O-N 2.76Å; I527-A530 PolarHBondContact O-N 2.53Å; I527-A530 VanDerWaalsContact O-N 3.12Å; I527-L531 HydrophobicContact CG2-CD1 4.24Å; I527-L531 HydrophobicContact CG2-CG 4.47Å; I527-L531 VanDerWaalsContact O-CG 3.26Å; I527-L531 WeakPolarHBondContact O-CG 3.27Å; I527-L531 PolarHBondContact O-N 2.84Å
528	R	82.1	Confident	68.7	Low	103 Å²	103	56.9 Å²	56.9	39%	0.389	31%	0.307	S	S	.	.	H	α-helix	trans	-55.6	-42.3	171.4	-73.5	-178	-174.2	-72.2	-1.3	112	I468 E524 K525 L531 M532	I468-R528 HydrophobicContact CD1-CG 3.97Å; I468-R528 PolarHBondContact O-NH1 2.73Å; I468-R528 PolarHBondContact O-NH2 2.87Å; E524-R528 WeakPolarHBondContact O-CB 3.3Å; E524-R528 VanDerWaalsContact O-CG 3.31Å; E524-R528 WeakPolarHBondContact O-CG 3.49Å; E524-R528 PolarHBondContact O-N 2.72Å; E524-R528 IonicContact OE1-CZ 2.82Å; E524-R528 IonicContact OE1-NE 2.75Å; E524-R528 PolarHBondContact OE1-NE 3.09Å; E524-R528 IonicContact OE1-NH2 3.72Å; E524-R528 PolarHBondContact OE1-NH2 3.41Å; K525-R528 PolarHBondContact O-N 3.44Å; R528-L531 PolarHBondContact O-N 3.29Å; R528-M532 PolarHBondContact O-N 3.37Å
529	Q	75	Confident	66.4	Low	93 Å²	93	57.4 Å²	57.4	44%	0.435	32%	0.318	S	S	.	.	H	α-helix	trans	-66.6	-38.9	175	-75.2	174.7	-26.7	0	0	112.9	K525 A526 I527 L531 M532	K525-Q529 WeakPolarHBondContact O-CB 3.18Å; K525-Q529 VanDerWaalsContact O-CG 3.26Å; K525-Q529 WeakPolarHBondContact O-CG 3.36Å; K525-Q529 PolarHBondContact O-N 2.93Å; A526-Q529 PolarHBondContact O-N 3.29Å; I527-Q529 VanDerWaalsContact C-N 3.29Å; I527-Q529 PolarHBondContact O-N 2.76Å; Q529-L531 VanDerWaalsContact C-N 3.29Å; Q529-L531 PolarHBondContact O-N 3.18Å; Q529-M532 CarbonylContact O-C 3.53Å; Q529-M532 PolarHBondContact O-N 2.8Å; Q529-M532 VanDerWaalsContact O-N 3.07Å
530	A	75.1	Confident	63.8	Low	6 Å²	6	61.8 Å²	61.8	5%	0.05	35%	0.345	C	S	.	.	H	α-helix	trans	-69.5	-24.2	175.1	0	0	0	0	0	113.4	L440 L462 A526 I527 M532 P533	L440-A530 HydrophobicContact CD1-CB 3.93Å; L440-A530 HydrophobicContact CD2-CB 3.92Å; L440-A530 HydrophobicContact CG-CB 4.11Å; L462-A530 HydrophobicContact CD1-CB 3.89Å; A526-A530 WeakPolarHBondContact O-CB 3.38Å; A526-A530 PolarHBondContact O-N 2.98Å; I527-A530 PolarHBondContact O-N 2.53Å; I527-A530 VanDerWaalsContact O-N 3.12Å; A530-M532 VanDerWaalsContact C-N 3.33Å; A530-P533 WeakPolarHBondContact O-CD 3.49Å
531	L	73.6	Confident	60.9	Low	16 Å²	16	67.6 Å²	67.6	8%	0.084	38%	0.384	C	S	.	.	H	α-helix	trans	-76.8	-18.6	169.5	-64.9	166.9	0	0	0	112.7	L462 I465 I468 I527 R528 Q529 P533	L462-L531 HydrophobicContact CB-CD2 4.16Å; L462-L531 HydrophobicContact CD2-CD2 4.4Å; L462-L531 WeakPolarHBondContact O-CD2 3.26Å; I465-L531 HydrophobicContact CB-CD2 4.28Å; I465-L531 HydrophobicContact CG2-CD1 4.12Å; I465-L531 HydrophobicContact CG2-CD2 4.45Å; I468-L531 HydrophobicContact CD1-CD1 3.64Å; I468-L531 HydrophobicContact CG1-CD1 4.11Å; I527-L531 HydrophobicContact CG2-CD1 4.24Å; I527-L531 HydrophobicContact CG2-CG 4.47Å; I527-L531 VanDerWaalsContact O-CG 3.26Å; I527-L531 WeakPolarHBondContact O-CG 3.27Å; I527-L531 PolarHBondContact O-N 2.84Å; R528-L531 PolarHBondContact O-N 3.29Å; Q529-L531 VanDerWaalsContact C-N 3.29Å; Q529-L531 PolarHBondContact O-N 3.18Å; L531-P533 VanDerWaalsContact C-CD 3.44Å
532	M	66.2	Low	58.2	Low	65 Å²	65	68.4 Å²	68.4	32%	0.32	40%	0.396	S	S	.	.	S	Bend	trans	-124.5	54.9	177.5	-61.5	-171	80.8	0	0	113.2	R528 Q529 A530 V534 T535 D569	R528-M532 PolarHBondContact O-N 3.37Å; Q529-M532 CarbonylContact O-C 3.53Å; Q529-M532 PolarHBondContact O-N 2.8Å; Q529-M532 VanDerWaalsContact O-N 3.07Å; A530-M532 VanDerWaalsContact C-N 3.33Å; M532-V534 PolarHBondContact O-N 3.44Å; M532-T535 PolarHBondContact O-N 3.04Å; M532-T535 PolarHBondContact O-OG1 2.84Å; M532-D569 WeakPolarHBondContact CE-OD1 3.19Å
533	P	52.3	Low	55.3	Low	47 Å²	47	71.4 Å²	71.4	31%	0.305	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	5.7	-163.2	31.5	-37.7	0	0	0	115.5	A530 L531 I576 A578	A530-P533 WeakPolarHBondContact O-CD 3.49Å; L531-P533 VanDerWaalsContact C-CD 3.44Å; P533-I576 WeakPolarHBondContact CG-O 3.28Å; P533-A578 HydrophobicContact CB-CB 3.78Å; P533-A578 HydrophobicContact CG-CB 3.82Å
534	V	50.2	Low	52.8	Low	20 Å²	20	77.6 Å²	77.6	12%	0.121	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-17.7	-177.6	-161.1	0	0	0	0	112.3	F198 M532 P536 I576 A578 Y591 V606 R647	F198-V534 HydrophobicContact CD1-CG1 4.43Å; M532-V534 PolarHBondContact O-N 3.44Å; V534-P536 WeakPolarHBondContact O-CD 3.22Å; V534-I576 HydrophobicContact CG2-CB 4.35Å; V534-I576 HydrophobicContact CG2-CD1 4.41Å; V534-I576 HydrophobicContact CG2-CG2 3.87Å; V534-A578 HydrophobicContact CG2-CB 4.43Å; V534-Y591 HydrophobicContact CG1-CE2 4.22Å; V534-V606 HydrophobicContact CG1-CG1 4.31Å; V534-R647 PolarHBondContact O-NH1 3.02Å; V534-R647 PolarHBondContact O-NH2 3.2Å
535	T	42.8	Very low	50.1	Low	65 Å²	65	79.2 Å²	79.2	40%	0.399	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-89.7	120.1	-177.5	37.6	0	0	0	0	112.3	M532	M532-T535 PolarHBondContact O-N 3.04Å; M532-T535 PolarHBondContact O-OG1 2.84Å
536	P	34.3	Very low	47.5	Very low	88 Å²	88	83.3 Å²	83.3	57%	0.571	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-54.5	159.4	152.2	-19.4	33.2	0	0	0	110.2	V534 A538	V534-P536 WeakPolarHBondContact O-CD 3.22Å; P536-A538 PolarHBondContact O-N 2.92Å
537	Q	32.3	Very low	45.2	Very low	155 Å²	155	86.5 Å²	86.5	72%	0.724	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-56.2	123.8	-167.8	-57.7	-170.4	32.9	0	0	112.8	S539	Q537-S539 PolarHBondContact O-N 3.33Å
538	A	26.6	Very low	42.6	Very low	88 Å²	88	95.8 Å²	95.8	73%	0.727	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.2	159.1	0	0	0	0	0	108.3	P536 V540	P536-A538 PolarHBondContact O-N 2.92Å; A538-V540 PolarHBondContact O-N 2.92Å; A538-V540 VanDerWaalsContact O-N 3.15Å
539	S	26.9	Very low	40.2	Very low	107 Å²	107	98.8 Å²	98.8	75%	0.748	60%	0.604	S	S	*	*			trans	-68.8	107.4	173.4	49	0	0	0	0	109.1	Q537 C541	Q537-S539 PolarHBondContact O-N 3.33Å; S539-C541 PolarHBondContact O-N 3.09Å
540	V	26.1	Very low	38.1	Very low	117 Å²	117	102.8 Å²	102.8	71%	0.709	62%	0.622	S	S	*	*			trans	-73.7	99.2	-176.5	178	0	0	0	0	109.9	A538 T542	A538-V540 PolarHBondContact O-N 2.92Å; A538-V540 VanDerWaalsContact O-N 3.15Å; V540-T542 HydrophobicContact CG1-CG2 3.74Å; V540-T542 PolarHBondContact O-N 2.89Å
541	C	22.7	Very low	36	Very low	123 Å²	123	112.4 Å²	112.4	83%	0.831	66%	0.663	S	S	*	*			trans	-79.4	102.3	170.2	-66.2	0	0	0	0	110.1	S539	S539-C541 PolarHBondContact O-N 3.09Å
542	T	25.1	Very low	34	Very low	116 Å²	116	118.4 Å²	118.4	71%	0.712	70%	0.695	S	S	*	*			trans	-119.6	103.8	172.3	45	0	0	0	0	111.6	V540	V540-T542 HydrophobicContact CG1-CG2 3.74Å; V540-T542 PolarHBondContact O-N 2.89Å
543	S	24.5	Very low	32.4	Very low	120 Å²	120	123.1 Å²	123.1	84%	0.839	72%	0.72	S	S	*	*			trans	-164.1	129.6	148.7	-82	0	0	0	0	109.4
544	P	35.5	Very low	31.2	Very low	136 Å²	136	125.8 Å²	125.8	88%	0.883	74%	0.74	S	S	*	*			trans	-86.8	130.6	178.8	32.8	-32	0	0	0	112
545	G	28.5	Very low	30.1	Very low	72 Å²	72	129.3 Å²	129.3	74%	0.742	76%	0.762	S	S	*	*			trans	96.2	98.7	157.2	0	0	0	0	0	117.2
546	Q	28.1	Very low	29.6	Very low	203 Å²	203	130.3 Å²	130.3	95%	0.949	77%	0.772	S	S	*	*				-164.7	137.9	112.1	-101.8	176.6	21.9	0	0	109.2
547	G	37.3	Very low	29.8	Very low	77 Å²	77	127.1 Å²	127.1	79%	0.794	75%	0.749	S	S	*	*			trans	-87.1	133.8	-174.1	0	0	0	0	0	113.4
548	K	29.4	Very low	29.7	Very low	195 Å²	195	125.5 Å²	125.5	85%	0.848	76%	0.755	S	S	*	*			trans	-160.3	147.2	153.9	-111.6	165.2	-173.8	174.7	0	110.1	H550	K548-H550 PolarHBondContact O-N 3.26Å
549	D	32.4	Very low	30.2	Very low	165 Å²	165	123.5 Å²	123.5	88%	0.882	73%	0.734	S	S	*	*			trans	-72.3	107.4	-162.4	-51.7	-98.3	0	0	0	113.7
550	H	30	Very low	30.6	Very low	178 Å²	178	122.7 Å²	122.7	82%	0.824	73%	0.728	S	S	*	*			trans	-99.4	123.1	154.7	-90.6	-96.3	0	0	0	109.2	K548 D552	K548-H550 PolarHBondContact O-N 3.26Å; H550-D552 PolarHBondContact O-N 3.04Å; H550-D552 VanDerWaalsContact O-N 3.16Å
551	K	31.4	Very low	31.3	Very low	208 Å²	208	124.1 Å²	124.1	90%	0.904	73%	0.732	S	S	*	*			trans	-76.3	96.2	170.9	-81.1	-177.1	171.7	179	0	109.4	L553	K551-L553 PolarHBondContact O-N 3.33Å
552	D	30.9	Very low	32.3	Very low	141 Å²	141	119.5 Å²	119.5	75%	0.754	70%	0.701	S	S	*	*			trans	-60.9	130.2	165.5	-76.7	-40.7	0	0	0	110.3	H550 S554	H550-D552 PolarHBondContact O-N 3.04Å; H550-D552 VanDerWaalsContact O-N 3.16Å; D552-S554 PolarHBondContact O-N 3.1Å
553	L	32.7	Very low	33.5	Very low	164 Å²	164	121.9 Å²	121.9	86%	0.859	70%	0.704	S	S	*	*			trans	-83.3	58.7	174.5	-168.8	65.1	0	0	0	110	K551 T555	K551-L553 PolarHBondContact O-N 3.33Å; L553-T555 PolarHBondContact O-N 3.17Å; L553-T555 PolarHBondContact O-OG1 3.3Å
554	S	26.9	Very low	35.1	Very low	103 Å²	103	117.1 Å²	117.1	72%	0.72	67%	0.669	S	S	*	*			trans	-66.4	93.2	179.6	45.1	0	0	0	0	110.7	D552 S556	D552-S554 PolarHBondContact O-N 3.1Å; S554-S556 VanDerWaalsContact C-N 3.25Å; S554-S556 PolarHBondContact O-N 3.14Å
555	T	28.5	Very low	36.1	Very low	94 Å²	94	114.1 Å²	114.1	58%	0.577	64%	0.643	S	S	*	*			trans	-83.3	71.4	177.1	-52	0	0	0	0	109.5	L553 I557	L553-T555 PolarHBondContact O-N 3.17Å; L553-T555 PolarHBondContact O-OG1 3.3Å; T555-I557 VanDerWaalsContact O-CG1 3.27Å; T555-I557 WeakPolarHBondContact O-CG1 3.5Å; T555-I557 PolarHBondContact O-N 2.86Å
556	S	31.1	Very low	37.3	Very low	87 Å²	87	115.1 Å²	115.1	61%	0.608	63%	0.628	S	S	*	*			trans	-54	126.1	179.7	58	0	0	0	0	111.6	S554	S554-S556 VanDerWaalsContact C-N 3.25Å; S554-S556 PolarHBondContact O-N 3.14Å
557	I	38.1	Very low	38.5	Very low	20 Å²	20	113.3 Å²	113.3	10%	0.103	63%	0.625	C	S	.	*			trans	-107.5	65.9	-175.7	-43.1	174.8	0	0	0	109.7	T555 V559 I564 E566 R621	T555-I557 VanDerWaalsContact O-CG1 3.27Å; T555-I557 WeakPolarHBondContact O-CG1 3.5Å; T555-I557 PolarHBondContact O-N 2.86Å; I557-V559 HydrophobicContact CG2-CG2 3.91Å; I557-V559 PolarHBondContact O-N 3.45Å; I557-I564 HydrophobicContact CB-CD1 4.08Å; I557-I564 HydrophobicContact CG2-CD1 4.35Å; I557-I564 WeakPolarHBondContact O-CD1 3.39Å; I557-E566 PolarHBondContact N-OE1 2.86Å; I557-R621 VanDerWaalsContact CD1-NH2 3.34Å
558	S	31	Very low	39.7	Very low	121 Å²	121	112.6 Å²	112.6	85%	0.846	61%	0.605	S	S	*	*			trans	-66.8	106.2	172.9	-164.2	0	0	0	0	110.1
559	V	37.3	Very low	41.8	Very low	47 Å²	47	106.3 Å²	106.3	29%	0.285	58%	0.581	S	S	.	*			trans	-113.8	117.5	167.3	-161.5	0	0	0	0	107.3	I557	I557-V559 HydrophobicContact CG2-CG2 3.91Å; I557-V559 PolarHBondContact O-N 3.45Å
560	S	36.1	Very low	44.3	Very low	90 Å²	90	98.8 Å²	98.8	63%	0.629	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	158	-171.7	32	0	0	0	0	113.2	C562	S560-C562 VanDerWaalsContact C-N 3.32Å; S560-C562 PolarHBondContact O-N 2.99Å
561	N	39	Very low	46.6	Very low	146 Å²	146	91.3 Å²	91.3	78%	0.781	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-16.4	176.2	-51.9	-6	0	0	0	117.2
562	C	43.8	Very low	48.9	Very low	27 Å²	27	84.7 Å²	84.7	18%	0.182	49%	0.486	C	S	.	.	S	Bend	trans	-140.5	103	156.6	176.5	0	0	0	0	109.1	S560 I564 Q628	S560-C562 VanDerWaalsContact C-N 3.32Å; S560-C562 PolarHBondContact O-N 2.99Å; C562-I564 PolarHBondContact O-N 3.15Å; C562-Q628 HydrophobicContact CB-CG 4.04Å; C562-Q628 PolarHBondContact O-NE2 3.4Å; C562-Q628 VanDerWaalsContact O-NE2 3.14Å
563	Q	50.3	Low	51.4	Low	165 Å²	165	79.6 Å²	79.6	77%	0.771	46%	0.46	S	S	*	.			trans	-60.1	121.8	-176.4	-66.8	179.8	-5.8	0	0	110.6	Q565	Q563-Q565 PolarHBondContact O-N 2.88Å
564	I	58.2	Low	54	Low	21 Å²	21	72.2 Å²	72.2	11%	0.108	42%	0.42	C	S	.	.			trans	-63.3	119.8	163.1	-50.3	-174.2	0	0	0	106.3	I557 C562 E566 M641 E643	I557-I564 HydrophobicContact CB-CD1 4.08Å; I557-I564 HydrophobicContact CG2-CD1 4.35Å; I557-I564 WeakPolarHBondContact O-CD1 3.39Å; C562-I564 PolarHBondContact O-N 3.15Å; I564-E566 HydrophobicContact CG2-CG 4.38Å; I564-E566 PolarHBondContact O-N 2.94Å; I564-M641 HydrophobicContact CD1-CE 3.46Å; I564-M641 VanDerWaalsContact CD1-CE 3.46Å; I564-M641 HydrophobicContact CG1-CE 3.75Å; I564-M641 HydrophobicContact CG2-CE 4.32Å; I564-E643 HydrophobicContact CG2-CB 3.79Å
565	Q	58	Low	56.9	Low	73 Å²	73	67.3 Å²	67.3	34%	0.341	39%	0.386	S	S	.	.			trans	-81.3	70.2	-178.4	-63.2	-167.4	3.4	0	0	110.6	Q563 N567 V568 M641 F642	Q563-Q565 PolarHBondContact O-N 2.88Å; Q565-N567 PolarHBondContact O-N 3.18Å; Q565-V568 HydrophobicContact CB-CB 3.88Å; Q565-V568 HydrophobicContact CB-CG2 3.92Å; Q565-V568 PolarHBondContact O-N 3.21Å; Q565-M641 PolarHBondContact N-O 3.01Å; Q565-F642 HydrophobicContact CB-CD1 3.93Å; Q565-F642 HydrophobicContact CB-CE1 3.93Å; Q565-F642 HydrophobicContact CG-CE1 4.39Å
566	E	52.8	Low	59.6	Low	92 Å²	92	63.5 Å²	63.5	43%	0.43	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	131	169.7	-63.7	-176.7	-176.2	0	0	109.3	I557 I564 V568	I557-E566 PolarHBondContact N-OE1 2.86Å; I564-E566 HydrophobicContact CG2-CG 4.38Å; I564-E566 PolarHBondContact O-N 2.94Å; E566-V568 VanDerWaalsContact C-N 3.31Å; E566-V568 PolarHBondContact O-N 3.32Å
567	N	53.1	Low	62	Low	166 Å²	166	60 Å²	60	89%	0.888	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	5.8	-177.6	-44.1	-76.8	0	0	0	117.2	Q565	Q565-N567 PolarHBondContact O-N 3.18Å
568	V	63.8	Low	63.7	Low	61 Å²	61	60.1 Å²	60.1	37%	0.37	34%	0.34	S	S	.	.			trans	-97	120.3	167.4	-175.7	0	0	0	0	109.7	Q565 E566 I570 V573 F642	Q565-V568 HydrophobicContact CB-CB 3.88Å; Q565-V568 HydrophobicContact CB-CG2 3.92Å; Q565-V568 PolarHBondContact O-N 3.21Å; E566-V568 VanDerWaalsContact C-N 3.31Å; E566-V568 PolarHBondContact O-N 3.32Å; V568-I570 PolarHBondContact O-N 2.8Å; V568-V573 HydrophobicContact CG1-CG2 4.35Å; V568-F642 HydrophobicContact CB-CD1 4.43Å; V568-F642 HydrophobicContact CB-CE1 4.21Å; V568-F642 HydrophobicContact CG1-CE1 3.97Å; V568-F642 WeakPolarHBondContact O-CD1 3.14Å
569	D	73.3	Confident	65.7	Low	63 Å²	63	58.3 Å²	58.3	34%	0.337	32%	0.32	S	S	.	.			trans	-70.3	115.6	171.4	175	16	0	0	0	110.3	M532 S571 T572	M532-D569 WeakPolarHBondContact CE-OD1 3.19Å; D569-S571 VanDerWaalsContact CG-OG 3.27Å; D569-S571 PolarHBondContact O-N 3.08Å; D569-S571 VanDerWaalsContact OD1-CB 3.32Å; D569-S571 WeakPolarHBondContact OD1-CB 3.36Å; D569-S571 PolarHBondContact OD1-N 3.37Å; D569-S571 PolarHBondContact OD1-OG 3.16Å; D569-S571 WeakPolarHBondContact OD2-CB 3.44Å; D569-S571 PolarHBondContact OD2-OG 3.2Å; D569-T572 HydrophobicContact CB-CG2 4.28Å; D569-T572 WeakPolarHBondContact O-CB 3.27Å; D569-T572 PolarHBondContact O-N 3.44Å; D569-T572 PolarHBondContact O-OG1 3.25Å
570	I	83.2	Confident	67.5	Low	7 Å²	7	58.8 Å²	58.8	4%	0.036	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-48.5	-31.9	173.9	-172.9	171.4	0	0	0	112.7	V568 T572 V573 Y574 I604 F642 F649 V651	V568-I570 PolarHBondContact O-N 2.8Å; I570-T572 PolarHBondContact O-N 3.43Å; I570-T572 VanDerWaalsContact O-N 3.13Å; I570-V573 PolarHBondContact O-N 3.37Å; I570-Y574 HydrophobicContact CG1-CD2 3.95Å; I570-Y574 PolarHBondContact O-N 3.05Å; I570-I604 HydrophobicContact CD1-CG2 4.35Å; I570-F642 HydrophobicContact CB-CB 4.13Å; I570-F642 HydrophobicContact CB-CD1 4.05Å; I570-F642 HydrophobicContact CB-CD2 3.9Å; I570-F642 HydrophobicContact CB-CE1 4.45Å; I570-F642 HydrophobicContact CB-CE2 4.31Å; I570-F642 HydrophobicContact CB-CG 3.76Å; I570-F642 HydrophobicContact CD1-CB 4.49Å; I570-F642 HydrophobicContact CD1-CD2 3.63Å; I570-F642 HydrophobicContact CD1-CE2 4.15Å; I570-F642 HydrophobicContact CD1-CG 4.24Å; I570-F642 HydrophobicContact CG1-CD2 3.64Å; I570-F642 HydrophobicContact CG1-CE2 3.83Å; I570-F642 HydrophobicContact CG1-CG 4.07Å; I570-F642 HydrophobicContact CG1-CZ 4.41Å; I570-F649 HydrophobicContact CD1-CB 3.48Å; I570-F649 VanDerWaalsContact CD1-CB 3.48Å; I570-F649 HydrophobicContact CD1-CD1 3.75Å; I570-F649 HydrophobicContact CD1-CG 3.72Å; I570-F649 HydrophobicContact CG2-CD1 4.31Å; I570-F649 HydrophobicContact CG2-CD2 4.39Å; I570-F649 HydrophobicContact CG2-CE1 4.26Å; I570-F649 HydrophobicContact CG2-CE2 4.33Å; I570-F649 HydrophobicContact CG2-CG 4.39Å; I570-F649 HydrophobicContact CG2-CZ 4.27Å; I570-V651 HydrophobicContact CD1-CG2 4.26Å
571	S	79.4	Confident	69.4	Low	22 Å²	22	57 Å²	57	15%	0.154	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-62	-20.1	179.5	97.2	0	0	0	0	113.7	D569 R596	D569-S571 VanDerWaalsContact CG-OG 3.27Å; D569-S571 PolarHBondContact O-N 3.08Å; D569-S571 VanDerWaalsContact OD1-CB 3.32Å; D569-S571 WeakPolarHBondContact OD1-CB 3.36Å; D569-S571 PolarHBondContact OD1-N 3.37Å; D569-S571 PolarHBondContact OD1-OG 3.16Å; D569-S571 WeakPolarHBondContact OD2-CB 3.44Å; D569-S571 PolarHBondContact OD2-OG 3.2Å; S571-R596 PolarHBondContact O-NE 3.33Å; S571-R596 PolarHBondContact O-NH2 3.1Å; S571-R596 VanDerWaalsContact O-NH2 3.09Å
572	T	80.3	Confident	71.1	Confident	69 Å²	69	52.8 Å²	52.8	42%	0.423	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-82.8	-20.8	177.1	66.3	0	0	0	0	113.4	D569 I570	D569-T572 HydrophobicContact CB-CG2 4.28Å; D569-T572 WeakPolarHBondContact O-CB 3.27Å; D569-T572 PolarHBondContact O-N 3.44Å; D569-T572 PolarHBondContact O-OG1 3.25Å; I570-T572 PolarHBondContact O-N 3.43Å; I570-T572 VanDerWaalsContact O-N 3.13Å
573	V	83.3	Confident	72.3	Confident	34 Å²	34	52.6 Å²	52.6	21%	0.206	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-37.5	-177.4	-169.5	0	0	0	0	111.3	V568 I570 R596 F642	V568-V573 HydrophobicContact CG1-CG2 4.35Å; I570-V573 PolarHBondContact O-N 3.37Å; V573-R596 WeakPolarHBondContact O-CB 3.49Å; V573-R596 WeakPolarHBondContact O-CG 3.27Å; V573-R596 PolarHBondContact O-N 3.2Å; V573-F642 HydrophobicContact CB-CZ 4.32Å; V573-F642 HydrophobicContact CG2-CE1 4.47Å; V573-F642 HydrophobicContact CG2-CZ 4.24Å
574	Y	87.3	Confident	72.8	Confident	8 Å²	8	46.7 Å²	46.7	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.2	-176.8	-57.8	-89	0	0	0	112.1	I570 K594 H595 R596 V602 I604 E639 C640 F642 V651	I570-Y574 HydrophobicContact CG1-CD2 3.95Å; I570-Y574 PolarHBondContact O-N 3.05Å; Y574-K594 CarbonylContact C-O 3.56Å; Y574-K594 VanDerWaalsContact CA-O 3.3Å; Y574-K594 WeakPolarHBondContact CA-O 3.18Å; Y574-H595 HydrophobicContact CD1-CB 3.81Å; Y574-H595 HydrophobicContact CE1-CB 3.6Å; Y574-H595 AromaticContact CE1-CD2 3.64Å; Y574-H595 AromaticContact CE1-CG 3.77Å; Y574-H595 AromaticContact CZ-CD2 3.8Å; Y574-R596 PolarHBondContact O-NE 2.99Å; Y574-R596 VanDerWaalsContact O-NE 3.13Å; Y574-R596 PolarHBondContact O-NH2 3.3Å; Y574-V602 HydrophobicContact CD1-CG1 4.47Å; Y574-V602 HydrophobicContact CD1-CG2 3.84Å; Y574-V602 HydrophobicContact CE1-CG1 4.14Å; Y574-V602 HydrophobicContact CE1-CG2 4.31Å; Y574-I604 HydrophobicContact CG-CD1 4.47Å; Y574-E639 PolarHBondContact OH-OE1 3.19Å; Y574-E639 VanDerWaalsContact OH-OE1 3.06Å; Y574-C640 PolarHBondContact OH-SG 3.41Å; Y574-F642 AromaticContact CD2-CE2 3.84Å; Y574-F642 HydrophobicContact CD2-CE2 3.84Å; Y574-F642 HydrophobicContact CD2-CZ 4.15Å; Y574-F642 AromaticContact CE2-CE2 3.54Å; Y574-F642 HydrophobicContact CE2-CE2 3.54Å; Y574-F642 AromaticContact CE2-CZ 3.8Å; Y574-F642 HydrophobicContact CE2-CZ 3.8Å; Y574-V651 HydrophobicContact CD1-CG1 4.24Å; Y574-V651 HydrophobicContact CD2-CG2 4.44Å; Y574-V651 HydrophobicContact CE1-CG1 3.72Å; Y574-V651 HydrophobicContact CE2-CG2 4.26Å
575	Q	86.8	Confident	72.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.6	160	-168.6	-170.6	-3.6	0	0	109.2	L462 S463 F577 G593 K594	L462-Q575 VanDerWaalsContact C-OE1 3.22Å; S463-Q575 VanDerWaalsContact CA-OE1 3.27Å; S463-Q575 VanDerWaalsContact CB-OE1 3.24Å; S463-Q575 PolarHBondContact OG-OE1 3.03Å; Q575-F577 HydrophobicContact CG-CD1 4.38Å; Q575-F577 HydrophobicContact CG-CE1 4.18Å; Q575-G593 CarbonylContact O-C 3.52Å; Q575-G593 WeakPolarHBondContact O-CA 3.21Å; Q575-K594 PolarHBondContact N-O 2.82Å; Q575-K594 PolarHBondContact O-N 3.32Å
576	I	85.8	Confident	72.4	Confident	14 Å²	14	44.5 Å²	44.5	7%	0.072	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.1	172.2	-54.2	170.8	0	0	0	108.8	P533 V534 A578 Y591 I604 V606 F649	P533-I576 WeakPolarHBondContact CG-O 3.28Å; V534-I576 HydrophobicContact CG2-CB 4.35Å; V534-I576 HydrophobicContact CG2-CD1 4.41Å; V534-I576 HydrophobicContact CG2-CG2 3.87Å; I576-A578 PolarHBondContact O-N 3Å; I576-Y591 HydrophobicContact CG2-CD1 4.44Å; I576-Y591 HydrophobicContact CG2-CD2 4.16Å; I576-Y591 HydrophobicContact CG2-CG 3.83Å; I576-I604 HydrophobicContact CD1-CG2 4.3Å; I576-I604 HydrophobicContact CG1-CD1 3.8Å; I576-I604 HydrophobicContact CG1-CG2 4.41Å; I576-V606 HydrophobicContact CD1-CG2 4.37Å; I576-F649 HydrophobicContact CD1-CD1 3.84Å; I576-F649 HydrophobicContact CD1-CE1 3.69Å
577	F	82.1	Confident	72.7	Confident	15 Å²	15	40.3 Å²	40.3	7%	0.066	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	93.9	177.5	-55.6	-49.8	0	0	0	110.5	Q575 D579 E580 G592 K594	Q575-F577 HydrophobicContact CG-CD1 4.38Å; Q575-F577 HydrophobicContact CG-CE1 4.18Å; F577-D579 PolarHBondContact O-N 3.31Å; F577-D579 VanDerWaalsContact O-N 3.09Å; F577-E580 HydrophobicContact CB-CB 3.79Å; F577-E580 PolarHBondContact O-N 2.86Å; F577-G592 WeakPolarHBondContact CB-O 3.5Å; F577-G592 PolarHBondContact N-O 3.02Å; F577-K594 HydrophobicContact CE2-CB 4.5Å; F577-K594 HydrophobicContact CE2-CD 4.49Å; F577-K594 HydrophobicContact CE2-CG 4.05Å; F577-K594 HydrophobicContact CZ-CB 4.17Å; F577-K594 HydrophobicContact CZ-CD 4.08Å; F577-K594 HydrophobicContact CZ-CG 3.95Å
578	A	72.5	Confident	73.5	Confident	22 Å²	22	32.7 Å²	32.7	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-13.6	-175.2	0	0	0	0	0	115.3	P533 V534 I576 Y591	P533-A578 HydrophobicContact CB-CB 3.78Å; P533-A578 HydrophobicContact CG-CB 3.82Å; V534-A578 HydrophobicContact CG2-CB 4.43Å; I576-A578 PolarHBondContact O-N 3Å; A578-Y591 HydrophobicContact CB-CE1 4.49Å
579	D	73.3	Confident	74	Confident	82 Å²	82	29.8 Å²	29.8	44%	0.439	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-16.4	170.1	67.9	-82.1	0	0	0	114	S442 K443 F577 V581	S442-D579 PolarHBondContact OG-OD1 3.16Å; K443-D579 VanDerWaalsContact CE-CG 3.4Å; K443-D579 WeakPolarHBondContact CE-OD1 3.44Å; K443-D579 WeakPolarHBondContact CE-OD2 3.25Å; K443-D579 IonicContact NZ-OD1 3.49Å; K443-D579 IonicContact NZ-OD2 3.17Å; K443-D579 PolarHBondContact NZ-OD2 2.86Å; F577-D579 PolarHBondContact O-N 3.31Å; F577-D579 VanDerWaalsContact O-N 3.09Å; D579-V581 PolarHBondContact O-N 3.42Å
580	E	75.3	Confident	74.4	Confident	57 Å²	57	28.1 Å²	28.1	27%	0.266	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	73.4	179.1	-163.1	-180	153.7	0	0	110.8	F577 L582 Y591 G592 K654	F577-E580 HydrophobicContact CB-CB 3.79Å; F577-E580 PolarHBondContact O-N 2.86Å; E580-L582 HydrophobicContact CG-CD2 4.18Å; E580-L582 PolarHBondContact O-N 3.47Å; E580-Y591 CarbonylContact O-C 3.5Å; E580-Y591 WeakPolarHBondContact O-CA 3.24Å; E580-G592 PolarHBondContact O-N 3.37Å; E580-K654 VanDerWaalsContact OE1-CE 3.24Å; E580-K654 WeakPolarHBondContact OE1-CE 3.3Å; E580-K654 IonicContact OE1-NZ 2.74Å; E580-K654 PolarHBondContact OE1-NZ 2.83Å; E580-K654 IonicContact OE2-NZ 2.63Å
581	V	76.4	Confident	74.5	Confident	52 Å²	52	28.1 Å²	28.1	32%	0.315	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	109.5	170.7	173.3	0	0	0	0	109.1	D579 I589 Y591	D579-V581 PolarHBondContact O-N 3.42Å; V581-I589 HydrophobicContact CB-CG2 4.43Å; V581-I589 HydrophobicContact CG1-CG2 3.81Å; V581-I589 HydrophobicContact CG2-CG2 3.99Å; V581-Y591 HydrophobicContact CG2-CD1 3.97Å; V581-Y591 HydrophobicContact CG2-CE1 3.67Å
582	L	75.2	Confident	74.8	Confident	59 Å²	59	27 Å²	27	31%	0.309	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-37.9	175.2	-59.2	177.2	0	0	0	111.3	I407 E580 V590 A603 K654	I407-L582 VanDerWaalsContact CD1-O 3.3Å; I407-L582 WeakPolarHBondContact CD1-O 3.35Å; E580-L582 HydrophobicContact CG-CD2 4.18Å; E580-L582 PolarHBondContact O-N 3.47Å; L582-V590 HydrophobicContact CB-CG1 4.3Å; L582-V590 HydrophobicContact CD1-CG1 4.44Å; L582-V590 PolarHBondContact N-O 3.16Å; L582-A603 HydrophobicContact CD1-CB 4.01Å; L582-K654 HydrophobicContact CD1-CG 4.14Å
583	G	68.2	Low	75.2	Confident	22 Å²	22	23.8 Å²	23.8	23%	0.227	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	176.9	-176.8	0	0	0	0	0	113.8	V590	G583-V590 PolarHBondContact N-O 3.31Å; G583-V590 VanDerWaalsContact N-O 3.14Å; G583-V590 PolarHBondContact O-N 3Å
584	S	60.8	Low	75.5	Confident	42 Å²	42	24.9 Å²	24.9	29%	0.294	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	102.4	176	64	0	0	0	0	111	K194	K194-S584 VanDerWaalsContact CB-OG 3.32Å; K194-S584 WeakPolarHBondContact CB-OG 3.43Å; K194-S584 WeakPolarHBondContact CD-O 3.38Å
585	G	55.1	Low	75.6	Confident	15 Å²	15	25.9 Å²	25.9	16%	0.155	15%	0.149	C	C	.	.			trans	-80.8	-160.7	-178.5	0	0	0	0	0	113	G588	G585-G588 PolarHBondContact N-O 3.28Å
586	Q	53.1	Low	75.5	Confident	32 Å²	32	26.6 Å²	26.6	15%	0.15	15%	0.152	C	C	.	.	S	Bend	trans	-66.2	-46.9	175.5	171.7	173.7	-25.5	0	0	112.4	V159	V159-Q586 HydrophobicContact CG2-CB 4.45Å; V159-Q586 HydrophobicContact CG2-CG 3.94Å
587	F	58.8	Low	75.3	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.018	19%	0.186	C	C	.	.	S	Bend	trans	-97.8	-9.7	-165.8	-50	-72.3	0	0	0	114.3	I607 F612 Q616 Q619	F587-I607 HydrophobicContact CB-CD1 3.91Å; F587-I607 HydrophobicContact CB-CG1 4.06Å; F587-I607 HydrophobicContact CB-CG2 4.32Å; F587-I607 WeakPolarHBondContact O-CG2 3.37Å; F587-F612 WeakPolarHBondContact O-CD2 3.5Å; F587-F612 VanDerWaalsContact O-CE2 3.26Å; F587-F612 WeakPolarHBondContact O-CE2 3.44Å; F587-Q616 HydrophobicContact CD1-CB 4.06Å; F587-Q616 VanDerWaalsContact CD1-OE1 3.22Å; F587-Q616 HydrophobicContact CE1-CB 3.82Å; F587-Q616 HydrophobicContact CE1-CG 4.08Å; F587-Q616 VanDerWaalsContact CE1-OE1 3.29Å; F587-Q619 HydrophobicContact CE1-CB 4.26Å; F587-Q619 HydrophobicContact CZ-CB 3.88Å
588	G	69.7	Low	75.5	Confident	6 Å²	6	37.9 Å²	37.9	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	175.3	-167.2	0	0	0	0	0	115.3	G585 V606	G585-G588 PolarHBondContact N-O 3.28Å; G588-V606 WeakPolarHBondContact CA-O 3.19Å
589	I	74.9	Confident	76	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.5	171.1	-70.3	177.5	0	0	0	109	F198 V581 Y591 V606	F198-I589 HydrophobicContact CB-CD1 4.06Å; F198-I589 HydrophobicContact CD2-CB 4.21Å; F198-I589 HydrophobicContact CD2-CD1 3.31Å; F198-I589 HydrophobicContact CD2-CG1 3.54Å; F198-I589 HydrophobicContact CE2-CB 4.14Å; F198-I589 HydrophobicContact CE2-CD1 4.04Å; F198-I589 HydrophobicContact CE2-CG1 3.71Å; F198-I589 HydrophobicContact CG-CD1 3.88Å; F198-I589 HydrophobicContact CG-CG1 4.42Å; V581-I589 HydrophobicContact CB-CG2 4.43Å; V581-I589 HydrophobicContact CG1-CG2 3.81Å; V581-I589 HydrophobicContact CG2-CG2 3.99Å; I589-Y591 HydrophobicContact CB-CD2 4.28Å; I589-Y591 HydrophobicContact CB-CE2 3.7Å; I589-Y591 HydrophobicContact CG2-CD1 4.21Å; I589-Y591 HydrophobicContact CG2-CD2 3.73Å; I589-Y591 HydrophobicContact CG2-CE1 3.92Å; I589-Y591 HydrophobicContact CG2-CE2 3.4Å; I589-Y591 VanDerWaalsContact CG2-CE2 3.4Å; I589-Y591 HydrophobicContact CG2-CG 4.13Å; I589-V606 PolarHBondContact N-O 2.83Å; I589-V606 PolarHBondContact O-N 2.71Å
590	V	81.8	Confident	76.9	Confident	27 Å²	27	39.9 Å²	39.9	16%	0.164	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.7	168.7	-173.4	0	0	0	0	108.2	L582 G583 A603 I604 K605	L582-V590 HydrophobicContact CB-CG1 4.3Å; L582-V590 HydrophobicContact CD1-CG1 4.44Å; L582-V590 PolarHBondContact N-O 3.16Å; G583-V590 PolarHBondContact N-O 3.31Å; G583-V590 VanDerWaalsContact N-O 3.14Å; G583-V590 PolarHBondContact O-N 3Å; V590-A603 HydrophobicContact CG1-CB 3.99Å; V590-I604 WeakPolarHBondContact CA-O 3.49Å; V590-K605 HydrophobicContact CG2-CB 4.15Å; V590-K605 HydrophobicContact CG2-CG 4.07Å
591	Y	84.1	Confident	77.6	Confident	7 Å²	7	40 Å²	40	3%	0.027	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	151.7	176.3	-66.6	-87.1	0	0	0	110.9	V534 I576 A578 E580 V581 I589 I604 V606	V534-Y591 HydrophobicContact CG1-CE2 4.22Å; I576-Y591 HydrophobicContact CG2-CD1 4.44Å; I576-Y591 HydrophobicContact CG2-CD2 4.16Å; I576-Y591 HydrophobicContact CG2-CG 3.83Å; A578-Y591 HydrophobicContact CB-CE1 4.49Å; E580-Y591 CarbonylContact O-C 3.5Å; E580-Y591 WeakPolarHBondContact O-CA 3.24Å; V581-Y591 HydrophobicContact CG2-CD1 3.97Å; V581-Y591 HydrophobicContact CG2-CE1 3.67Å; I589-Y591 HydrophobicContact CB-CD2 4.28Å; I589-Y591 HydrophobicContact CB-CE2 3.7Å; I589-Y591 HydrophobicContact CG2-CD1 4.21Å; I589-Y591 HydrophobicContact CG2-CD2 3.73Å; I589-Y591 HydrophobicContact CG2-CE1 3.92Å; I589-Y591 HydrophobicContact CG2-CE2 3.4Å; I589-Y591 VanDerWaalsContact CG2-CE2 3.4Å; I589-Y591 HydrophobicContact CG2-CG 4.13Å; Y591-I604 PolarHBondContact N-O 3.49Å; Y591-I604 PolarHBondContact O-N 2.81Å; Y591-V606 HydrophobicContact CD2-CB 4.27Å; Y591-V606 HydrophobicContact CD2-CG2 3.7Å; Y591-V606 HydrophobicContact CE2-CB 4.18Å; Y591-V606 HydrophobicContact CE2-CG2 4.01Å
592	G	86.6	Confident	78.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	150.6	160.2	0	0	0	0	0	110.4	F577 E580	F577-G592 WeakPolarHBondContact CB-O 3.5Å; F577-G592 PolarHBondContact N-O 3.02Å; E580-G592 PolarHBondContact O-N 3.37Å
593	G	89	Confident	79.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	179.2	174.5	0	0	0	0	0	111.9	Q575 D601 V602	Q575-G593 CarbonylContact O-C 3.52Å; Q575-G593 WeakPolarHBondContact O-CA 3.21Å; G593-D601 WeakPolarHBondContact O-CA 3.44Å; G593-V602 PolarHBondContact N-O 3.32Å; G593-V602 PolarHBondContact O-N 3.22Å
594	K	88.8	Confident	80.1	Confident	57 Å²	57	34.1 Å²	34.1	25%	0.248	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.2	171.5	-83.2	-178.4	178.8	-85	0	111.3	Y574 Q575 F577 R596 G599 R600 D601	Y574-K594 CarbonylContact C-O 3.56Å; Y574-K594 VanDerWaalsContact CA-O 3.3Å; Y574-K594 WeakPolarHBondContact CA-O 3.18Å; Q575-K594 PolarHBondContact N-O 2.82Å; Q575-K594 PolarHBondContact O-N 3.32Å; F577-K594 HydrophobicContact CE2-CB 4.5Å; F577-K594 HydrophobicContact CE2-CD 4.49Å; F577-K594 HydrophobicContact CE2-CG 4.05Å; F577-K594 HydrophobicContact CZ-CB 4.17Å; F577-K594 HydrophobicContact CZ-CD 4.08Å; F577-K594 HydrophobicContact CZ-CG 3.95Å; K594-R596 PolarHBondContact O-N 3.37Å; K594-G599 WeakPolarHBondContact CD-O 3.05Å; K594-G599 PolarHBondContact NZ-O 3.11Å; K594-R600 CarbonylContact C-O 3.59Å; K594-R600 VanDerWaalsContact CA-O 3.32Å; K594-R600 WeakPolarHBondContact CA-O 3.49Å; K594-D601 WeakPolarHBondContact CE-OD2 3.44Å; K594-D601 IonicContact NZ-OD1 3.44Å; K594-D601 IonicContact NZ-OD2 3.65Å; K594-D601 PolarHBondContact NZ-OD2 3.1Å
595	H	88.8	Confident	81.2	Confident	29 Å²	29	32.3 Å²	32.3	13%	0.134	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	120.9	164	-174	-36.3	0	0	0	108.6	Y574 K597 T598 G599 R600 E639	Y574-H595 HydrophobicContact CD1-CB 3.81Å; Y574-H595 HydrophobicContact CE1-CB 3.6Å; Y574-H595 AromaticContact CE1-CD2 3.64Å; Y574-H595 AromaticContact CE1-CG 3.77Å; Y574-H595 AromaticContact CZ-CD2 3.8Å; H595-K597 PolarHBondContact ND1-N 2.95Å; H595-T598 WeakPolarHBondContact CB-OG1 3.47Å; H595-T598 PolarHBondContact O-N 3.35Å; H595-G599 WeakPolarHBondContact O-CA 3.02Å; H595-G599 PolarHBondContact O-N 3.03Å; H595-R600 PolarHBondContact N-O 3.35Å; H595-E639 IonicContact CD2-OE1 2.9Å
596	R	84.6	Confident	82.5	Confident	15 Å²	15	31.6 Å²	31.6	6%	0.057	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-52.9	-170.4	-65.2	175.6	-179.7	-73.8	-3.7	113.3	L462 I465 L466 S571 V573 Y574 K594 T598	L462-R596 PolarHBondContact O-NH1 2.89Å; I465-R596 WeakPolarHBondContact O-CD 3.18Å; I465-R596 PolarHBondContact O-NH1 3.44Å; L466-R596 HydrophobicContact CD2-CB 3.9Å; S571-R596 PolarHBondContact O-NE 3.33Å; S571-R596 PolarHBondContact O-NH2 3.1Å; S571-R596 VanDerWaalsContact O-NH2 3.09Å; V573-R596 WeakPolarHBondContact O-CB 3.49Å; V573-R596 WeakPolarHBondContact O-CG 3.27Å; V573-R596 PolarHBondContact O-N 3.2Å; Y574-R596 PolarHBondContact O-NE 2.99Å; Y574-R596 VanDerWaalsContact O-NE 3.13Å; Y574-R596 PolarHBondContact O-NH2 3.3Å; K594-R596 PolarHBondContact O-N 3.37Å; R596-T598 VanDerWaalsContact C-N 3.32Å; R596-T598 PolarHBondContact O-N 3.13Å
597	K	82.1	Confident	83.6	Confident	182 Å²	182	30.5 Å²	30.5	79%	0.791	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.9	-178.2	-170.7	-177.4	175.7	-172.8	0	114.6	H595	H595-K597 PolarHBondContact ND1-N 2.95Å
598	T	86.9	Confident	84.3	Confident	85 Å²	85	30.8 Å²	30.8	52%	0.521	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-9	-172.4	59.9	0	0	0	0	113.7	H595 R596 R600	H595-T598 WeakPolarHBondContact CB-OG1 3.47Å; H595-T598 PolarHBondContact O-N 3.35Å; R596-T598 VanDerWaalsContact C-N 3.32Å; R596-T598 PolarHBondContact O-N 3.13Å; T598-R600 PolarHBondContact O-N 3.5Å
599	G	83.6	Confident	84.5	Confident	36 Å²	36	33.5 Å²	33.5	37%	0.371	17%	0.168	S	C	.	.			trans	68	-6.4	-175.4	0	0	0	0	0	115.3	K594 H595	K594-G599 WeakPolarHBondContact CD-O 3.05Å; K594-G599 PolarHBondContact NZ-O 3.11Å; H595-G599 WeakPolarHBondContact O-CA 3.02Å; H595-G599 PolarHBondContact O-N 3.03Å
600	R	90.4	Very high	84.1	Confident	110 Å²	110	38.7 Å²	38.7	42%	0.415	19%	0.193	S	C	.	.			trans	-66.3	135.4	-175.6	177.1	168	53.9	68.7	1.9	111.5	K594 H595 T598 E639	K594-R600 CarbonylContact C-O 3.59Å; K594-R600 VanDerWaalsContact CA-O 3.32Å; K594-R600 WeakPolarHBondContact CA-O 3.49Å; H595-R600 PolarHBondContact N-O 3.35Å; T598-R600 PolarHBondContact O-N 3.5Å; R600-E639 IonicContact CZ-OE1 4Å; R600-E639 IonicContact CZ-OE2 2.73Å; R600-E639 IonicContact NH1-OE1 2.93Å; R600-E639 IonicContact NH1-OE2 3.87Å; R600-E639 PolarHBondContact NH1-OE2 2.89Å; R600-E639 IonicContact NH2-OE1 2.79Å; R600-E639 PolarHBondContact NH2-OE1 2.77Å; R600-E639 IonicContact NH2-OE2 3.49Å; R600-E639 PolarHBondContact NH2-OE2 3.36Å
601	D	91.2	Very high	83.3	Confident	59 Å²	59	38 Å²	38	32%	0.316	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.9	173.3	-74.4	-90.7	0	0	0	112.4	G593 K594 K654	G593-D601 WeakPolarHBondContact O-CA 3.44Å; K594-D601 WeakPolarHBondContact CE-OD2 3.44Å; K594-D601 IonicContact NZ-OD1 3.44Å; K594-D601 IonicContact NZ-OD2 3.65Å; K594-D601 PolarHBondContact NZ-OD2 3.1Å; D601-K654 HydrophobicContact CB-CB 4.25Å; D601-K654 HydrophobicContact CB-CD 3.67Å; D601-K654 IonicContact OD1-NZ 2.69Å; D601-K654 PolarHBondContact OD1-NZ 2.85Å
602	V	92.1	Very high	82.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.5	-179.3	-70.1	0	0	0	0	111.5	Y574 G593 I604 E639 V651 M652	Y574-V602 HydrophobicContact CD1-CG1 4.47Å; Y574-V602 HydrophobicContact CD1-CG2 3.84Å; Y574-V602 HydrophobicContact CE1-CG1 4.14Å; Y574-V602 HydrophobicContact CE1-CG2 4.31Å; G593-V602 PolarHBondContact N-O 3.32Å; G593-V602 PolarHBondContact O-N 3.22Å; V602-I604 HydrophobicContact CG2-CD1 3.82Å; V602-I604 HydrophobicContact CG2-CG1 3.91Å; V602-E639 WeakPolarHBondContact CG1-OE2 3.38Å; V602-V651 HydrophobicContact CB-CG1 4.03Å; V602-V651 HydrophobicContact CG1-CG1 4.06Å; V602-V651 HydrophobicContact CG2-CG1 4.33Å; V602-M652 WeakPolarHBondContact CA-O 3.4Å; V602-M652 WeakPolarHBondContact CB-O 3.21Å
603	A	90.9	Very high	80.7	Confident	10 Å²	10	41 Å²	41	8%	0.083	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.7	169	0	0	0	0	0	109.5	L582 V590 M652	L582-A603 HydrophobicContact CD1-CB 4.01Å; V590-A603 HydrophobicContact CG1-CB 3.99Å; A603-M652 PolarHBondContact N-O 3.05Å; A603-M652 PolarHBondContact O-N 3.07Å
604	I	88.6	Confident	79	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	107.9	-172.7	-57.3	175.1	0	0	0	109.4	I570 Y574 I576 V590 Y591 V602 V606 F649 V650 V651	I570-I604 HydrophobicContact CD1-CG2 4.35Å; Y574-I604 HydrophobicContact CG-CD1 4.47Å; I576-I604 HydrophobicContact CD1-CG2 4.3Å; I576-I604 HydrophobicContact CG1-CD1 3.8Å; I576-I604 HydrophobicContact CG1-CG2 4.41Å; V590-I604 WeakPolarHBondContact CA-O 3.49Å; Y591-I604 PolarHBondContact N-O 3.49Å; Y591-I604 PolarHBondContact O-N 2.81Å; V602-I604 HydrophobicContact CG2-CD1 3.82Å; V602-I604 HydrophobicContact CG2-CG1 3.91Å; I604-V606 HydrophobicContact CG2-CG2 4.04Å; I604-V606 PolarHBondContact O-N 3.33Å; I604-F649 HydrophobicContact CG2-CB 4.36Å; I604-F649 HydrophobicContact CG2-CD1 4.27Å; I604-V650 WeakPolarHBondContact CA-O 3.45Å; I604-V651 HydrophobicContact CG1-CG1 4.35Å; I604-V651 HydrophobicContact CG1-CG2 4.34Å
605	K	84.7	Confident	77.2	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.017	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	104.5	175.9	-168.6	-178.2	-163.7	179	0	108.3	V590 I607 E623 V650 M652 D720	V590-K605 HydrophobicContact CG2-CB 4.15Å; V590-K605 HydrophobicContact CG2-CG 4.07Å; K605-I607 HydrophobicContact CG-CG1 4.5Å; K605-E623 IonicContact NZ-OE1 3.44Å; K605-E623 PolarHBondContact NZ-OE1 3.04Å; K605-E623 IonicContact NZ-OE2 2.67Å; K605-E623 PolarHBondContact NZ-OE2 3.42Å; K605-V650 HydrophobicContact CB-CB 4.15Å; K605-V650 PolarHBondContact N-O 2.93Å; K605-V650 PolarHBondContact O-N 3.4Å; K605-M652 HydrophobicContact CB-CE 3.88Å; K605-D720 IonicContact NZ-OD1 2.68Å; K605-D720 PolarHBondContact NZ-OD1 3.14Å
606	V	82.7	Confident	75.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.9	-179.6	-174.2	0	0	0	0	109.6	F198 V534 I576 G588 I589 Y591 I604 F649	F198-V606 HydrophobicContact CE1-CG1 4.1Å; F198-V606 VanDerWaalsContact CZ-O 3.24Å; F198-V606 WeakPolarHBondContact CZ-O 3.44Å; V534-V606 HydrophobicContact CG1-CG1 4.31Å; I576-V606 HydrophobicContact CD1-CG2 4.37Å; G588-V606 WeakPolarHBondContact CA-O 3.19Å; I589-V606 PolarHBondContact N-O 2.83Å; I589-V606 PolarHBondContact O-N 2.71Å; Y591-V606 HydrophobicContact CD2-CB 4.27Å; Y591-V606 HydrophobicContact CD2-CG2 3.7Å; Y591-V606 HydrophobicContact CE2-CB 4.18Å; Y591-V606 HydrophobicContact CE2-CG2 4.01Å; I604-V606 HydrophobicContact CG2-CG2 4.04Å; I604-V606 PolarHBondContact O-N 3.33Å; V606-F649 HydrophobicContact CB-CD1 4.44Å; V606-F649 HydrophobicContact CG1-CD1 4.12Å; V606-F649 HydrophobicContact CG1-CE1 3.85Å; V606-F649 HydrophobicContact CG1-CZ 4.44Å; V606-F649 HydrophobicContact CG2-CD1 3.79Å; V606-F649 HydrophobicContact CG2-CE1 4.04Å
607	I	75.9	Confident	74.1	Confident	9 Å²	9	57.5 Å²	57.5	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.1	-177	-63.1	174.8	0	0	0	108.9	F587 K605 L620 R647 V648	F587-I607 HydrophobicContact CB-CD1 3.91Å; F587-I607 HydrophobicContact CB-CG1 4.06Å; F587-I607 HydrophobicContact CB-CG2 4.32Å; F587-I607 WeakPolarHBondContact O-CG2 3.37Å; K605-I607 HydrophobicContact CG-CG1 4.5Å; I607-L620 HydrophobicContact CD1-CD1 3.44Å; I607-L620 VanDerWaalsContact CD1-CD1 3.44Å; I607-L620 HydrophobicContact CD1-CD2 3.71Å; I607-L620 HydrophobicContact CD1-CG 4.19Å; I607-L620 HydrophobicContact CG2-CD2 4.19Å; I607-R647 VanDerWaalsContact O-CA 3.23Å; I607-R647 WeakPolarHBondContact O-CA 3.36Å; I607-R647 WeakPolarHBondContact O-CB 3.49Å; I607-R647 WeakPolarHBondContact O-CG 3.41Å; I607-V648 HydrophobicContact CB-CB 4.35Å; I607-V648 PolarHBondContact N-O 2.78Å; I607-V648 PolarHBondContact O-N 2.81Å; I607-V648 VanDerWaalsContact O-N 3.1Å
608	D	73.6	Confident	73.1	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.053	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	103.9	-175.3	-168.2	-57.6	0	0	0	110.2	F198 M610 R611 F612 R647	F198-D608 HydrophobicContact CE1-CB 3.91Å; F198-D608 HydrophobicContact CZ-CB 4.09Å; D608-M610 VanDerWaalsContact C-N 3.26Å; D608-M610 PolarHBondContact O-N 3.02Å; D608-M610 PolarHBondContact OD1-N 2.86Å; D608-R611 HydrophobicContact CB-CB 4.21Å; D608-R611 PolarHBondContact O-N 2.78Å; D608-R611 WeakPolarHBondContact OD1-CG 3.44Å; D608-R611 PolarHBondContact OD1-N 3.03Å; D608-R611 VanDerWaalsContact OD1-N 3.1Å; D608-R611 IonicContact OD2-NH1 3.98Å; D608-F612 WeakPolarHBondContact O-CD2 3.35Å; D608-F612 PolarHBondContact O-N 3.07Å; D608-F612 VanDerWaalsContact O-N 3.15Å; D608-R647 IonicContact OD2-NE 3.93Å; D608-R647 IonicContact OD2-NH2 2.78Å; D608-R647 PolarHBondContact OD2-NH2 3.26Å
609	K	72.9	Confident	71.8	Confident	63 Å²	63	51.3 Å²	51.3	27%	0.274	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34	-175	-64.1	174.6	171	-180	0	111.9	R611 E643 T644 P645 E646	K609-R611 VanDerWaalsContact C-N 3.32Å; K609-R611 PolarHBondContact O-N 2.98Å; K609-E643 WeakPolarHBondContact CE-OE1 3.4Å; K609-E643 VanDerWaalsContact NZ-CG 3.35Å; K609-E643 IonicContact NZ-OE1 2.86Å; K609-E643 PolarHBondContact NZ-OE1 2.97Å; K609-T644 WeakPolarHBondContact CE-O 3.38Å; K609-T644 PolarHBondContact NZ-O 2.64Å; K609-P645 VanDerWaalsContact CD-O 3.27Å; K609-P645 WeakPolarHBondContact CD-O 3.29Å; K609-E646 VanDerWaalsContact CB-O 3.26Å; K609-E646 WeakPolarHBondContact CB-O 3.2Å; K609-E646 PolarHBondContact N-O 2.81Å
610	M	67.7	Low	70.9	Confident	110 Å²	110	50.4 Å²	50.4	54%	0.542	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-24.3	-179.2	-62.6	-57.9	-73.5	0	0	112.8	D608 E646	D608-M610 VanDerWaalsContact C-N 3.26Å; D608-M610 PolarHBondContact O-N 3.02Å; D608-M610 PolarHBondContact OD1-N 2.86Å; M610-E646 HydrophobicContact CG-CB 4.49Å
611	R	64.3	Low	69.7	Low	12 Å²	12	50.1 Å²	50.1	5%	0.045	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-17.5	178.6	-69.8	171.9	172.8	171.4	-12	114.1	P154 L157 A197 F198 I200 N202 D608 K609	P154-R611 HydrophobicContact CB-CG 4.48Å; L157-R611 PolarHBondContact N-O 2.83Å; L157-R611 VanDerWaalsContact N-O 3.17Å; A197-R611 PolarHBondContact O-NH1 3.28Å; F198-R611 PolarHBondContact O-NH1 2.67Å; I200-R611 PolarHBondContact O-NH2 3.23Å; N202-R611 PolarHBondContact OD1-NE 3.29Å; N202-R611 PolarHBondContact OD1-NH2 3.27Å; D608-R611 HydrophobicContact CB-CB 4.21Å; D608-R611 PolarHBondContact O-N 2.78Å; D608-R611 WeakPolarHBondContact OD1-CG 3.44Å; D608-R611 PolarHBondContact OD1-N 3.03Å; D608-R611 VanDerWaalsContact OD1-N 3.1Å; D608-R611 IonicContact OD2-NH1 3.98Å; K609-R611 VanDerWaalsContact C-N 3.32Å; K609-R611 PolarHBondContact O-N 2.98Å
612	F	61.5	Low	68.7	Low	17 Å²	17	49.2 Å²	49.2	8%	0.075	25%	0.25	C	C	.	.	S	Bend	trans	-127.3	56.1	178.2	-55.9	-69.5	0	0	0	114.9	L157 L183 F587 D608	L157-F612 HydrophobicContact CB-CE1 4.07Å; L157-F612 VanDerWaalsContact O-CD1 3.26Å; L157-F612 WeakPolarHBondContact O-CD1 3.47Å; L157-F612 WeakPolarHBondContact O-CE1 3.42Å; L183-F612 HydrophobicContact CD1-CE1 4.28Å; L183-F612 HydrophobicContact CD1-CZ 4.08Å; L183-F612 HydrophobicContact CD2-CE1 4.45Å; F587-F612 WeakPolarHBondContact O-CD2 3.5Å; F587-F612 VanDerWaalsContact O-CE2 3.26Å; F587-F612 WeakPolarHBondContact O-CE2 3.44Å; D608-F612 WeakPolarHBondContact O-CD2 3.35Å; D608-F612 PolarHBondContact O-N 3.07Å; D608-F612 VanDerWaalsContact O-N 3.15Å
613	P	54.3	Low	67.9	Low	52 Å²	52	49.5 Å²	49.5	34%	0.338	25%	0.251	S	S	.	.			trans	-73	161.5	-166.4	-17.7	33.9	0	0	0	116.7	K615	P613-K615 VanDerWaalsContact C-N 3.32Å; P613-K615 PolarHBondContact O-N 3.34Å
614	T	52.3	Low	66.9	Low	138 Å²	138	49.3 Å²	49.3	85%	0.847	25%	0.248	S	C	*	.	S	Bend	trans	55.4	6	147.9	58.1	0	0	0	0	121.9
615	K	51	Low	66.2	Low	177 Å²	177	51 Å²	51	77%	0.77	26%	0.263	S	S	*	.	S	Bend	trans	-134.9	-28.7	157.3	-92.2	179.6	-179.1	165.8	0	114.9	P613 S618	P613-K615 VanDerWaalsContact C-N 3.32Å; P613-K615 PolarHBondContact O-N 3.34Å; K615-S618 PolarHBondContact O-OG 3.48Å
616	Q	52.9	Low	66	Low	42 Å²	42	51 Å²	51	20%	0.196	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-16.2	-170.7	-66.6	179	49.3	0	0	113.7	F587 S618 Q619 L620	F587-Q616 HydrophobicContact CD1-CB 4.06Å; F587-Q616 VanDerWaalsContact CD1-OE1 3.22Å; F587-Q616 HydrophobicContact CE1-CB 3.82Å; F587-Q616 HydrophobicContact CE1-CG 4.08Å; F587-Q616 VanDerWaalsContact CE1-OE1 3.29Å; Q616-S618 PolarHBondContact O-N 2.94Å; Q616-Q619 WeakPolarHBondContact O-CA 3.11Å; Q616-Q619 VanDerWaalsContact O-CB 3.32Å; Q616-Q619 WeakPolarHBondContact O-CB 3.38Å; Q616-Q619 PolarHBondContact O-N 2.96Å; Q616-L620 PolarHBondContact O-N 2.86Å
617	E	57.3	Low	65.7	Low	92 Å²	92	51.3 Å²	51.3	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-55	-39.1	173.1	-164.2	-163.2	146.8	0	0	112.6	Q619 L620 R621	E617-Q619 PolarHBondContact O-N 3.04Å; E617-L620 PolarHBondContact O-N 2.94Å; E617-R621 WeakPolarHBondContact O-CB 3.49Å; E617-R621 WeakPolarHBondContact O-CG 3.33Å; E617-R621 PolarHBondContact O-N 2.86Å; E617-R621 IonicContact OE1-CZ 3.88Å; E617-R621 IonicContact OE1-NE 3.82Å; E617-R621 PolarHBondContact OE1-NE 2.68Å; E617-R621 IonicContact OE1-NH2 2.89Å; E617-R621 PolarHBondContact OE1-NH2 3.36Å
618	S	60.1	Low	65.8	Low	81 Å²	81	51.5 Å²	51.5	57%	0.566	27%	0.265	S	S	*	.	H	α-helix	trans	-62.3	-27	173.6	67.2	0	0	0	0	113.8	K615 Q616 N622	K615-S618 PolarHBondContact O-OG 3.48Å; Q616-S618 PolarHBondContact O-N 2.94Å; S618-N622 VanDerWaalsContact O-CB 3.28Å; S618-N622 WeakPolarHBondContact O-CB 3.5Å; S618-N622 PolarHBondContact O-N 3.22Å
619	Q	60.7	Low	66	Low	55 Å²	55	55.3 Å²	55.3	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-82.2	-38.4	177.4	-57.5	-178.5	-18.5	0	0	110.4	F587 Q616 E617 N622 E623	F587-Q619 HydrophobicContact CE1-CB 4.26Å; F587-Q619 HydrophobicContact CZ-CB 3.88Å; Q616-Q619 WeakPolarHBondContact O-CA 3.11Å; Q616-Q619 VanDerWaalsContact O-CB 3.32Å; Q616-Q619 WeakPolarHBondContact O-CB 3.38Å; Q616-Q619 PolarHBondContact O-N 2.96Å; E617-Q619 PolarHBondContact O-N 3.04Å; Q619-N622 PolarHBondContact O-N 2.83Å; Q619-E623 PolarHBondContact O-N 2.88Å
620	L	63.5	Low	66.6	Low	18 Å²	18	52.6 Å²	52.6	9%	0.094	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-49.1	173.1	179.1	56.3	0	0	0	112.3	I607 Q616 E617 N622 E623 V624 V648 V650	I607-L620 HydrophobicContact CD1-CD1 3.44Å; I607-L620 VanDerWaalsContact CD1-CD1 3.44Å; I607-L620 HydrophobicContact CD1-CD2 3.71Å; I607-L620 HydrophobicContact CD1-CG 4.19Å; I607-L620 HydrophobicContact CG2-CD2 4.19Å; Q616-L620 PolarHBondContact O-N 2.86Å; E617-L620 PolarHBondContact O-N 2.94Å; L620-N622 PolarHBondContact O-N 3.29Å; L620-E623 PolarHBondContact O-N 3.34Å; L620-E623 VanDerWaalsContact O-N 3.1Å; L620-V624 HydrophobicContact CD1-CG2 4.03Å; L620-V624 VanDerWaalsContact O-CG2 3.31Å; L620-V624 WeakPolarHBondContact O-CG2 3.46Å; L620-V624 PolarHBondContact O-N 3.4Å; L620-V648 HydrophobicContact CD2-CB 3.94Å; L620-V648 HydrophobicContact CD2-CG1 4.1Å; L620-V648 HydrophobicContact CD2-CG2 3.79Å; L620-V650 HydrophobicContact CD1-CG2 4.48Å
621	R	66.3	Low	67.5	Low	103 Å²	103	54 Å²	54	39%	0.389	28%	0.279	S	S	.	.	H	α-helix	trans	-55	-36.6	173.4	-70.1	177.6	-176.5	-133.1	9	111.3	I557 E617 A625	I557-R621 VanDerWaalsContact CD1-NH2 3.34Å; E617-R621 WeakPolarHBondContact O-CB 3.49Å; E617-R621 WeakPolarHBondContact O-CG 3.33Å; E617-R621 PolarHBondContact O-N 2.86Å; E617-R621 IonicContact OE1-CZ 3.88Å; E617-R621 IonicContact OE1-NE 3.82Å; E617-R621 PolarHBondContact OE1-NE 2.68Å; E617-R621 IonicContact OE1-NH2 2.89Å; E617-R621 PolarHBondContact OE1-NH2 3.36Å; R621-A625 WeakPolarHBondContact O-CB 3.3Å; R621-A625 PolarHBondContact O-N 3.17Å
622	N	70.4	Confident	68.8	Low	41 Å²	41	55 Å²	55	22%	0.219	28%	0.284	C	S	.	.	H	α-helix	trans	-72.9	-41.5	174.8	168.1	106.4	0	0	0	113.1	S618 Q619 L620 I626 A724	S618-N622 VanDerWaalsContact O-CB 3.28Å; S618-N622 WeakPolarHBondContact O-CB 3.5Å; S618-N622 PolarHBondContact O-N 3.22Å; Q619-N622 PolarHBondContact O-N 2.83Å; L620-N622 PolarHBondContact O-N 3.29Å; N622-I626 WeakPolarHBondContact O-CB 3.49Å; N622-I626 VanDerWaalsContact O-CG1 3.25Å; N622-I626 WeakPolarHBondContact O-CG1 3.38Å; N622-I626 PolarHBondContact O-N 2.86Å; N622-A724 PolarHBondContact ND2-O 3.03Å
623	E	73.9	Confident	70.4	Confident	5 Å²	5	55.1 Å²	55.1	2%	0.023	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-47.7	174	177.4	170.4	-162.8	0	0	110.7	K605 Q619 L620 I626 L627 F721 G722	K605-E623 IonicContact NZ-OE1 3.44Å; K605-E623 PolarHBondContact NZ-OE1 3.04Å; K605-E623 IonicContact NZ-OE2 2.67Å; K605-E623 PolarHBondContact NZ-OE2 3.42Å; Q619-E623 PolarHBondContact O-N 2.88Å; L620-E623 PolarHBondContact O-N 3.34Å; L620-E623 VanDerWaalsContact O-N 3.1Å; E623-I626 PolarHBondContact O-N 3.32Å; E623-L627 HydrophobicContact CG-CD1 4.01Å; E623-L627 WeakPolarHBondContact O-CB 3.42Å; E623-L627 WeakPolarHBondContact O-CG 3.2Å; E623-L627 PolarHBondContact O-N 2.96Å; E623-F721 HydrophobicContact CG-CB 4.06Å; E623-F721 PolarHBondContact OE1-N 2.85Å; E623-G722 VanDerWaalsContact CD-N 3.31Å; E623-G722 PolarHBondContact OE1-N 2.9Å; E623-G722 WeakPolarHBondContact OE2-CA 3.5Å
624	V	70.1	Confident	72.3	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-50.1	178.7	174.9	0	0	0	0	111.2	L620 I626 L627 Q628 M641	L620-V624 HydrophobicContact CD1-CG2 4.03Å; L620-V624 VanDerWaalsContact O-CG2 3.31Å; L620-V624 WeakPolarHBondContact O-CG2 3.46Å; L620-V624 PolarHBondContact O-N 3.4Å; V624-I626 VanDerWaalsContact C-N 3.26Å; V624-I626 PolarHBondContact O-N 2.94Å; V624-L627 PolarHBondContact O-N 2.82Å; V624-Q628 HydrophobicContact CG1-CG 4.21Å; V624-Q628 WeakPolarHBondContact O-CB 3.37Å; V624-Q628 VanDerWaalsContact O-CG 3.29Å; V624-Q628 WeakPolarHBondContact O-CG 3.32Å; V624-Q628 PolarHBondContact O-N 3.01Å; V624-M641 HydrophobicContact CB-SD 4.38Å; V624-M641 HydrophobicContact CG1-CE 4.05Å; V624-M641 HydrophobicContact CG1-SD 4.02Å; V624-M641 HydrophobicContact CG2-CE 4.24Å; V624-M641 HydrophobicContact CG2-SD 3.44Å; V624-M641 WeakPolarHBondContact CG2-SD 3.4Å
625	A	74.3	Confident	74.3	Confident	36 Å²	36	46.3 Å²	46.3	30%	0.298	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-28.9	179.4	0	0	0	0	0	113.2	R621 N629	R621-A625 WeakPolarHBondContact O-CB 3.3Å; R621-A625 PolarHBondContact O-N 3.17Å; A625-N629 PolarHBondContact O-ND2 2.89Å
626	I	80.4	Confident	76.3	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-53.7	170.5	-75.4	171.9	0	0	0	109.9	N622 E623 V624 Q628 N629 L630 I695 F721 A724	N622-I626 WeakPolarHBondContact O-CB 3.49Å; N622-I626 VanDerWaalsContact O-CG1 3.25Å; N622-I626 WeakPolarHBondContact O-CG1 3.38Å; N622-I626 PolarHBondContact O-N 2.86Å; E623-I626 PolarHBondContact O-N 3.32Å; V624-I626 VanDerWaalsContact C-N 3.26Å; V624-I626 PolarHBondContact O-N 2.94Å; I626-Q628 PolarHBondContact O-N 2.92Å; I626-N629 PolarHBondContact O-N 3.14Å; I626-L630 HydrophobicContact CG2-CD1 3.58Å; I626-L630 HydrophobicContact CG2-CG 4.42Å; I626-L630 WeakPolarHBondContact O-CG 3.5Å; I626-L630 PolarHBondContact O-N 2.73Å; I626-I695 HydrophobicContact CG2-CD1 4.29Å; I626-I695 HydrophobicContact CG2-CG2 4.18Å; I626-F721 HydrophobicContact CG2-CD1 3.81Å; I626-F721 HydrophobicContact CG2-CE1 4.5Å; I626-F721 HydrophobicContact CG2-CG 4.45Å; I626-A724 HydrophobicContact CD1-CB 3.94Å; I626-A724 WeakPolarHBondContact CD1-O 3.25Å
627	L	77.4	Confident	77.9	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-41.9	-178.4	-76.6	169.8	0	0	0	113.1	E623 V624 N629 L630 V636 L638 F721	E623-L627 HydrophobicContact CG-CD1 4.01Å; E623-L627 WeakPolarHBondContact O-CB 3.42Å; E623-L627 WeakPolarHBondContact O-CG 3.2Å; E623-L627 PolarHBondContact O-N 2.96Å; V624-L627 PolarHBondContact O-N 2.82Å; L627-N629 PolarHBondContact O-N 3.02Å; L627-N629 VanDerWaalsContact O-N 3.08Å; L627-L630 PolarHBondContact O-N 2.74Å; L627-V636 HydrophobicContact CD2-CG1 4.37Å; L627-L638 HydrophobicContact CB-CB 4.21Å; L627-L638 HydrophobicContact CB-CD2 3.87Å; L627-F721 HydrophobicContact CD2-CB 4.45Å; L627-F721 HydrophobicContact CD2-CD2 3.56Å; L627-F721 HydrophobicContact CD2-CE2 3.97Å; L627-F721 HydrophobicContact CD2-CG 4.05Å; L627-F721 HydrophobicContact CG-CB 4.29Å; L627-F721 HydrophobicContact CG-CD2 4.3Å; L627-F721 HydrophobicContact CG-CG 4.39Å
628	Q	76	Confident	79.4	Confident	13 Å²	13	36.4 Å²	36.4	6%	0.061	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.6	175.9	-74	173	-36.2	0	0	113.9	C562 V624 I626 L638	C562-Q628 HydrophobicContact CB-CG 4.04Å; C562-Q628 PolarHBondContact O-NE2 3.4Å; C562-Q628 VanDerWaalsContact O-NE2 3.14Å; V624-Q628 HydrophobicContact CG1-CG 4.21Å; V624-Q628 WeakPolarHBondContact O-CB 3.37Å; V624-Q628 VanDerWaalsContact O-CG 3.29Å; V624-Q628 WeakPolarHBondContact O-CG 3.32Å; V624-Q628 PolarHBondContact O-N 3.01Å; I626-Q628 PolarHBondContact O-N 2.92Å; Q628-L638 HydrophobicContact CG-CD2 3.7Å
629	N	79.6	Confident	80.5	Confident	90 Å²	90	34.8 Å²	34.8	48%	0.481	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	10	-178.7	-72.1	-80.4	0	0	0	113.2	A625 I626 L627 K693	A625-N629 PolarHBondContact O-ND2 2.89Å; I626-N629 PolarHBondContact O-N 3.14Å; L627-N629 PolarHBondContact O-N 3.02Å; L627-N629 VanDerWaalsContact O-N 3.08Å; N629-K693 PolarHBondContact O-NZ 3.16Å
630	L	84.9	Confident	81.7	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.166	C	C	.	.			trans	-116.9	110.9	179.9	-70.5	175.2	0	0	0	111.1	I626 L627 I635 L690 K693 I695 F721	I626-L630 HydrophobicContact CG2-CD1 3.58Å; I626-L630 HydrophobicContact CG2-CG 4.42Å; I626-L630 WeakPolarHBondContact O-CG 3.5Å; I626-L630 PolarHBondContact O-N 2.73Å; L627-L630 PolarHBondContact O-N 2.74Å; L630-I635 HydrophobicContact CB-CD1 4.4Å; L630-I635 HydrophobicContact CB-CG2 4.36Å; L630-I635 HydrophobicContact CD1-CD1 4.34Å; L630-I635 HydrophobicContact CD1-CG2 4.47Å; L630-I635 HydrophobicContact CD2-CD1 4.12Å; L630-L690 HydrophobicContact CD1-CD2 3.55Å; L630-L690 HydrophobicContact CD2-CD2 3.51Å; L630-L690 HydrophobicContact CG-CD2 4.19Å; L630-K693 HydrophobicContact CD2-CD 3.59Å; L630-I695 HydrophobicContact CD1-CD1 4.45Å; L630-I695 HydrophobicContact CD2-CD1 3.86Å; L630-I695 HydrophobicContact CG-CD1 4.28Å; L630-F721 HydrophobicContact CD1-CD1 4.09Å; L630-F721 HydrophobicContact CD1-CE1 3.62Å; L630-F721 HydrophobicContact CD1-CZ 4.05Å
631	H	86.4	Confident	82.6	Confident	139 Å²	139	32.4 Å²	32.4	64%	0.644	16%	0.164	S	C	*	.			trans	-126.8	112.3	169.9	-63.2	79.9	0	0	0	106.4
632	H	92.6	Very high	83.4	Confident	34 Å²	34	27.6 Å²	27.6	16%	0.157	15%	0.146	C	C	.	.			trans	-167	135.7	-178	-178.9	-104.2	0	0	0	109.1	G634 I635 N689	H632-G634 PolarHBondContact ND1-N 2.97Å; H632-G634 VanDerWaalsContact ND1-N 3.17Å; H632-G634 PolarHBondContact O-N 3.37Å; H632-G634 VanDerWaalsContact O-N 3.09Å; H632-I635 HydrophobicContact CB-CB 4.42Å; H632-I635 HydrophobicContact CB-CD1 3.92Å; H632-I635 HydrophobicContact CB-CG1 4.14Å; H632-I635 PolarHBondContact O-N 3.34Å; H632-N689 PolarHBondContact CD2-ND2 3.33Å
633	P	94	Very high	83.8	Confident	20 Å²	20	27.7 Å²	27.7	13%	0.13	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.4	-175.2	-26.7	35.8	0	0	0	114.6	I635 K717 E850 Y852	P633-I635 VanDerWaalsContact C-N 3.33Å; P633-I635 PolarHBondContact O-N 3.1Å; P633-K717 WeakPolarHBondContact O-CE 3.32Å; P633-K717 WeakPolarHBondContact O-CG 2.98Å; P633-E850 VanDerWaalsContact CG-CD 3.46Å; P633-E850 WeakPolarHBondContact CG-OE1 3.41Å; P633-E850 VanDerWaalsContact CG-OE2 3.23Å; P633-E850 WeakPolarHBondContact CG-OE2 3.22Å; P633-Y852 HydrophobicContact CB-CD1 3.79Å; P633-Y852 HydrophobicContact CB-CD2 4.12Å; P633-Y852 HydrophobicContact CB-CE1 3.57Å; P633-Y852 HydrophobicContact CB-CE2 3.95Å; P633-Y852 HydrophobicContact CB-CG 4.06Å; P633-Y852 HydrophobicContact CG-CD1 3.84Å; P633-Y852 HydrophobicContact CG-CD2 4.26Å; P633-Y852 HydrophobicContact CG-CE1 4.17Å; P633-Y852 HydrophobicContact CG-CG 3.89Å
634	G	95	Very high	83.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	12.6	175.3	0	0	0	0	0	116.4	H632 A686 V716 K717 L718	H632-G634 PolarHBondContact ND1-N 2.97Å; H632-G634 VanDerWaalsContact ND1-N 3.17Å; H632-G634 PolarHBondContact O-N 3.37Å; H632-G634 VanDerWaalsContact O-N 3.09Å; G634-A686 WeakPolarHBondContact O-CB 3.45Å; G634-V716 WeakPolarHBondContact CA-O 3.03Å; G634-K717 WeakPolarHBondContact O-CA 3.45Å; G634-L718 PolarHBondContact O-N 2.9Å
635	I	94.4	Very high	84.1	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.026	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-128.7	141.8	-179.1	-62.6	177.3	0	0	0	109	L630 H632 P633 N637 A686 L690 F721	L630-I635 HydrophobicContact CB-CD1 4.4Å; L630-I635 HydrophobicContact CB-CG2 4.36Å; L630-I635 HydrophobicContact CD1-CD1 4.34Å; L630-I635 HydrophobicContact CD1-CG2 4.47Å; L630-I635 HydrophobicContact CD2-CD1 4.12Å; H632-I635 HydrophobicContact CB-CB 4.42Å; H632-I635 HydrophobicContact CB-CD1 3.92Å; H632-I635 HydrophobicContact CB-CG1 4.14Å; H632-I635 PolarHBondContact O-N 3.34Å; P633-I635 VanDerWaalsContact C-N 3.33Å; P633-I635 PolarHBondContact O-N 3.1Å; I635-N637 PolarHBondContact O-N 3.22Å; I635-A686 HydrophobicContact CG1-CB 4.45Å; I635-L690 HydrophobicContact CD1-CD2 3.66Å; I635-L690 HydrophobicContact CD1-CG 4.07Å; I635-F721 HydrophobicContact CG2-CE2 3.89Å; I635-F721 HydrophobicContact CG2-CZ 3.76Å
636	V	91.5	Very high	84	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.03	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-61.7	125.7	177.1	66.7	0	0	0	0	111.6	L627 M652 E653 L655 L718 C719 F721	L627-V636 HydrophobicContact CD2-CG1 4.37Å; V636-M652 HydrophobicContact CG2-CB 4.12Å; V636-M652 HydrophobicContact CG2-SD 4.45Å; V636-E653 HydrophobicContact CG2-CG 3.85Å; V636-L655 HydrophobicContact CG2-CD2 4.02Å; V636-L718 WeakPolarHBondContact CG1-O 3.42Å; V636-L718 PolarHBondContact N-O 3.16Å; V636-C719 HydrophobicContact CB-CB 4.3Å; V636-C719 HydrophobicContact CG1-CB 3.89Å; V636-F721 HydrophobicContact CG1-CE2 4.5Å
637	N	88.1	Confident	83.9	Confident	75 Å²	75	37.9 Å²	37.9	40%	0.401	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-73.9	128.3	179.7	-170.2	41.5	0	0	0	111.9	I635 M652 E653	I635-N637 PolarHBondContact O-N 3.22Å; N637-M652 WeakPolarHBondContact O-CA 3.39Å; N637-E653 HydrophobicContact CB-CG 4.14Å; N637-E653 VanDerWaalsContact CB-OE1 3.28Å; N637-E653 WeakPolarHBondContact CB-OE1 3.21Å; N637-E653 PolarHBondContact N-OE1 3.09Å; N637-E653 PolarHBondContact O-N 2.75Å
638	L	87	Confident	84	Confident	22 Å²	22	37.8 Å²	37.8	12%	0.115	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.9	169.9	174.1	65	0	0	0	109	L627 Q628 V650	L627-L638 HydrophobicContact CB-CB 4.21Å; L627-L638 HydrophobicContact CB-CD2 3.87Å; Q628-L638 HydrophobicContact CG-CD2 3.7Å; L638-V650 HydrophobicContact CD1-CG1 3.37Å
639	E	84.9	Confident	84.4	Confident	48 Å²	48	37.5 Å²	37.5	22%	0.224	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-52.1	-179.1	176.7	167.1	-174.5	0	0	111.9	Y574 H595 R600 V602 V651	Y574-E639 PolarHBondContact OH-OE1 3.19Å; Y574-E639 VanDerWaalsContact OH-OE1 3.06Å; H595-E639 IonicContact CD2-OE1 2.9Å; R600-E639 IonicContact CZ-OE1 4Å; R600-E639 IonicContact CZ-OE2 2.73Å; R600-E639 IonicContact NH1-OE1 2.93Å; R600-E639 IonicContact NH1-OE2 3.87Å; R600-E639 PolarHBondContact NH1-OE2 2.89Å; R600-E639 IonicContact NH2-OE1 2.79Å; R600-E639 PolarHBondContact NH2-OE1 2.77Å; R600-E639 IonicContact NH2-OE2 3.49Å; R600-E639 PolarHBondContact NH2-OE2 3.36Å; V602-E639 WeakPolarHBondContact CG1-OE2 3.38Å; E639-V651 HydrophobicContact CB-CB 4.48Å; E639-V651 HydrophobicContact CB-CG1 4.21Å; E639-V651 HydrophobicContact CG-CG1 4.45Å; E639-V651 PolarHBondContact N-O 2.99Å
640	C	85	Confident	84.6	Confident	12 Å²	12	33.4 Å²	33.4	8%	0.081	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	173.7	175.5	57.5	0	0	0	0	111.8	Y574 F642 V651	Y574-C640 PolarHBondContact OH-SG 3.41Å; C640-F642 VanDerWaalsContact SG-CE2 3.55Å; C640-V651 PolarHBondContact N-O 3.41Å; C640-V651 PolarHBondContact O-N 3.23Å
641	M	82	Confident	84.8	Confident	10 Å²	10	33.2 Å²	33.2	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.1	172.8	-167.8	173.9	75.6	0	0	111.6	I564 Q565 V624 V648 F649 V650	I564-M641 HydrophobicContact CD1-CE 3.46Å; I564-M641 VanDerWaalsContact CD1-CE 3.46Å; I564-M641 HydrophobicContact CG1-CE 3.75Å; I564-M641 HydrophobicContact CG2-CE 4.32Å; Q565-M641 PolarHBondContact N-O 3.01Å; V624-M641 HydrophobicContact CB-SD 4.38Å; V624-M641 HydrophobicContact CG1-CE 4.05Å; V624-M641 HydrophobicContact CG1-SD 4.02Å; V624-M641 HydrophobicContact CG2-CE 4.24Å; V624-M641 HydrophobicContact CG2-SD 3.44Å; V624-M641 WeakPolarHBondContact CG2-SD 3.4Å; M641-V648 HydrophobicContact CE-CG1 4.24Å; M641-V648 HydrophobicContact CG-CG1 3.75Å; M641-V648 HydrophobicContact SD-CG1 3.42Å; M641-V648 WeakPolarHBondContact SD-CG1 3.42Å; M641-F649 WeakPolarHBondContact CA-O 3.44Å; M641-F649 WeakPolarHBondContact CG-O 3.42Å; M641-V650 HydrophobicContact CG-CG2 4.33Å; M641-V650 HydrophobicContact SD-CG2 4.09Å
642	F	82.5	Confident	84.9	Confident	3 Å²	3	27.6 Å²	27.6	1%	0.013	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.3	170.9	-58.2	-97.7	0	0	0	110	Q565 V568 I570 V573 Y574 C640 F649 V651	Q565-F642 HydrophobicContact CB-CD1 3.93Å; Q565-F642 HydrophobicContact CB-CE1 3.93Å; Q565-F642 HydrophobicContact CG-CE1 4.39Å; V568-F642 HydrophobicContact CB-CD1 4.43Å; V568-F642 HydrophobicContact CB-CE1 4.21Å; V568-F642 HydrophobicContact CG1-CE1 3.97Å; V568-F642 WeakPolarHBondContact O-CD1 3.14Å; I570-F642 HydrophobicContact CB-CB 4.13Å; I570-F642 HydrophobicContact CB-CD1 4.05Å; I570-F642 HydrophobicContact CB-CD2 3.9Å; I570-F642 HydrophobicContact CB-CE1 4.45Å; I570-F642 HydrophobicContact CB-CE2 4.31Å; I570-F642 HydrophobicContact CB-CG 3.76Å; I570-F642 HydrophobicContact CD1-CB 4.49Å; I570-F642 HydrophobicContact CD1-CD2 3.63Å; I570-F642 HydrophobicContact CD1-CE2 4.15Å; I570-F642 HydrophobicContact CD1-CG 4.24Å; I570-F642 HydrophobicContact CG1-CD2 3.64Å; I570-F642 HydrophobicContact CG1-CE2 3.83Å; I570-F642 HydrophobicContact CG1-CG 4.07Å; I570-F642 HydrophobicContact CG1-CZ 4.41Å; V573-F642 HydrophobicContact CB-CZ 4.32Å; V573-F642 HydrophobicContact CG2-CE1 4.47Å; V573-F642 HydrophobicContact CG2-CZ 4.24Å; Y574-F642 AromaticContact CD2-CE2 3.84Å; Y574-F642 HydrophobicContact CD2-CE2 3.84Å; Y574-F642 HydrophobicContact CD2-CZ 4.15Å; Y574-F642 AromaticContact CE2-CE2 3.54Å; Y574-F642 HydrophobicContact CE2-CE2 3.54Å; Y574-F642 AromaticContact CE2-CZ 3.8Å; Y574-F642 HydrophobicContact CE2-CZ 3.8Å; C640-F642 VanDerWaalsContact SG-CE2 3.55Å; F642-F649 HydrophobicContact CB-CB 4.3Å; F642-F649 HydrophobicContact CB-CD2 4.45Å; F642-F649 PolarHBondContact N-O 3.11Å; F642-F649 PolarHBondContact O-N 3.43Å; F642-V651 HydrophobicContact CD2-CG2 4.26Å; F642-V651 HydrophobicContact CE2-CG2 4.17Å
643	E	79.6	Confident	84.8	Confident	43 Å²	43	27.9 Å²	27.9	20%	0.201	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.8	-178.6	-176.8	156.5	-176.2	0	0	110.2	I564 K609 V648	I564-E643 HydrophobicContact CG2-CB 3.79Å; K609-E643 WeakPolarHBondContact CE-OE1 3.4Å; K609-E643 VanDerWaalsContact NZ-CG 3.35Å; K609-E643 IonicContact NZ-OE1 2.86Å; K609-E643 PolarHBondContact NZ-OE1 2.97Å; E643-V648 HydrophobicContact CG-CG2 4.13Å
644	T	76.2	Confident	84.6	Confident	47 Å²	47	29.7 Å²	29.7	29%	0.288	16%	0.155	S	C	.	.			trans	-117.3	169.6	172.7	78.8	0	0	0	0	108.7	K609 E646 R647 F649	K609-T644 WeakPolarHBondContact CE-O 3.38Å; K609-T644 PolarHBondContact NZ-O 2.64Å; T644-E646 WeakPolarHBondContact CB-OE2 3.31Å; T644-E646 PolarHBondContact O-N 2.94Å; T644-E646 VanDerWaalsContact O-N 3.13Å; T644-E646 PolarHBondContact OG1-N 3.39Å; T644-E646 PolarHBondContact OG1-OE2 3.03Å; T644-R647 PolarHBondContact N-O 3.24Å; T644-R647 PolarHBondContact O-N 2.78Å; T644-R647 VanDerWaalsContact O-O 3.08Å; T644-R647 PolarHBondContact OG1-N 3Å; T644-R647 VanDerWaalsContact OG1-N 3.13Å; T644-F649 HydrophobicContact CG2-CE2 4.05Å
645	P	73.3	Confident	84.4	Confident	109 Å²	109	30.9 Å²	30.9	71%	0.708	16%	0.162	S	C	*	.	S	Bend	trans	-55.3	-31.5	176.9	-25.8	35.8	0	0	0	113.3	K609	K609-P645 VanDerWaalsContact CD-O 3.27Å; K609-P645 WeakPolarHBondContact CD-O 3.29Å
646	E	72.6	Confident	84.1	Confident	98 Å²	98	36.4 Å²	36.4	46%	0.458	19%	0.187	S	C	.	.	S	Bend	trans	-100.6	-18.4	-174.9	-37.3	72.7	-164.2	0	0	113.8	K609 M610 T644	K609-E646 VanDerWaalsContact CB-O 3.26Å; K609-E646 WeakPolarHBondContact CB-O 3.2Å; K609-E646 PolarHBondContact N-O 2.81Å; M610-E646 HydrophobicContact CG-CB 4.49Å; T644-E646 WeakPolarHBondContact CB-OE2 3.31Å; T644-E646 PolarHBondContact O-N 2.94Å; T644-E646 VanDerWaalsContact O-N 3.13Å; T644-E646 PolarHBondContact OG1-N 3.39Å; T644-E646 PolarHBondContact OG1-OE2 3.03Å
647	R	77.9	Confident	83.8	Confident	11 Å²	11	37 Å²	37	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.6	-166.2	-67.5	-171.6	173.2	168.9	-4.2	115.6	V534 I607 D608 T644 F649	V534-R647 PolarHBondContact O-NH1 3.02Å; V534-R647 PolarHBondContact O-NH2 3.2Å; I607-R647 VanDerWaalsContact O-CA 3.23Å; I607-R647 WeakPolarHBondContact O-CA 3.36Å; I607-R647 WeakPolarHBondContact O-CB 3.49Å; I607-R647 WeakPolarHBondContact O-CG 3.41Å; D608-R647 IonicContact OD2-NE 3.93Å; D608-R647 IonicContact OD2-NH2 2.78Å; D608-R647 PolarHBondContact OD2-NH2 3.26Å; T644-R647 PolarHBondContact N-O 3.24Å; T644-R647 PolarHBondContact O-N 2.78Å; T644-R647 VanDerWaalsContact O-O 3.08Å; T644-R647 PolarHBondContact OG1-N 3Å; T644-R647 VanDerWaalsContact OG1-N 3.13Å; R647-F649 HydrophobicContact CB-CD2 4.34Å; R647-F649 HydrophobicContact CB-CE2 3.69Å; R647-F649 HydrophobicContact CB-CZ 4.17Å
648	V	79.8	Confident	83.7	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140	165.7	-174.3	0	0	0	0	108.9	I607 L620 M641 E643 V650	I607-V648 HydrophobicContact CB-CB 4.35Å; I607-V648 PolarHBondContact N-O 2.78Å; I607-V648 PolarHBondContact O-N 2.81Å; I607-V648 VanDerWaalsContact O-N 3.1Å; L620-V648 HydrophobicContact CD2-CB 3.94Å; L620-V648 HydrophobicContact CD2-CG1 4.1Å; L620-V648 HydrophobicContact CD2-CG2 3.79Å; M641-V648 HydrophobicContact CE-CG1 4.24Å; M641-V648 HydrophobicContact CG-CG1 3.75Å; M641-V648 HydrophobicContact SD-CG1 3.42Å; M641-V648 WeakPolarHBondContact SD-CG1 3.42Å; E643-V648 HydrophobicContact CG-CG2 4.13Å; V648-V650 HydrophobicContact CG1-CG2 4.4Å
649	F	84.6	Confident	83.7	Confident	8 Å²	8	33.8 Å²	33.8	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	107.9	179.6	-58.7	-103.1	0	0	0	109	I570 I576 I604 V606 M641 F642 T644 R647	I570-F649 HydrophobicContact CD1-CB 3.48Å; I570-F649 VanDerWaalsContact CD1-CB 3.48Å; I570-F649 HydrophobicContact CD1-CD1 3.75Å; I570-F649 HydrophobicContact CD1-CG 3.72Å; I570-F649 HydrophobicContact CG2-CD1 4.31Å; I570-F649 HydrophobicContact CG2-CD2 4.39Å; I570-F649 HydrophobicContact CG2-CE1 4.26Å; I570-F649 HydrophobicContact CG2-CE2 4.33Å; I570-F649 HydrophobicContact CG2-CG 4.39Å; I570-F649 HydrophobicContact CG2-CZ 4.27Å; I576-F649 HydrophobicContact CD1-CD1 3.84Å; I576-F649 HydrophobicContact CD1-CE1 3.69Å; I604-F649 HydrophobicContact CG2-CB 4.36Å; I604-F649 HydrophobicContact CG2-CD1 4.27Å; V606-F649 HydrophobicContact CB-CD1 4.44Å; V606-F649 HydrophobicContact CG1-CD1 4.12Å; V606-F649 HydrophobicContact CG1-CE1 3.85Å; V606-F649 HydrophobicContact CG1-CZ 4.44Å; V606-F649 HydrophobicContact CG2-CD1 3.79Å; V606-F649 HydrophobicContact CG2-CE1 4.04Å; M641-F649 WeakPolarHBondContact CA-O 3.44Å; M641-F649 WeakPolarHBondContact CG-O 3.42Å; F642-F649 HydrophobicContact CB-CB 4.3Å; F642-F649 HydrophobicContact CB-CD2 4.45Å; F642-F649 PolarHBondContact N-O 3.11Å; F642-F649 PolarHBondContact O-N 3.43Å; T644-F649 HydrophobicContact CG2-CE2 4.05Å; R647-F649 HydrophobicContact CB-CD2 4.34Å; R647-F649 HydrophobicContact CB-CE2 3.69Å; R647-F649 HydrophobicContact CB-CZ 4.17Å
650	V	83.9	Confident	83.5	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.5	175.7	-167.8	0	0	0	0	108.5	I604 K605 L620 L638 M641 V648 M652	I604-V650 WeakPolarHBondContact CA-O 3.45Å; K605-V650 HydrophobicContact CB-CB 4.15Å; K605-V650 PolarHBondContact N-O 2.93Å; K605-V650 PolarHBondContact O-N 3.4Å; L620-V650 HydrophobicContact CD1-CG2 4.48Å; L638-V650 HydrophobicContact CD1-CG1 3.37Å; M641-V650 HydrophobicContact CG-CG2 4.33Å; M641-V650 HydrophobicContact SD-CG2 4.09Å; V648-V650 HydrophobicContact CG1-CG2 4.4Å; V650-M652 HydrophobicContact CG1-CG 4.38Å
651	V	88.6	Confident	83.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.3	-179.1	-173.2	0	0	0	0	109.4	I570 Y574 V602 I604 E639 C640 F642	I570-V651 HydrophobicContact CD1-CG2 4.26Å; Y574-V651 HydrophobicContact CD1-CG1 4.24Å; Y574-V651 HydrophobicContact CD2-CG2 4.44Å; Y574-V651 HydrophobicContact CE1-CG1 3.72Å; Y574-V651 HydrophobicContact CE2-CG2 4.26Å; V602-V651 HydrophobicContact CB-CG1 4.03Å; V602-V651 HydrophobicContact CG1-CG1 4.06Å; V602-V651 HydrophobicContact CG2-CG1 4.33Å; I604-V651 HydrophobicContact CG1-CG1 4.35Å; I604-V651 HydrophobicContact CG1-CG2 4.34Å; E639-V651 HydrophobicContact CB-CB 4.48Å; E639-V651 HydrophobicContact CB-CG1 4.21Å; E639-V651 HydrophobicContact CG-CG1 4.45Å; E639-V651 PolarHBondContact N-O 2.99Å; C640-V651 PolarHBondContact N-O 3.41Å; C640-V651 PolarHBondContact O-N 3.23Å; F642-V651 HydrophobicContact CD2-CG2 4.26Å; F642-V651 HydrophobicContact CE2-CG2 4.17Å
652	M	89.5	Confident	83.2	Confident	21 Å²	21	36.3 Å²	36.3	10%	0.103	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	164.7	-177.9	-62.8	166.3	-68.1	0	0	110.1	V602 A603 K605 V636 N637 V650	V602-M652 WeakPolarHBondContact CA-O 3.4Å; V602-M652 WeakPolarHBondContact CB-O 3.21Å; A603-M652 PolarHBondContact N-O 3.05Å; A603-M652 PolarHBondContact O-N 3.07Å; K605-M652 HydrophobicContact CB-CE 3.88Å; V636-M652 HydrophobicContact CG2-CB 4.12Å; V636-M652 HydrophobicContact CG2-SD 4.45Å; N637-M652 WeakPolarHBondContact O-CA 3.39Å; V650-M652 HydrophobicContact CG1-CG 4.38Å
653	E	89.4	Confident	83	Confident	40 Å²	40	36.2 Å²	36.2	19%	0.187	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	149.3	165.6	60.2	175.5	136.5	0	0	112	V636 N637 L655 K717	V636-E653 HydrophobicContact CG2-CG 3.85Å; N637-E653 HydrophobicContact CB-CG 4.14Å; N637-E653 VanDerWaalsContact CB-OE1 3.28Å; N637-E653 WeakPolarHBondContact CB-OE1 3.21Å; N637-E653 PolarHBondContact N-OE1 3.09Å; N637-E653 PolarHBondContact O-N 2.75Å; E653-L655 HydrophobicContact CG-CD2 3.89Å; E653-K717 VanDerWaalsContact OE1-CD 3.25Å; E653-K717 WeakPolarHBondContact OE1-CD 3.25Å; E653-K717 IonicContact OE1-NZ 2.77Å; E653-K717 PolarHBondContact OE1-NZ 2.85Å; E653-K717 IonicContact OE2-NZ 2.66Å; E653-K717 PolarHBondContact OE2-NZ 3.35Å
654	K	91.1	Very high	82.5	Confident	58 Å²	58	36.8 Å²	36.8	25%	0.252	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-96.1	123.3	176.2	-166.4	-174.7	-176.7	-177.5	0	110.1	E580 L582 D601	E580-K654 VanDerWaalsContact OE1-CE 3.24Å; E580-K654 WeakPolarHBondContact OE1-CE 3.3Å; E580-K654 IonicContact OE1-NZ 2.74Å; E580-K654 PolarHBondContact OE1-NZ 2.83Å; E580-K654 IonicContact OE2-NZ 2.63Å; L582-K654 HydrophobicContact CD1-CG 4.14Å; D601-K654 HydrophobicContact CB-CB 4.25Å; D601-K654 HydrophobicContact CB-CD 3.67Å; D601-K654 IonicContact OD1-NZ 2.69Å; D601-K654 PolarHBondContact OD1-NZ 2.85Å
655	L	90.7	Very high	82.5	Confident	25 Å²	25	38.9 Å²	38.9	13%	0.131	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-96.2	166.8	175.1	-66.2	-50.5	0	0	0	110.4	V636 E653 L706 A708 K717	V636-L655 HydrophobicContact CG2-CD2 4.02Å; E653-L655 HydrophobicContact CG-CD2 3.89Å; L655-L706 HydrophobicContact CB-CB 3.9Å; L655-L706 HydrophobicContact CB-CD1 4.2Å; L655-L706 HydrophobicContact CD2-CB 4.41Å; L655-L706 HydrophobicContact CD2-CD1 3.74Å; L655-L706 HydrophobicContact CG-CB 3.75Å; L655-L706 HydrophobicContact CG-CD1 3.97Å; L655-A708 HydrophobicContact CD1-CB 4.2Å; L655-K717 HydrophobicContact CD1-CD 4.2Å
656	H	88.6	Confident	82.7	Confident	122 Å²	122	35 Å²	35	57%	0.565	19%	0.185	S	C	*	.	S	Bend	trans	-73.7	-45.5	-176.1	179.6	68.3	0	0	0	112.7	L707 A710	H656-L707 WeakPolarHBondContact CB-O 3.11Å; H656-L707 PolarHBondContact N-O 2.98Å; H656-A710 WeakPolarHBondContact NE2-CB 3.41Å
657	G	85.2	Confident	82.8	Confident	18 Å²	18	39.5 Å²	39.5	19%	0.186	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	-164.1	-177.3	0	0	0	0	0	110.9	L706 L707	G657-L706 WeakPolarHBondContact O-CA 3.36Å; G657-L707 PolarHBondContact O-N 2.85Å
658	D	85.6	Confident	82.7	Confident	29 Å²	29	45.1 Å²	45.1	16%	0.155	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	165.9	178.9	73.5	53.8	0	0	0	113.4	L660 E661 M662 V705 L706	D658-L660 VanDerWaalsContact C-N 3.27Å; D658-L660 PolarHBondContact O-N 3.17Å; D658-L660 VanDerWaalsContact OD1-CA 3.29Å; D658-L660 WeakPolarHBondContact OD1-CA 3.48Å; D658-L660 VanDerWaalsContact OD1-CB 3.23Å; D658-L660 WeakPolarHBondContact OD1-CB 3.33Å; D658-L660 PolarHBondContact OD1-N 2.86Å; D658-E661 PolarHBondContact O-N 3.41Å; D658-E661 PolarHBondContact OD1-N 2.79Å; D658-M662 PolarHBondContact O-N 3.49Å; D658-M662 VanDerWaalsContact O-N 3.1Å; D658-V705 WeakPolarHBondContact CA-O 3.47Å; D658-L706 HydrophobicContact CB-CD2 3.88Å
659	M	86.9	Confident	82.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-28.3	-178.3	-168.2	-168.1	-167.8	0	0	112.4	M662 I663 M679 I683 P702 V705 I765 S769	M659-M662 PolarHBondContact O-N 3.32Å; M659-I663 HydrophobicContact CG-CD1 4.26Å; M659-I663 WeakPolarHBondContact O-CD1 3.47Å; M659-I663 WeakPolarHBondContact O-CG1 3.18Å; M659-I663 PolarHBondContact O-N 3.08Å; M659-M679 HydrophobicContact CE-CB 4.25Å; M659-M679 HydrophobicContact CE-CE 3.7Å; M659-M679 HydrophobicContact CE-SD 4.23Å; M659-M679 HydrophobicContact CG-CE 4.04Å; M659-M679 HydrophobicContact CG-SD 4.17Å; M659-I683 HydrophobicContact SD-CD1 4.37Å; M659-P702 HydrophobicContact CB-CB 4.04Å; M659-P702 WeakPolarHBondContact CB-O 3.41Å; M659-P702 HydrophobicContact CG-CB 4.35Å; M659-P702 PolarHBondContact N-O 2.9Å; M659-P702 HydrophobicContact SD-CB 4.28Å; M659-V705 HydrophobicContact CB-CB 3.88Å; M659-V705 HydrophobicContact CB-CG1 3.91Å; M659-V705 HydrophobicContact CG-CG1 4.37Å; M659-V705 PolarHBondContact N-O 2.89Å; M659-V705 HydrophobicContact SD-CB 4.23Å; M659-V705 HydrophobicContact SD-CG1 3.95Å; M659-I765 HydrophobicContact CE-CG2 3.86Å; M659-I765 HydrophobicContact SD-CG2 3.76Å; M659-S769 VanDerWaalsContact CE-OG 3.27Å; M659-S769 WeakPolarHBondContact CE-OG 3.27Å
660	L	80.9	Confident	82.5	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-40.5	175.5	-170.6	62.9	0	0	0	111.2	L400 V404 D658 M662 I663 L664 P702 E703	L400-L660 HydrophobicContact CD1-CD1 4.29Å; L400-L660 HydrophobicContact CD2-CD1 3.97Å; L400-L660 HydrophobicContact CG-CD1 4.32Å; V404-L660 HydrophobicContact CG2-CD2 3.96Å; D658-L660 VanDerWaalsContact C-N 3.27Å; D658-L660 PolarHBondContact O-N 3.17Å; D658-L660 VanDerWaalsContact OD1-CA 3.29Å; D658-L660 WeakPolarHBondContact OD1-CA 3.48Å; D658-L660 VanDerWaalsContact OD1-CB 3.23Å; D658-L660 WeakPolarHBondContact OD1-CB 3.33Å; D658-L660 PolarHBondContact OD1-N 2.86Å; L660-M662 VanDerWaalsContact C-N 3.32Å; L660-I663 PolarHBondContact O-N 2.93Å; L660-L664 HydrophobicContact CD1-CD1 4.42Å; L660-L664 HydrophobicContact CD2-CD1 4.4Å; L660-L664 HydrophobicContact CG-CD1 3.91Å; L660-L664 HydrophobicContact CG-CG 4.43Å; L660-L664 VanDerWaalsContact O-CB 3.31Å; L660-L664 WeakPolarHBondContact O-CB 3.33Å; L660-L664 WeakPolarHBondContact O-CG 3.43Å; L660-L664 PolarHBondContact O-N 2.74Å; L660-P702 HydrophobicContact CB-CB 4Å; L660-E703 HydrophobicContact CB-CG 4.13Å; L660-E703 HydrophobicContact CD2-CG 3.63Å
661	E	75.8	Confident	82.9	Confident	78 Å²	78	48 Å²	48	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-62	-39.9	172.4	-176.4	165.6	-147.7	0	0	111.4	D658 L664 S665	D658-E661 PolarHBondContact O-N 3.41Å; D658-E661 PolarHBondContact OD1-N 2.79Å; E661-L664 PolarHBondContact O-N 3.5Å; E661-S665 WeakPolarHBondContact O-CB 3.3Å; E661-S665 PolarHBondContact O-N 3.27Å; E661-S665 PolarHBondContact O-OG 2.95Å
662	M	84.3	Confident	83.3	Confident	33 Å²	33	51.6 Å²	51.6	16%	0.163	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-43	174.2	-161.5	-166.5	-164.4	0	0	112.5	D658 M659 L660 S665 S666 L671 I675 M679 L707	D658-M662 PolarHBondContact O-N 3.49Å; D658-M662 VanDerWaalsContact O-N 3.1Å; M659-M662 PolarHBondContact O-N 3.32Å; L660-M662 VanDerWaalsContact C-N 3.32Å; M662-S665 PolarHBondContact O-OG 3.39Å; M662-S666 PolarHBondContact O-N 2.87Å; M662-L671 HydrophobicContact CG-CD2 4.15Å; M662-L671 HydrophobicContact SD-CD1 4.41Å; M662-L671 HydrophobicContact SD-CD2 4.31Å; M662-I675 HydrophobicContact CE-CG2 3.99Å; M662-I675 HydrophobicContact SD-CG2 4.44Å; M662-M679 HydrophobicContact SD-CE 3.51Å; M662-M679 VanDerWaalsContact SD-CE 3.51Å; M662-M679 HydrophobicContact SD-SD 3.99Å; M662-L707 HydrophobicContact CB-CD1 3.73Å; M662-L707 HydrophobicContact CG-CD1 4.05Å; M662-L707 HydrophobicContact SD-CD1 3.72Å
663	I	77.9	Confident	83.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-48.3	175.5	-63.7	158.4	0	0	0	110.2	L400 M659 L660 S666 S669 L671 P702 V768	L400-I663 HydrophobicContact CD2-CB 4.28Å; L400-I663 HydrophobicContact CD2-CG2 3.44Å; L400-I663 VanDerWaalsContact CD2-CG2 3.44Å; M659-I663 HydrophobicContact CG-CD1 4.26Å; M659-I663 WeakPolarHBondContact O-CD1 3.47Å; M659-I663 WeakPolarHBondContact O-CG1 3.18Å; M659-I663 PolarHBondContact O-N 3.08Å; L660-I663 PolarHBondContact O-N 2.93Å; I663-S666 PolarHBondContact O-N 2.87Å; I663-S666 PolarHBondContact O-OG 2.88Å; I663-S669 WeakPolarHBondContact CG2-O 3.34Å; I663-S669 CarbonylContact O-C 3.56Å; I663-S669 WeakPolarHBondContact O-CA 3.43Å; I663-L671 HydrophobicContact CG1-CD1 3.59Å; I663-L671 HydrophobicContact CG1-CG 3.8Å; I663-P702 HydrophobicContact CD1-CB 4.28Å; I663-P702 HydrophobicContact CD1-CG 4.44Å; I663-V768 HydrophobicContact CD1-CG1 4.49Å
664	L	70.4	Confident	84	Confident	56 Å²	56	56 Å²	56	29%	0.293	28%	0.283	S	S	.	.	H	α-helix	trans	-69.3	-30.2	-177	-78.6	169.9	0	0	0	114.4	L400 V404 L660 E661	L400-L664 HydrophobicContact CB-CD2 3.99Å; L400-L664 HydrophobicContact CD2-CD2 3.7Å; L400-L664 HydrophobicContact CD2-CG 3.88Å; L400-L664 HydrophobicContact CG-CD2 3.77Å; L400-L664 HydrophobicContact CG-CG 4.32Å; V404-L664 HydrophobicContact CB-CD1 4.49Å; L660-L664 HydrophobicContact CD1-CD1 4.42Å; L660-L664 HydrophobicContact CD2-CD1 4.4Å; L660-L664 HydrophobicContact CG-CD1 3.91Å; L660-L664 HydrophobicContact CG-CG 4.43Å; L660-L664 VanDerWaalsContact O-CB 3.31Å; L660-L664 WeakPolarHBondContact O-CB 3.33Å; L660-L664 WeakPolarHBondContact O-CG 3.43Å; L660-L664 PolarHBondContact O-N 2.74Å; E661-L664 PolarHBondContact O-N 3.5Å
665	S	74.7	Confident	84.2	Confident	91 Å²	91	54.5 Å²	54.5	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-82.4	-17	178.8	57.5	0	0	0	0	113.4	E661 M662	E661-S665 WeakPolarHBondContact O-CB 3.3Å; E661-S665 PolarHBondContact O-N 3.27Å; E661-S665 PolarHBondContact O-OG 2.95Å; M662-S665 PolarHBondContact O-OG 3.39Å
666	S	78.4	Confident	84.6	Confident	28 Å²	28	53.3 Å²	53.3	20%	0.196	27%	0.272	C	S	.	.	S	Bend	trans	-62.9	143.6	172.2	76.2	0	0	0	0	112.1	M662 I663 K668 S669 R670	M662-S666 PolarHBondContact O-N 2.87Å; I663-S666 PolarHBondContact O-N 2.87Å; I663-S666 PolarHBondContact O-OG 2.88Å; S666-K668 PolarHBondContact O-N 3.28Å; S666-K668 VanDerWaalsContact O-N 3.12Å; S666-S669 PolarHBondContact O-N 3.09Å; S666-S669 WeakPolarHBondContact OG-CA 3.43Å; S666-S669 PolarHBondContact OG-N 3.13Å; S666-R670 PolarHBondContact OG-N 2.72Å; S666-R670 PolarHBondContact OG-O 3.01Å
667	E	75.3	Confident	85	Confident	192 Å²	192	48.5 Å²	48.5	90%	0.897	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.8	-176.9	-178	-176.5	-144.8	0	0	113.3
668	K	75.1	Confident	85.6	Confident	129 Å²	129	47.6 Å²	47.6	56%	0.561	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	4.1	-178.8	-62	-175.4	179.2	-177.8	0	113.6	S666 R670	S666-K668 PolarHBondContact O-N 3.28Å; S666-K668 VanDerWaalsContact O-N 3.12Å; K668-R670 HydrophobicContact CB-CG 3.82Å; K668-R670 PolarHBondContact O-N 2.67Å; K668-R670 VanDerWaalsContact O-N 3.17Å
669	S	75.3	Confident	86.2	Confident	26 Å²	26	46.2 Å²	46.2	18%	0.182	23%	0.233	C	C	.	.	S	Bend	trans	52.4	27.6	-169.8	-55.5	0	0	0	0	114.1	I663 S666 G772	I663-S669 WeakPolarHBondContact CG2-O 3.34Å; I663-S669 CarbonylContact O-C 3.56Å; I663-S669 WeakPolarHBondContact O-CA 3.43Å; S666-S669 PolarHBondContact O-N 3.09Å; S666-S669 WeakPolarHBondContact OG-CA 3.43Å; S666-S669 PolarHBondContact OG-N 3.13Å; S669-G772 WeakPolarHBondContact O-CA 3.16Å
670	R	84.9	Confident	86.8	Confident	44 Å²	44	46.2 Å²	46.2	17%	0.166	23%	0.233	C	C	.	.	S	Bend	trans	-155.5	146.3	-179.5	71.8	-170.8	179.4	94.9	-7.5	109.7	S666 K668 S769 L770 E800	S666-R670 PolarHBondContact OG-N 2.72Å; S666-R670 PolarHBondContact OG-O 3.01Å; K668-R670 HydrophobicContact CB-CG 3.82Å; K668-R670 PolarHBondContact O-N 2.67Å; K668-R670 VanDerWaalsContact O-N 3.17Å; R670-S769 CarbonylContact C-O 3.49Å; R670-S769 WeakPolarHBondContact CA-O 3.37Å; R670-L770 WeakPolarHBondContact CD-O 3.49Å; R670-E800 IonicContact CZ-OE2 2.67Å; R670-E800 IonicContact NH1-OE2 3.84Å; R670-E800 IonicContact NH2-OE2 3.98Å; R670-E800 PolarHBondContact NH2-OE2 2.67Å
671	L	93.1	Very high	87.6	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.037	23%	0.233	C	C	.	.			trans	-89.3	150.7	-177	-63	175.2	0	0	0	112.1	M662 I663 I675 T676 M679 S769	M662-L671 HydrophobicContact CG-CD2 4.15Å; M662-L671 HydrophobicContact SD-CD1 4.41Å; M662-L671 HydrophobicContact SD-CD2 4.31Å; I663-L671 HydrophobicContact CG1-CD1 3.59Å; I663-L671 HydrophobicContact CG1-CG 3.8Å; L671-I675 HydrophobicContact CD1-CG2 4.49Å; L671-T676 WeakPolarHBondContact CB-OG1 3.44Å; L671-M679 HydrophobicContact CD1-CE 3.41Å; L671-M679 VanDerWaalsContact CD1-CE 3.41Å; L671-S769 PolarHBondContact N-O 3.41Å
672	P	95.5	Very high	88.7	Confident	75 Å²	75	42.6 Å²	42.6	49%	0.487	22%	0.216	S	C	.	.			trans	-62.6	153.1	166.9	-20	32.6	0	0	0	112.2	R674 I675 T676	P672-R674 PolarHBondContact O-N 3.23Å; P672-I675 HydrophobicContact CG-CD1 4.25Å; P672-I675 PolarHBondContact O-N 3.5Å; P672-T676 PolarHBondContact O-N 3.41Å; P672-T676 PolarHBondContact O-OG1 3.44Å
673	E	96.8	Very high	89.3	Confident	43 Å²	43	41 Å²	41	20%	0.201	21%	0.209	C	C	.	.	H	α-helix	trans	-56.5	-46.9	176.1	-77.2	-173.6	-121.7	0	0	112.5	I675 T676 K677 L770 I801 S802 W831	E673-I675 PolarHBondContact O-N 3.22Å; E673-T676 CarbonylContact O-C 3.59Å; E673-T676 WeakPolarHBondContact O-CA 3.29Å; E673-T676 WeakPolarHBondContact O-CB 3.47Å; E673-T676 PolarHBondContact O-N 3.33Å; E673-K677 WeakPolarHBondContact O-CG 3.47Å; E673-K677 PolarHBondContact O-N 2.89Å; E673-L770 HydrophobicContact CB-CD2 4.38Å; E673-L770 HydrophobicContact CG-CD1 4.39Å; E673-L770 HydrophobicContact CG-CD2 3.68Å; E673-I801 WeakPolarHBondContact OE1-CA 3.43Å; E673-S802 PolarHBondContact OE1-N 3.26Å; E673-S802 WeakPolarHBondContact OE2-CB 3.23Å; E673-S802 PolarHBondContact OE2-OG 3.33Å; E673-W831 HydrophobicContact CB-CZ2 4.47Å; E673-W831 HydrophobicContact CG-CZ2 4.33Å; E673-W831 PolarHBondContact OE2-NE1 3.42Å
674	R	96.6	Very high	90.3	Very high	111 Å²	111	41 Å²	41	42%	0.419	21%	0.209	S	C	.	.	H	α-helix	trans	-52	-48.3	179.8	-177	177.1	171.8	-171.1	-4.4	113.4	P672 F678 F713 D840	P672-R674 PolarHBondContact O-N 3.23Å; R674-F678 WeakPolarHBondContact O-CB 3.36Å; R674-F678 PolarHBondContact O-N 3Å; R674-F713 HydrophobicContact CG-CE1 4.19Å; R674-F713 HydrophobicContact CG-CZ 4.12Å; R674-D840 VanDerWaalsContact CG-OD2 3.28Å; R674-D840 WeakPolarHBondContact CG-OD2 3.34Å; R674-D840 IonicContact CZ-OD1 3.2Å; R674-D840 IonicContact CZ-OD2 2.68Å; R674-D840 IonicContact NE-OD1 3.94Å; R674-D840 PolarHBondContact NE-OD1 3.25Å; R674-D840 IonicContact NE-OD2 2.84Å; R674-D840 PolarHBondContact NE-OD2 3.49Å; R674-D840 IonicContact NH2-OD1 2.63Å; R674-D840 PolarHBondContact NH2-OD1 2.92Å; R674-D840 IonicContact NH2-OD2 3.99Å
675	I	96.9	Very high	91.6	Very high	26 Å²	26	38.5 Å²	38.5	13%	0.133	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-37.5	177.5	-67.9	177.3	0	0	0	110.8	M662 L671 P672 E673 M679 P712 F713	M662-I675 HydrophobicContact CE-CG2 3.99Å; M662-I675 HydrophobicContact SD-CG2 4.44Å; L671-I675 HydrophobicContact CD1-CG2 4.49Å; P672-I675 HydrophobicContact CG-CD1 4.25Å; P672-I675 PolarHBondContact O-N 3.5Å; E673-I675 PolarHBondContact O-N 3.22Å; I675-M679 HydrophobicContact CG2-CE 3.87Å; I675-M679 PolarHBondContact O-N 2.9Å; I675-M679 VanDerWaalsContact O-N 3.14Å; I675-P712 HydrophobicContact CD1-CB 4.02Å; I675-F713 HydrophobicContact CG1-CE1 4.27Å; I675-F713 HydrophobicContact CG1-CZ 4.19Å
676	T	97.6	Very high	92.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.4	-45.3	179	-50.1	0	0	0	0	111.7	L671 P672 E673 F678 M679 V680 L770 W831	L671-T676 WeakPolarHBondContact CB-OG1 3.44Å; P672-T676 PolarHBondContact O-N 3.41Å; P672-T676 PolarHBondContact O-OG1 3.44Å; E673-T676 CarbonylContact O-C 3.59Å; E673-T676 WeakPolarHBondContact O-CA 3.29Å; E673-T676 WeakPolarHBondContact O-CB 3.47Å; E673-T676 PolarHBondContact O-N 3.33Å; T676-F678 PolarHBondContact O-N 3.3Å; T676-M679 PolarHBondContact O-N 2.99Å; T676-V680 HydrophobicContact CG2-CG2 4.08Å; T676-V680 VanDerWaalsContact O-CB 3.27Å; T676-V680 WeakPolarHBondContact O-CB 3.38Å; T676-V680 WeakPolarHBondContact O-CG2 3.43Å; T676-V680 PolarHBondContact O-N 3.45Å; T676-L770 HydrophobicContact CG2-CD2 3.92Å; T676-L770 HydrophobicContact CG2-CG 4.2Å; T676-L770 WeakPolarHBondContact OG1-CD2 3.33Å; T676-W831 HydrophobicContact CG2-CH2 4.04Å
677	K	98.1	Very high	93.6	Very high	20 Å²	20	32.9 Å²	32.9	9%	0.087	16%	0.156	C	C	.	.	H	α-helix	trans	-53.7	-53.4	173.7	-69.7	-178.1	-178.2	-147.9	0	110.6	E673 M679 V680 T681 W831 L832 D834 T837	E673-K677 WeakPolarHBondContact O-CG 3.47Å; E673-K677 PolarHBondContact O-N 2.89Å; K677-M679 PolarHBondContact O-N 3.48Å; K677-V680 PolarHBondContact O-N 2.95Å; K677-T681 PolarHBondContact O-N 2.97Å; K677-T681 PolarHBondContact O-OG1 3.49Å; K677-T681 VanDerWaalsContact O-OG1 3.08Å; K677-W831 WeakPolarHBondContact CD-O 3.36Å; K677-W831 WeakPolarHBondContact CE-O 3.21Å; K677-W831 HydrophobicContact CG-CD2 3.97Å; K677-W831 HydrophobicContact CG-CE3 4.17Å; K677-W831 HydrophobicContact CG-CH2 3.95Å; K677-W831 HydrophobicContact CG-CZ2 3.68Å; K677-W831 HydrophobicContact CG-CZ3 4.18Å; K677-W831 PolarHBondContact NZ-O 3.47Å; K677-L832 HydrophobicContact CB-CD2 3.87Å; K677-L832 HydrophobicContact CG-CD2 4.03Å; K677-D834 WeakPolarHBondContact CD-OD2 3.34Å; K677-D834 IonicContact NZ-OD2 3.74Å; K677-D834 PolarHBondContact NZ-OD2 2.94Å; K677-T837 HydrophobicContact CB-CG2 4.18Å; K677-T837 VanDerWaalsContact CD-OG1 3.23Å; K677-T837 WeakPolarHBondContact CD-OG1 3.32Å
678	F	98	Very high	94.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-54.9	-47.6	179.7	174	-93.6	0	0	0	113	R674 T676 Q682 F713 P714 D840 L841 F844	R674-F678 WeakPolarHBondContact O-CB 3.36Å; R674-F678 PolarHBondContact O-N 3Å; T676-F678 PolarHBondContact O-N 3.3Å; F678-Q682 PolarHBondContact O-N 3.38Å; F678-F713 HydrophobicContact CB-CD1 4.12Å; F678-F713 HydrophobicContact CB-CE1 4.31Å; F678-F713 HydrophobicContact CD1-CB 4.32Å; F678-F713 AromaticContact CD1-CD1 3.8Å; F678-F713 HydrophobicContact CD1-CD1 3.8Å; F678-F713 AromaticContact CD2-CD1 3.83Å; F678-F713 HydrophobicContact CD2-CD1 3.83Å; F678-F713 VanDerWaalsContact CE1-C 3.49Å; F678-F713 VanDerWaalsContact CE1-CA 3.49Å; F678-F713 HydrophobicContact CE1-CB 3.8Å; F678-F713 HydrophobicContact CE1-CD1 4.12Å; F678-F713 HydrophobicContact CE1-CG 4.48Å; F678-F713 HydrophobicContact CE2-CB 4.25Å; F678-F713 HydrophobicContact CE2-CD1 4.14Å; F678-F713 AromaticContact CG-CD1 3.65Å; F678-F713 HydrophobicContact CG-CD1 3.65Å; F678-F713 HydrophobicContact CG-CE1 4.32Å; F678-F713 HydrophobicContact CZ-CB 3.76Å; F678-F713 HydrophobicContact CZ-CD1 4.29Å; F678-P714 WeakPolarHBondContact CE1-O 3.45Å; F678-D840 HydrophobicContact CD2-CB 3.92Å; F678-D840 HydrophobicContact CE2-CB 4.43Å; F678-D840 WeakPolarHBondContact CE2-O 3.43Å; F678-L841 HydrophobicContact CD2-CD2 3.54Å; F678-L841 HydrophobicContact CD2-CG 4.05Å; F678-L841 HydrophobicContact CE2-CD2 3.74Å; F678-L841 HydrophobicContact CE2-CG 4.44Å; F678-L841 HydrophobicContact CG-CD2 4.39Å; F678-F844 HydrophobicContact CE2-CB 3.75Å; F678-F844 HydrophobicContact CE2-CG 4.12Å; F678-F844 HydrophobicContact CZ-CB 3.86Å; F678-F844 HydrophobicContact CZ-CD1 4.4Å; F678-F844 HydrophobicContact CZ-CD2 4.01Å; F678-F844 AromaticContact CZ-CG 3.8Å; F678-F844 HydrophobicContact CZ-CG 3.8Å
679	M	97.9	Very high	95.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70	-39.9	176.6	-71.9	-160.9	-79.4	0	0	112.9	M659 M662 L671 I675 T676 K677 T681 Q682 I683 L707 V716	M659-M679 HydrophobicContact CE-CB 4.25Å; M659-M679 HydrophobicContact CE-CE 3.7Å; M659-M679 HydrophobicContact CE-SD 4.23Å; M659-M679 HydrophobicContact CG-CE 4.04Å; M659-M679 HydrophobicContact CG-SD 4.17Å; M662-M679 HydrophobicContact SD-CE 3.51Å; M662-M679 VanDerWaalsContact SD-CE 3.51Å; M662-M679 HydrophobicContact SD-SD 3.99Å; L671-M679 HydrophobicContact CD1-CE 3.41Å; L671-M679 VanDerWaalsContact CD1-CE 3.41Å; I675-M679 HydrophobicContact CG2-CE 3.87Å; I675-M679 PolarHBondContact O-N 2.9Å; I675-M679 VanDerWaalsContact O-N 3.14Å; T676-M679 PolarHBondContact O-N 2.99Å; K677-M679 PolarHBondContact O-N 3.48Å; M679-T681 PolarHBondContact O-N 3.18Å; M679-Q682 PolarHBondContact O-N 2.88Å; M679-I683 WeakPolarHBondContact O-CG1 3.44Å; M679-I683 PolarHBondContact O-N 3.35Å; M679-L707 HydrophobicContact SD-CD2 3.69Å; M679-V716 HydrophobicContact CB-CG2 3.98Å; M679-V716 HydrophobicContact CG-CG2 3.66Å; M679-V716 HydrophobicContact SD-CG2 4.05Å
680	V	98.3	Very high	96.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-37.9	-179.7	168.9	0	0	0	0	111.5	T676 K677 Q682 I683 L684 V762 I766 W831 L832	T676-V680 HydrophobicContact CG2-CG2 4.08Å; T676-V680 VanDerWaalsContact O-CB 3.27Å; T676-V680 WeakPolarHBondContact O-CB 3.38Å; T676-V680 WeakPolarHBondContact O-CG2 3.43Å; T676-V680 PolarHBondContact O-N 3.45Å; K677-V680 PolarHBondContact O-N 2.95Å; V680-Q682 PolarHBondContact O-N 2.88Å; V680-I683 PolarHBondContact O-N 2.86Å; V680-L684 HydrophobicContact CG1-CD1 3.96Å; V680-L684 HydrophobicContact CG1-CG 4.37Å; V680-L684 WeakPolarHBondContact O-CB 3.13Å; V680-L684 VanDerWaalsContact O-CG 3.3Å; V680-L684 WeakPolarHBondContact O-CG 3.15Å; V680-L684 PolarHBondContact O-N 2.82Å; V680-V762 HydrophobicContact CG1-CG1 4.27Å; V680-I766 HydrophobicContact CG1-CD1 4.09Å; V680-I766 HydrophobicContact CG1-CG1 4.14Å; V680-I766 HydrophobicContact CG2-CG1 3.71Å; V680-W831 HydrophobicContact CG1-CZ3 4.41Å; V680-L832 HydrophobicContact CG1-CD1 4.26Å
681	T	98.4	Very high	96.6	Very high	13 Å²	13	21.9 Å²	21.9	8%	0.08	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-43.2	173	-57	0	0	0	0	111.5	K677 M679 L684 V685 L827 L841 I853	K677-T681 PolarHBondContact O-N 2.97Å; K677-T681 PolarHBondContact O-OG1 3.49Å; K677-T681 VanDerWaalsContact O-OG1 3.08Å; M679-T681 PolarHBondContact O-N 3.18Å; T681-L684 PolarHBondContact O-N 3.13Å; T681-V685 WeakPolarHBondContact O-CG2 3.42Å; T681-V685 PolarHBondContact O-N 3.1Å; T681-L827 HydrophobicContact CG2-CD2 3.96Å; T681-L841 HydrophobicContact CG2-CD1 3.82Å; T681-I853 HydrophobicContact CG2-CG2 3.71Å
682	Q	98.3	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-43.2	174.3	-71.2	-173.3	68.8	0	0	112.6	F678 M679 V680 L684 V685 A686 P714 V716 Y852 I853	F678-Q682 PolarHBondContact O-N 3.38Å; M679-Q682 PolarHBondContact O-N 2.88Å; V680-Q682 PolarHBondContact O-N 2.88Å; Q682-L684 VanDerWaalsContact C-N 3.35Å; Q682-L684 PolarHBondContact O-N 2.88Å; Q682-V685 PolarHBondContact O-N 3.28Å; Q682-A686 PolarHBondContact O-N 3.12Å; Q682-P714 PolarHBondContact NE2-O 3.47Å; Q682-V716 HydrophobicContact CB-CB 3.89Å; Q682-V716 HydrophobicContact CB-CG2 4.29Å; Q682-Y852 PolarHBondContact OE1-OH 3.46Å; Q682-I853 HydrophobicContact CG-CD1 3.7Å; Q682-I853 HydrophobicContact CG-CG1 4.43Å
683	I	98.4	Very high	96.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-46.4	175.1	-66.9	166.2	0	0	0	110.4	M659 M679 V680 A686 L687 L700 V705 V716 L718 V762 I765	M659-I683 HydrophobicContact SD-CD1 4.37Å; M679-I683 WeakPolarHBondContact O-CG1 3.44Å; M679-I683 PolarHBondContact O-N 3.35Å; V680-I683 PolarHBondContact O-N 2.86Å; I683-A686 PolarHBondContact O-N 2.82Å; I683-L687 HydrophobicContact CG2-CD1 4.03Å; I683-L687 HydrophobicContact CG2-CG 4.41Å; I683-L687 WeakPolarHBondContact O-CB 3.41Å; I683-L687 WeakPolarHBondContact O-CG 3.45Å; I683-L687 PolarHBondContact O-N 3.41Å; I683-L700 HydrophobicContact CG2-CD2 4.23Å; I683-V705 HydrophobicContact CD1-CG1 3.92Å; I683-V705 HydrophobicContact CD1-CG2 4.05Å; I683-V705 HydrophobicContact CG1-CG1 4.16Å; I683-V705 HydrophobicContact CG1-CG2 4.43Å; I683-V716 HydrophobicContact CG1-CG1 3.94Å; I683-L718 HydrophobicContact CG1-CD2 4.34Å; I683-L718 HydrophobicContact CG2-CD2 4.42Å; I683-V762 HydrophobicContact CG2-CG2 4.08Å; I683-I765 HydrophobicContact CD1-CG2 4.36Å
684	L	98.4	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-41.8	179	-74.1	170	0	0	0	111.9	V680 T681 Q682 L687 R688 M759 V762 V823 L827 L832	V680-L684 HydrophobicContact CG1-CD1 3.96Å; V680-L684 HydrophobicContact CG1-CG 4.37Å; V680-L684 WeakPolarHBondContact O-CB 3.13Å; V680-L684 VanDerWaalsContact O-CG 3.3Å; V680-L684 WeakPolarHBondContact O-CG 3.15Å; V680-L684 PolarHBondContact O-N 2.82Å; T681-L684 PolarHBondContact O-N 3.13Å; Q682-L684 VanDerWaalsContact C-N 3.35Å; Q682-L684 PolarHBondContact O-N 2.88Å; L684-L687 PolarHBondContact O-N 3.4Å; L684-R688 PolarHBondContact O-N 2.88Å; L684-M759 HydrophobicContact CD2-CE 3.68Å; L684-M759 HydrophobicContact CD2-SD 4.34Å; L684-V762 HydrophobicContact CD2-CG1 4.36Å; L684-V823 HydrophobicContact CB-CG1 4.28Å; L684-V823 HydrophobicContact CD2-CG1 4.38Å; L684-V823 WeakPolarHBondContact O-CG1 3.4Å; L684-L827 HydrophobicContact CB-CD2 3.6Å; L684-L827 HydrophobicContact CB-CG 3.92Å; L684-L827 HydrophobicContact CD1-CD2 4.02Å; L684-L827 HydrophobicContact CD1-CG 4.26Å; L684-L827 HydrophobicContact CG-CD2 4.47Å; L684-L832 HydrophobicContact CD1-CD1 3.52Å
685	V	97.8	Very high	95.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-39.5	175.9	169	0	0	0	0	112	T681 Q682 R688 N689 L827 Y852 I853	T681-V685 WeakPolarHBondContact O-CG2 3.42Å; T681-V685 PolarHBondContact O-N 3.1Å; Q682-V685 PolarHBondContact O-N 3.28Å; V685-R688 VanDerWaalsContact O-CB 3.29Å; V685-R688 WeakPolarHBondContact O-CB 3.36Å; V685-R688 PolarHBondContact O-N 3.37Å; V685-N689 PolarHBondContact O-N 2.88Å; V685-L827 HydrophobicContact CG2-CD1 4.35Å; V685-L827 HydrophobicContact CG2-CD2 4.16Å; V685-Y852 HydrophobicContact CG1-CD2 4.17Å; V685-Y852 WeakPolarHBondContact CG1-O 3.36Å; V685-I853 HydrophobicContact CG2-CG2 4.1Å
686	A	97.2	Very high	95	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-63.3	-42.9	172	0	0	0	0	0	112.3	G634 I635 Q682 I683 R688 N689 L690 L718	G634-A686 WeakPolarHBondContact O-CB 3.45Å; I635-A686 HydrophobicContact CG1-CB 4.45Å; Q682-A686 PolarHBondContact O-N 3.12Å; I683-A686 PolarHBondContact O-N 2.82Å; A686-R688 VanDerWaalsContact C-N 3.31Å; A686-R688 PolarHBondContact O-N 3.35Å; A686-N689 PolarHBondContact O-N 3.49Å; A686-L690 PolarHBondContact O-N 2.76Å; A686-L718 HydrophobicContact CB-CD1 3.72Å; A686-L718 HydrophobicContact CB-CG 4.01Å
687	L	96.8	Very high	94.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-35.8	173	-71.4	173.6	0	0	0	112.1	I683 L684 N689 L690 H691 L700 L718 D758 V762 V823	I683-L687 HydrophobicContact CG2-CD1 4.03Å; I683-L687 HydrophobicContact CG2-CG 4.41Å; I683-L687 WeakPolarHBondContact O-CB 3.41Å; I683-L687 WeakPolarHBondContact O-CG 3.45Å; I683-L687 PolarHBondContact O-N 3.41Å; L684-L687 PolarHBondContact O-N 3.4Å; L687-N689 VanDerWaalsContact C-N 3.33Å; L687-N689 PolarHBondContact O-N 3.13Å; L687-L690 HydrophobicContact CD2-CD1 4.36Å; L687-L690 PolarHBondContact O-N 3.36Å; L687-H691 WeakPolarHBondContact O-CB 3.36Å; L687-H691 PolarHBondContact O-CD2 3.25Å; L687-H691 VanDerWaalsContact O-CG 3.23Å; L687-H691 PolarHBondContact O-N 2.9Å; L687-L700 HydrophobicContact CD1-CD2 3.99Å; L687-L700 HydrophobicContact CD2-CD2 4.4Å; L687-L718 HydrophobicContact CD2-CD1 4.3Å; L687-L718 HydrophobicContact CG-CD1 4.43Å; L687-D758 HydrophobicContact CD1-CB 4.34Å; L687-D758 HydrophobicContact CD2-CB 3.84Å; L687-V762 HydrophobicContact CD1-CG2 3.52Å; L687-V823 HydrophobicContact CB-CG2 3.97Å
688	R	95.6	Very high	93.9	Very high	106 Å²	106	23.6 Å²	23.6	40%	0.4	11%	0.106	S	C	.	.	H	α-helix	trans	-56.3	-46.8	175	-163.6	169.5	58.6	-178.9	-3.3	111.1	L684 V685 A686 F692 V823	L684-R688 PolarHBondContact O-N 2.88Å; V685-R688 VanDerWaalsContact O-CB 3.29Å; V685-R688 WeakPolarHBondContact O-CB 3.36Å; V685-R688 PolarHBondContact O-N 3.37Å; A686-R688 VanDerWaalsContact C-N 3.31Å; A686-R688 PolarHBondContact O-N 3.35Å; R688-F692 VanDerWaalsContact O-CB 3.27Å; R688-F692 WeakPolarHBondContact O-CB 3.4Å; R688-F692 PolarHBondContact O-N 3.16Å; R688-V823 HydrophobicContact CB-CG1 3.8Å; R688-V823 HydrophobicContact CG-CG1 4.29Å
689	N	94.1	Very high	93.1	Very high	40 Å²	40	23.9 Å²	23.9	21%	0.214	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-47.4	177.7	-168.7	-76.7	0	0	0	112	H632 V685 A686 L687 K693	H632-N689 PolarHBondContact CD2-ND2 3.33Å; V685-N689 PolarHBondContact O-N 2.88Å; A686-N689 PolarHBondContact O-N 3.49Å; L687-N689 VanDerWaalsContact C-N 3.33Å; L687-N689 PolarHBondContact O-N 3.13Å; N689-K693 WeakPolarHBondContact O-CG 3.18Å; N689-K693 PolarHBondContact O-N 3.16Å; N689-K693 VanDerWaalsContact O-N 3.11Å; N689-K693 WeakPolarHBondContact OD1-CD 3.46Å; N689-K693 VanDerWaalsContact OD1-CE 3.26Å; N689-K693 WeakPolarHBondContact OD1-CE 3.48Å
690	L	93.4	Very high	92.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-50.5	176.4	-66.5	-178	0	0	0	111.8	L630 I635 A686 L687 F692 K693 N694 I695 L718 F721	L630-L690 HydrophobicContact CD1-CD2 3.55Å; L630-L690 HydrophobicContact CD2-CD2 3.51Å; L630-L690 HydrophobicContact CG-CD2 4.19Å; I635-L690 HydrophobicContact CD1-CD2 3.66Å; I635-L690 HydrophobicContact CD1-CG 4.07Å; A686-L690 PolarHBondContact O-N 2.76Å; L687-L690 HydrophobicContact CD2-CD1 4.36Å; L687-L690 PolarHBondContact O-N 3.36Å; L690-F692 PolarHBondContact O-N 3.37Å; L690-K693 CarbonylContact O-C 3.57Å; L690-K693 WeakPolarHBondContact O-CA 3.37Å; L690-K693 PolarHBondContact O-N 3.06Å; L690-K693 VanDerWaalsContact O-N 3.12Å; L690-N694 PolarHBondContact O-N 2.69Å; L690-I695 CarbonylContact C-O 3.56Å; L690-I695 VanDerWaalsContact C-O 3.29Å; L690-I695 HydrophobicContact CB-CB 4.32Å; L690-I695 HydrophobicContact CB-CG2 4.49Å; L690-I695 HydrophobicContact CD2-CB 4.31Å; L690-I695 HydrophobicContact CD2-CG2 4.02Å; L690-I695 WeakPolarHBondContact O-CA 3.49Å; L690-I695 PolarHBondContact O-N 3.33Å; L690-L718 HydrophobicContact CD1-CD1 4.28Å; L690-F721 HydrophobicContact CD1-CE1 3.89Å; L690-F721 HydrophobicContact CD1-CZ 4.25Å; L690-F721 HydrophobicContact CD2-CE1 3.8Å; L690-F721 HydrophobicContact CD2-CZ 4.33Å
691	H	92.2	Very high	91.9	Very high	15 Å²	15	24.7 Å²	24.7	7%	0.069	11%	0.111	C	C	.	.	H	α-helix	trans	-66.4	-37.7	-174.5	-75.9	-162	0	0	0	111.5	L687 N694 I695 R755 D758	L687-H691 WeakPolarHBondContact O-CB 3.36Å; L687-H691 PolarHBondContact O-CD2 3.25Å; L687-H691 VanDerWaalsContact O-CG 3.23Å; L687-H691 PolarHBondContact O-N 2.9Å; H691-N694 PolarHBondContact O-N 3.1Å; H691-N694 VanDerWaalsContact O-N 3.08Å; H691-I695 PolarHBondContact CD2-O 2.8Å; H691-R755 PolarHBondContact CE1-O 3.34Å; H691-R755 PolarHBondContact O-NE 3.14Å; H691-R755 VanDerWaalsContact O-NE 3.1Å; H691-R755 PolarHBondContact O-NH2 3.32Å; H691-D758 IonicContact CD2-OD2 2.86Å; H691-D758 IonicContact CE1-OD2 3.68Å; H691-D758 IonicContact NE2-OD2 3.98Å; H691-D758 PolarHBondContact NE2-OD2 3.46Å
692	F	91	Very high	91.1	Very high	175 Å²	175	24 Å²	24	77%	0.768	11%	0.107	S	C	*	.	H	α-helix	trans	-61	-44.7	170.5	-177.3	-98.6	0	0	0	111.9	R688 L690 N694	R688-F692 VanDerWaalsContact O-CB 3.27Å; R688-F692 WeakPolarHBondContact O-CB 3.4Å; R688-F692 PolarHBondContact O-N 3.16Å; L690-F692 PolarHBondContact O-N 3.37Å; F692-N694 PolarHBondContact O-N 3.13Å; F692-N694 PolarHBondContact O-ND2 3.27Å
693	K	89.8	Confident	90.3	Very high	89 Å²	89	26.9 Å²	26.9	39%	0.387	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	9.3	172.1	-70.6	171	176.5	-93.4	0	114.2	N629 L630 N689 L690 I695	N629-K693 PolarHBondContact O-NZ 3.16Å; L630-K693 HydrophobicContact CD2-CD 3.59Å; N689-K693 WeakPolarHBondContact O-CG 3.18Å; N689-K693 PolarHBondContact O-N 3.16Å; N689-K693 VanDerWaalsContact O-N 3.11Å; N689-K693 WeakPolarHBondContact OD1-CD 3.46Å; N689-K693 VanDerWaalsContact OD1-CE 3.26Å; N689-K693 WeakPolarHBondContact OD1-CE 3.48Å; L690-K693 CarbonylContact O-C 3.57Å; L690-K693 WeakPolarHBondContact O-CA 3.37Å; L690-K693 PolarHBondContact O-N 3.06Å; L690-K693 VanDerWaalsContact O-N 3.12Å; K693-I695 HydrophobicContact CB-CD1 3.92Å; K693-I695 HydrophobicContact CB-CG1 4.38Å; K693-I695 PolarHBondContact O-N 3.21Å
694	N	86.9	Confident	89.8	Confident	44 Å²	44	27.3 Å²	27.3	24%	0.235	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	21.7	-175.3	-72.7	-91.8	0	0	0	114.8	L690 H691 F692 I726 I727 E729 R755	L690-N694 PolarHBondContact O-N 2.69Å; H691-N694 PolarHBondContact O-N 3.1Å; H691-N694 VanDerWaalsContact O-N 3.08Å; F692-N694 PolarHBondContact O-N 3.13Å; F692-N694 PolarHBondContact O-ND2 3.27Å; N694-I726 HydrophobicContact CB-CG2 4.47Å; N694-I726 CarbonylContact O-C 3.36Å; N694-I726 WeakPolarHBondContact O-CA 3.45Å; N694-I727 PolarHBondContact O-N 3.07Å; N694-I727 PolarHBondContact OD1-O 3.37Å; N694-E729 WeakPolarHBondContact OD1-CG 3.47Å; N694-R755 PolarHBondContact OD1-NH2 3.31Å
695	I	88.3	Confident	89.5	Confident	8 Å²	8	27.3 Å²	27.3	4%	0.041	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.3	176.8	-63.6	158.3	0	0	0	109.4	I626 L630 L690 H691 K693 A724 R725 I726	I626-I695 HydrophobicContact CG2-CD1 4.29Å; I626-I695 HydrophobicContact CG2-CG2 4.18Å; L630-I695 HydrophobicContact CD1-CD1 4.45Å; L630-I695 HydrophobicContact CD2-CD1 3.86Å; L630-I695 HydrophobicContact CG-CD1 4.28Å; L690-I695 CarbonylContact C-O 3.56Å; L690-I695 VanDerWaalsContact C-O 3.29Å; L690-I695 HydrophobicContact CB-CB 4.32Å; L690-I695 HydrophobicContact CB-CG2 4.49Å; L690-I695 HydrophobicContact CD2-CB 4.31Å; L690-I695 HydrophobicContact CD2-CG2 4.02Å; L690-I695 WeakPolarHBondContact O-CA 3.49Å; L690-I695 PolarHBondContact O-N 3.33Å; H691-I695 PolarHBondContact CD2-O 2.8Å; K693-I695 HydrophobicContact CB-CD1 3.92Å; K693-I695 HydrophobicContact CB-CG1 4.38Å; K693-I695 PolarHBondContact O-N 3.21Å; I695-A724 HydrophobicContact CG2-CB 4.49Å; I695-R725 WeakPolarHBondContact CA-O 3.5Å; I695-I726 HydrophobicContact CG1-CG1 4.1Å
696	V	88.4	Confident	89.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.5	176.5	-175.1	0	0	0	0	108.2	C698 A724 R725 I727 R755 D758	V696-C698 PolarHBondContact O-SG 2.87Å; V696-A724 VanDerWaalsContact O-CA 3.27Å; V696-A724 WeakPolarHBondContact O-CA 3.36Å; V696-R725 PolarHBondContact N-O 2.83Å; V696-R725 PolarHBondContact O-N 3.21Å; V696-I727 HydrophobicContact CB-CD1 4.07Å; V696-I727 HydrophobicContact CG2-CB 4.18Å; V696-I727 HydrophobicContact CG2-CD1 3.92Å; V696-I727 HydrophobicContact CG2-CG1 4.18Å; V696-R755 HydrophobicContact CG2-CB 4.26Å; V696-R755 HydrophobicContact CG2-CG 3.86Å; V696-D758 WeakPolarHBondContact CA-OD2 3.42Å; V696-D758 VanDerWaalsContact CG1-OD2 3.3Å; V696-D758 WeakPolarHBondContact CG1-OD2 3.47Å
697	H	88.9	Confident	89.1	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.132	C	C	.	.			trans	-74.7	-39.8	-169.9	-165.2	-99.6	0	0	0	113.3	D699 L700 C719 F721 D758	H697-D699 PolarHBondContact O-N 2.84Å; H697-L700 PolarHBondContact ND1-N 3.43Å; H697-C719 PolarHBondContact CE1-O 3.41Å; H697-C719 VanDerWaalsContact CE1-O 3.3Å; H697-C719 PolarHBondContact NE2-O 2.97Å; H697-C719 VanDerWaalsContact NE2-O 3.17Å; H697-F721 AromaticContact CD2-CD1 3.98Å; H697-F721 AromaticContact CD2-CE1 3.74Å; H697-F721 AromaticContact CD2-CZ 3.97Å; H697-D758 PolarHBondContact N-OD1 3Å; H697-D758 VanDerWaalsContact N-OD1 3.15Å; H697-D758 PolarHBondContact N-OD2 3.43Å
698	C	84.1	Confident	89	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	15%	0.15	C	C	.	.	S	Bend	trans	66.2	-10.6	171.3	-54.4	0	0	0	0	118.1	V696 F723 V737 G738 D758	V696-C698 PolarHBondContact O-SG 2.87Å; C698-F723 HydrophobicContact CB-CB 4.11Å; C698-F723 WeakPolarHBondContact CB-O 3.27Å; C698-V737 HydrophobicContact CB-CG2 4.03Å; C698-G738 VanDerWaalsContact O-CA 3.32Å; C698-G738 WeakPolarHBondContact O-CA 3.48Å; C698-D758 PolarHBondContact N-OD1 3.06Å
699	D	80.7	Confident	88.9	Confident	6 Å²	6	27.9 Å²	27.9	3%	0.032	14%	0.142	C	C	.	.			trans	-141.9	51.4	166.2	-165.7	47.5	0	0	0	110.7	H697 K701 N704 F723 G738 T739	H697-D699 PolarHBondContact O-N 2.84Å; D699-K701 IonicContact OD2-NZ 3.43Å; D699-K701 PolarHBondContact OD2-NZ 2.98Å; D699-N704 PolarHBondContact O-ND2 3.13Å; D699-F723 HydrophobicContact CB-CB 4.03Å; D699-F723 HydrophobicContact CB-CD2 3.45Å; D699-F723 VanDerWaalsContact CB-CD2 3.45Å; D699-F723 HydrophobicContact CB-CE2 4.25Å; D699-F723 HydrophobicContact CB-CG 3.98Å; D699-G738 VanDerWaalsContact OD1-C 3.31Å; D699-G738 WeakPolarHBondContact OD1-CA 3.31Å; D699-T739 WeakPolarHBondContact OD1-CB 3.48Å; D699-T739 PolarHBondContact OD1-N 2.69Å; D699-T739 PolarHBondContact OD1-OG1 3.03Å
700	L	87.4	Confident	88.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.			trans	-74.5	126.8	174	-172.2	72.4	0	0	0	109.9	I683 L687 H697 V705 L718 S761 V762 I765	I683-L700 HydrophobicContact CG2-CD2 4.23Å; L687-L700 HydrophobicContact CD1-CD2 3.99Å; L687-L700 HydrophobicContact CD2-CD2 4.4Å; H697-L700 PolarHBondContact ND1-N 3.43Å; L700-V705 HydrophobicContact CD1-CG2 4.37Å; L700-L718 HydrophobicContact CD1-CD1 4.31Å; L700-L718 HydrophobicContact CD1-CD2 3.76Å; L700-S761 WeakPolarHBondContact O-CB 3.3Å; L700-V762 HydrophobicContact CD2-CG2 3.69Å; L700-I765 HydrophobicContact CD2-CD1 4.06Å; L700-I765 HydrophobicContact CG-CD1 3.77Å
701	K	82.9	Confident	88.5	Confident	17 Å²	17	33.9 Å²	33.9	7%	0.074	18%	0.183	C	C	.	.			trans	-164.1	160.5	-178.6	60.5	-174.2	-170.3	-67	0	109.2	D699 E703 N704 V705 Y742	D699-K701 IonicContact OD2-NZ 3.43Å; D699-K701 PolarHBondContact OD2-NZ 2.98Å; K701-E703 WeakPolarHBondContact CB-OE2 3.47Å; K701-E703 WeakPolarHBondContact CD-OE1 3.45Å; K701-E703 WeakPolarHBondContact CE-OE1 3.48Å; K701-E703 HydrophobicContact CG-CB 4.43Å; K701-E703 WeakPolarHBondContact CG-OE2 3.33Å; K701-E703 PolarHBondContact O-N 3.06Å; K701-E703 VanDerWaalsContact O-N 3.16Å; K701-N704 HydrophobicContact CG-CB 4.16Å; K701-N704 PolarHBondContact NZ-ND2 2.74Å; K701-N704 PolarHBondContact NZ-OD1 3.29Å; K701-N704 WeakPolarHBondContact O-CA 3.43Å; K701-N704 PolarHBondContact O-N 3.06Å; K701-V705 PolarHBondContact O-N 3.48Å; K701-Y742 HydrophobicContact CB-CD1 4.12Å; K701-Y742 HydrophobicContact CB-CD2 3.79Å; K701-Y742 HydrophobicContact CB-CE1 4.03Å; K701-Y742 HydrophobicContact CB-CE2 3.64Å; K701-Y742 HydrophobicContact CB-CG 4.03Å; K701-Y742 HydrophobicContact CD-CD2 4.4Å; K701-Y742 HydrophobicContact CD-CE2 4.25Å
702	P	82.1	Confident	88.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-55.3	-33.3	-177.2	-25.6	36.1	0	0	0	114.1	M659 L660 I663 N704 V705 Y742 I765	M659-P702 HydrophobicContact CB-CB 4.04Å; M659-P702 WeakPolarHBondContact CB-O 3.41Å; M659-P702 HydrophobicContact CG-CB 4.35Å; M659-P702 PolarHBondContact N-O 2.9Å; M659-P702 HydrophobicContact SD-CB 4.28Å; L660-P702 HydrophobicContact CB-CB 4Å; I663-P702 HydrophobicContact CD1-CB 4.28Å; I663-P702 HydrophobicContact CD1-CG 4.44Å; P702-N704 PolarHBondContact O-N 2.83Å; P702-V705 PolarHBondContact O-N 3.41Å; P702-V705 VanDerWaalsContact O-N 3.12Å; P702-Y742 VanDerWaalsContact CD-OH 3.22Å; P702-Y742 WeakPolarHBondContact CD-OH 3.34Å; P702-Y742 HydrophobicContact CG-CE1 4.41Å; P702-I765 HydrophobicContact CG-CG1 4.05Å
703	E	81.9	Confident	88.3	Confident	59 Å²	59	30.4 Å²	30.4	28%	0.276	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-67	-18.5	175.7	-45.3	97	100.9	0	0	113.7	L660 K701 Y742	L660-E703 HydrophobicContact CB-CG 4.13Å; L660-E703 HydrophobicContact CD2-CG 3.63Å; K701-E703 WeakPolarHBondContact CB-OE2 3.47Å; K701-E703 WeakPolarHBondContact CD-OE1 3.45Å; K701-E703 WeakPolarHBondContact CE-OE1 3.48Å; K701-E703 HydrophobicContact CG-CB 4.43Å; K701-E703 WeakPolarHBondContact CG-OE2 3.33Å; K701-E703 PolarHBondContact O-N 3.06Å; K701-E703 VanDerWaalsContact O-N 3.16Å; E703-Y742 PolarHBondContact OE2-OH 3.48Å
704	N	88.3	Confident	88.5	Confident	11 Å²	11	26.2 Å²	26.2	6%	0.059	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-102.9	11.3	176.9	-74.4	18.2	0	0	0	112.2	D699 K701 P702 C719	D699-N704 PolarHBondContact O-ND2 3.13Å; K701-N704 HydrophobicContact CG-CB 4.16Å; K701-N704 PolarHBondContact NZ-ND2 2.74Å; K701-N704 PolarHBondContact NZ-OD1 3.29Å; K701-N704 WeakPolarHBondContact O-CA 3.43Å; K701-N704 PolarHBondContact O-N 3.06Å; P702-N704 PolarHBondContact O-N 2.83Å; N704-C719 PolarHBondContact O-N 3.17Å
705	V	92.3	Very high	89	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	96.8	175.4	177.5	0	0	0	0	106.8	D658 M659 I683 L700 K701 P702 V716 L718 I765	D658-V705 WeakPolarHBondContact CA-O 3.47Å; M659-V705 HydrophobicContact CB-CB 3.88Å; M659-V705 HydrophobicContact CB-CG1 3.91Å; M659-V705 HydrophobicContact CG-CG1 4.37Å; M659-V705 PolarHBondContact N-O 2.89Å; M659-V705 HydrophobicContact SD-CB 4.23Å; M659-V705 HydrophobicContact SD-CG1 3.95Å; I683-V705 HydrophobicContact CD1-CG1 3.92Å; I683-V705 HydrophobicContact CD1-CG2 4.05Å; I683-V705 HydrophobicContact CG1-CG1 4.16Å; I683-V705 HydrophobicContact CG1-CG2 4.43Å; L700-V705 HydrophobicContact CD1-CG2 4.37Å; K701-V705 PolarHBondContact O-N 3.48Å; P702-V705 PolarHBondContact O-N 3.41Å; P702-V705 VanDerWaalsContact O-N 3.12Å; V705-V716 HydrophobicContact CG1-CG1 3.45Å; V705-V716 VanDerWaalsContact CG1-CG1 3.45Å; V705-L718 HydrophobicContact CG2-CD2 4.02Å; V705-I765 HydrophobicContact CG2-CD1 4.48Å
706	L	92.6	Very high	89.4	Confident	33 Å²	33	25.3 Å²	25.3	17%	0.173	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	150.9	-175.5	-55.5	-176.1	0	0	0	111.8	L655 G657 D658 V716 K717 C719	L655-L706 HydrophobicContact CB-CB 3.9Å; L655-L706 HydrophobicContact CB-CD1 4.2Å; L655-L706 HydrophobicContact CD2-CB 4.41Å; L655-L706 HydrophobicContact CD2-CD1 3.74Å; L655-L706 HydrophobicContact CG-CB 3.75Å; L655-L706 HydrophobicContact CG-CD1 3.97Å; G657-L706 WeakPolarHBondContact O-CA 3.36Å; D658-L706 HydrophobicContact CB-CD2 3.88Å; L706-V716 CarbonylContact O-C 3.09Å; L706-V716 WeakPolarHBondContact O-CA 3.3Å; L706-K717 PolarHBondContact N-O 3.3Å; L706-K717 PolarHBondContact O-N 3.42Å; L706-C719 HydrophobicContact CD1-CB 3.67Å; L706-C719 HydrophobicContact CG-CB 3.96Å; L706-C719 VanDerWaalsContact CG-SG 3.58Å
707	L	94.4	Very high	89.8	Confident	8 Å²	8	26.3 Å²	26.3	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.4	-177.1	-49.9	-179.7	0	0	0	110	H656 G657 M662 M679 S709 P714 V716	H656-L707 WeakPolarHBondContact CB-O 3.11Å; H656-L707 PolarHBondContact N-O 2.98Å; G657-L707 PolarHBondContact O-N 2.85Å; M662-L707 HydrophobicContact CB-CD1 3.73Å; M662-L707 HydrophobicContact CG-CD1 4.05Å; M662-L707 HydrophobicContact SD-CD1 3.72Å; M679-L707 HydrophobicContact SD-CD2 3.69Å; L707-S709 VanDerWaalsContact C-N 3.31Å; L707-S709 PolarHBondContact O-N 3.24Å; L707-P714 HydrophobicContact CB-CB 4.32Å; L707-P714 HydrophobicContact CB-CG 4.15Å; L707-P714 HydrophobicContact CD1-CG 4.4Å; L707-P714 HydrophobicContact CD2-CG 3.99Å; L707-P714 HydrophobicContact CG-CG 4.4Å; L707-V716 HydrophobicContact CD2-CG2 4.05Å
708	A	93.5	Very high	90.1	Very high	45 Å²	45	26.3 Å²	26.3	37%	0.372	16%	0.155	S	C	.	.	S	Bend	trans	-72.5	-20.4	-177.7	0	0	0	0	0	114.4	L655 Q715	L655-A708 HydrophobicContact CD1-CB 4.2Å; A708-Q715 HydrophobicContact CB-CB 3.84Å; A708-Q715 PolarHBondContact N-O 3.41Å
709	S	93.2	Very high	90.3	Very high	34 Å²	34	27 Å²	27	24%	0.238	16%	0.16	C	C	.	.	S	Bend	trans	-146.7	172.9	-178.4	71.5	0	0	0	0	111.9	L707 E711	L707-S709 VanDerWaalsContact C-N 3.31Å; L707-S709 PolarHBondContact O-N 3.24Å; S709-E711 WeakPolarHBondContact OG-CB 3.48Å; S709-E711 PolarHBondContact OG-N 3.14Å
710	A	88.4	Confident	90.2	Very high	80 Å²	80	28.2 Å²	28.2	66%	0.661	17%	0.166	S	C	*	.	S	Bend	trans	-82.6	5.2	172.5	0	0	0	0	0	113.5	H656	H656-A710 WeakPolarHBondContact NE2-CB 3.41Å
711	E	90.3	Very high	89.9	Confident	87 Å²	87	28.2 Å²	28.2	41%	0.407	17%	0.166	S	C	.	.	S	Bend	trans	-75	156.5	-174.6	-64	-175.2	159.5	0	0	112	S709 F713 P714 R847	S709-E711 WeakPolarHBondContact OG-CB 3.48Å; S709-E711 PolarHBondContact OG-N 3.14Å; E711-F713 PolarHBondContact O-N 3.17Å; E711-P714 WeakPolarHBondContact O-CD 3.4Å; E711-R847 IonicContact OE1-NH1 3.53Å; E711-R847 IonicContact OE2-CZ 3.4Å; E711-R847 IonicContact OE2-NH1 2.73Å; E711-R847 PolarHBondContact OE2-NH1 3.13Å; E711-R847 IonicContact OE2-NH2 2.72Å
712	P	84.9	Confident	89.3	Confident	73 Å²	73	27.4 Å²	27.4	47%	0.474	16%	0.163	S	C	.	.	S	Bend	trans	-63.6	-20.4	174.6	-22.2	34.1	0	0	0	114.3	I675	I675-P712 HydrophobicContact CD1-CB 4.02Å
713	F	94.5	Very high	88.8	Confident	44 Å²	44	28 Å²	28	19%	0.193	17%	0.166	C	C	.	.	S	Bend	trans	-129	70.6	-179.8	-62	-82	0	0	0	110.8	R674 I675 F678 E711 D840 R847	R674-F713 HydrophobicContact CG-CE1 4.19Å; R674-F713 HydrophobicContact CG-CZ 4.12Å; I675-F713 HydrophobicContact CG1-CE1 4.27Å; I675-F713 HydrophobicContact CG1-CZ 4.19Å; F678-F713 HydrophobicContact CB-CD1 4.12Å; F678-F713 HydrophobicContact CB-CE1 4.31Å; F678-F713 HydrophobicContact CD1-CB 4.32Å; F678-F713 AromaticContact CD1-CD1 3.8Å; F678-F713 HydrophobicContact CD1-CD1 3.8Å; F678-F713 AromaticContact CD2-CD1 3.83Å; F678-F713 HydrophobicContact CD2-CD1 3.83Å; F678-F713 VanDerWaalsContact CE1-C 3.49Å; F678-F713 VanDerWaalsContact CE1-CA 3.49Å; F678-F713 HydrophobicContact CE1-CB 3.8Å; F678-F713 HydrophobicContact CE1-CD1 4.12Å; F678-F713 HydrophobicContact CE1-CG 4.48Å; F678-F713 HydrophobicContact CE2-CB 4.25Å; F678-F713 HydrophobicContact CE2-CD1 4.14Å; F678-F713 AromaticContact CG-CD1 3.65Å; F678-F713 HydrophobicContact CG-CD1 3.65Å; F678-F713 HydrophobicContact CG-CE1 4.32Å; F678-F713 HydrophobicContact CZ-CB 3.76Å; F678-F713 HydrophobicContact CZ-CD1 4.29Å; E711-F713 PolarHBondContact O-N 3.17Å; F713-D840 HydrophobicContact CD1-CB 4.23Å; F713-D840 HydrophobicContact CE1-CB 4.11Å; F713-D840 VanDerWaalsContact CE1-OD2 3.24Å; F713-D840 WeakPolarHBondContact CE1-OD2 3.47Å; F713-R847 PolarHBondContact O-NH2 3.19Å; F713-R847 VanDerWaalsContact O-NH2 3.13Å
714	P	95.4	Very high	88.6	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.006	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-89.1	163.4	-175.4	37.8	-35	0	0	0	112.1	F678 Q682 L707 E711 V716	F678-P714 WeakPolarHBondContact CE1-O 3.45Å; Q682-P714 PolarHBondContact NE2-O 3.47Å; L707-P714 HydrophobicContact CB-CB 4.32Å; L707-P714 HydrophobicContact CB-CG 4.15Å; L707-P714 HydrophobicContact CD1-CG 4.4Å; L707-P714 HydrophobicContact CD2-CG 3.99Å; L707-P714 HydrophobicContact CG-CG 4.4Å; E711-P714 WeakPolarHBondContact O-CD 3.4Å; P714-V716 PolarHBondContact O-N 3.29Å
715	Q	96.9	Very high	88.1	Confident	31 Å²	31	25.7 Å²	25.7	15%	0.145	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-67.2	131.5	163.5	-173.5	167.3	59.7	0	0	109.7	A708 K717 F844 Y852	A708-Q715 HydrophobicContact CB-CB 3.84Å; A708-Q715 PolarHBondContact N-O 3.41Å; Q715-K717 HydrophobicContact CG-CG 4.34Å; Q715-F844 HydrophobicContact CB-CE2 3.76Å; Q715-F844 HydrophobicContact CB-CZ 3.58Å; Q715-F844 HydrophobicContact CG-CZ 3.83Å; Q715-Y852 PolarHBondContact NE2-OH 3.25Å
716	V	97.2	Very high	87.3	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.8	175.7	172.5	0	0	0	0	110	G634 M679 Q682 I683 V705 L706 L707 P714	G634-V716 WeakPolarHBondContact CA-O 3.03Å; M679-V716 HydrophobicContact CB-CG2 3.98Å; M679-V716 HydrophobicContact CG-CG2 3.66Å; M679-V716 HydrophobicContact SD-CG2 4.05Å; Q682-V716 HydrophobicContact CB-CB 3.89Å; Q682-V716 HydrophobicContact CB-CG2 4.29Å; I683-V716 HydrophobicContact CG1-CG1 3.94Å; V705-V716 HydrophobicContact CG1-CG1 3.45Å; V705-V716 VanDerWaalsContact CG1-CG1 3.45Å; L706-V716 CarbonylContact O-C 3.09Å; L706-V716 WeakPolarHBondContact O-CA 3.3Å; L707-V716 HydrophobicContact CD2-CG2 4.05Å; P714-V716 PolarHBondContact O-N 3.29Å
717	K	96.1	Very high	86.2	Confident	22 Å²	22	29.4 Å²	29.4	10%	0.096	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.4	175.2	-59.8	-160.9	-178.4	-176.7	0	112.5	P633 G634 E653 L655 L706 Q715	P633-K717 WeakPolarHBondContact O-CE 3.32Å; P633-K717 WeakPolarHBondContact O-CG 2.98Å; G634-K717 WeakPolarHBondContact O-CA 3.45Å; E653-K717 VanDerWaalsContact OE1-CD 3.25Å; E653-K717 WeakPolarHBondContact OE1-CD 3.25Å; E653-K717 IonicContact OE1-NZ 2.77Å; E653-K717 PolarHBondContact OE1-NZ 2.85Å; E653-K717 IonicContact OE2-NZ 2.66Å; E653-K717 PolarHBondContact OE2-NZ 3.35Å; L655-K717 HydrophobicContact CD1-CD 4.2Å; L706-K717 PolarHBondContact N-O 3.3Å; L706-K717 PolarHBondContact O-N 3.42Å; Q715-K717 HydrophobicContact CG-CG 4.34Å
718	L	94.5	Very high	84.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	142.7	175.9	-57.3	-173.6	0	0	0	111.7	G634 V636 I683 A686 L687 L690 L700 V705 F721	G634-L718 PolarHBondContact O-N 2.9Å; V636-L718 WeakPolarHBondContact CG1-O 3.42Å; V636-L718 PolarHBondContact N-O 3.16Å; I683-L718 HydrophobicContact CG1-CD2 4.34Å; I683-L718 HydrophobicContact CG2-CD2 4.42Å; A686-L718 HydrophobicContact CB-CD1 3.72Å; A686-L718 HydrophobicContact CB-CG 4.01Å; L687-L718 HydrophobicContact CD2-CD1 4.3Å; L687-L718 HydrophobicContact CG-CD1 4.43Å; L690-L718 HydrophobicContact CD1-CD1 4.28Å; L700-L718 HydrophobicContact CD1-CD1 4.31Å; L700-L718 HydrophobicContact CD1-CD2 3.76Å; V705-L718 HydrophobicContact CG2-CD2 4.02Å; L718-F721 HydrophobicContact CB-CZ 4.46Å
719	C	88.4	Confident	82.2	Confident	16 Å²	16	35.7 Å²	35.7	11%	0.108	20%	0.203	C	C	.	.			trans	-144.2	174.1	-177	85.1	0	0	0	0	115.2	V636 H697 N704 L706	V636-C719 HydrophobicContact CB-CB 4.3Å; V636-C719 HydrophobicContact CG1-CB 3.89Å; H697-C719 PolarHBondContact CE1-O 3.41Å; H697-C719 VanDerWaalsContact CE1-O 3.3Å; H697-C719 PolarHBondContact NE2-O 2.97Å; H697-C719 VanDerWaalsContact NE2-O 3.17Å; N704-C719 PolarHBondContact O-N 3.17Å; L706-C719 HydrophobicContact CD1-CB 3.67Å; L706-C719 HydrophobicContact CG-CB 3.96Å; L706-C719 VanDerWaalsContact CG-SG 3.58Å
720	D	79.8	Confident	79.8	Confident	30 Å²	30	43.1 Å²	43.1	16%	0.16	23%	0.231	C	C	.	.			trans	58.9	62.1	-177.3	-160.4	34.9	0	0	0	114.2	K605 G722	K605-D720 IonicContact NZ-OD1 2.68Å; K605-D720 PolarHBondContact NZ-OD1 3.14Å; D720-G722 PolarHBondContact O-N 2.95Å
721	F	80.4	Confident	77.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-69.2	12.1	177	-73	-100.4	0	0	0	113.8	E623 I626 L627 L630 I635 V636 L690 H697 L718 F723 A724	E623-F721 HydrophobicContact CG-CB 4.06Å; E623-F721 PolarHBondContact OE1-N 2.85Å; I626-F721 HydrophobicContact CG2-CD1 3.81Å; I626-F721 HydrophobicContact CG2-CE1 4.5Å; I626-F721 HydrophobicContact CG2-CG 4.45Å; L627-F721 HydrophobicContact CD2-CB 4.45Å; L627-F721 HydrophobicContact CD2-CD2 3.56Å; L627-F721 HydrophobicContact CD2-CE2 3.97Å; L627-F721 HydrophobicContact CD2-CG 4.05Å; L627-F721 HydrophobicContact CG-CB 4.29Å; L627-F721 HydrophobicContact CG-CD2 4.3Å; L627-F721 HydrophobicContact CG-CG 4.39Å; L630-F721 HydrophobicContact CD1-CD1 4.09Å; L630-F721 HydrophobicContact CD1-CE1 3.62Å; L630-F721 HydrophobicContact CD1-CZ 4.05Å; I635-F721 HydrophobicContact CG2-CE2 3.89Å; I635-F721 HydrophobicContact CG2-CZ 3.76Å; V636-F721 HydrophobicContact CG1-CE2 4.5Å; L690-F721 HydrophobicContact CD1-CE1 3.89Å; L690-F721 HydrophobicContact CD1-CZ 4.25Å; L690-F721 HydrophobicContact CD2-CE1 3.8Å; L690-F721 HydrophobicContact CD2-CZ 4.33Å; H697-F721 AromaticContact CD2-CD1 3.98Å; H697-F721 AromaticContact CD2-CE1 3.74Å; H697-F721 AromaticContact CD2-CZ 3.97Å; L718-F721 HydrophobicContact CB-CZ 4.46Å; F721-F723 PolarHBondContact O-N 3.5Å; F721-F723 VanDerWaalsContact O-N 3.14Å; F721-A724 HydrophobicContact CB-CB 3.92Å; F721-A724 HydrophobicContact CD1-CB 3.67Å; F721-A724 HydrophobicContact CG-CB 4.24Å; F721-A724 VanDerWaalsContact O-CB 3.26Å; F721-A724 WeakPolarHBondContact O-CB 3.25Å; F721-A724 PolarHBondContact O-N 3.37Å
722	G	71.1	Confident	75.6	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.01	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-58	-23.7	177.5	0	0	0	0	0	115.2	E623 D720	E623-G722 VanDerWaalsContact CD-N 3.31Å; E623-G722 PolarHBondContact OE1-N 2.9Å; E623-G722 WeakPolarHBondContact OE2-CA 3.5Å; D720-G722 PolarHBondContact O-N 2.95Å
723	F	71.3	Confident	73.9	Confident	12 Å²	12	45.8 Å²	45.8	5%	0.053	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-98.7	-10.5	171	-71.5	-70.6	0	0	0	114.5	R180 C698 D699 F721 R725 V737	R180-F723 VanDerWaalsContact CZ-CZ 3.4Å; C698-F723 HydrophobicContact CB-CB 4.11Å; C698-F723 WeakPolarHBondContact CB-O 3.27Å; D699-F723 HydrophobicContact CB-CB 4.03Å; D699-F723 HydrophobicContact CB-CD2 3.45Å; D699-F723 VanDerWaalsContact CB-CD2 3.45Å; D699-F723 HydrophobicContact CB-CE2 4.25Å; D699-F723 HydrophobicContact CB-CG 3.98Å; F721-F723 PolarHBondContact O-N 3.5Å; F721-F723 VanDerWaalsContact O-N 3.14Å; F723-R725 WeakPolarHBondContact O-CG 3.32Å; F723-V737 HydrophobicContact CD1-CB 3.81Å; F723-V737 HydrophobicContact CD1-CG1 3.91Å; F723-V737 HydrophobicContact CE1-CB 4.37Å; F723-V737 HydrophobicContact CE1-CG1 4.37Å
724	A	78	Confident	71.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.252	C	S	.	.			trans	-66.8	148.8	-169.4	0	0	0	0	0	112.5	N622 I626 I695 V696 F721	N622-A724 PolarHBondContact ND2-O 3.03Å; I626-A724 HydrophobicContact CD1-CB 3.94Å; I626-A724 WeakPolarHBondContact CD1-O 3.25Å; I695-A724 HydrophobicContact CG2-CB 4.49Å; V696-A724 VanDerWaalsContact O-CA 3.27Å; V696-A724 WeakPolarHBondContact O-CA 3.36Å; F721-A724 HydrophobicContact CB-CB 3.92Å; F721-A724 HydrophobicContact CD1-CB 3.67Å; F721-A724 HydrophobicContact CG-CB 4.24Å; F721-A724 VanDerWaalsContact O-CB 3.26Å; F721-A724 WeakPolarHBondContact O-CB 3.25Å; F721-A724 PolarHBondContact O-N 3.37Å
725	R	75.9	Confident	69.1	Low	22 Å²	22	55.5 Å²	55.5	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.3	-172.8	-62.7	-170.6	-172.5	-51.5	3.4	111.9	I695 V696 F723 I727 Y753	I695-R725 WeakPolarHBondContact CA-O 3.5Å; V696-R725 PolarHBondContact N-O 2.83Å; V696-R725 PolarHBondContact O-N 3.21Å; F723-R725 WeakPolarHBondContact O-CG 3.32Å; R725-I727 HydrophobicContact CB-CD1 4.24Å; R725-I727 HydrophobicContact CB-CG1 3.92Å; R725-I727 PolarHBondContact O-N 3.32Å; R725-Y753 VanDerWaalsContact CD-OH 3.29Å; R725-Y753 WeakPolarHBondContact CD-OH 3.29Å; R725-Y753 PolarHBondContact NE-OH 2.9Å
726	I	77.2	Confident	66.9	Low	106 Å²	106	58.4 Å²	58.4	54%	0.544	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.4	158	-53.7	174.1	0	0	0	107.7	N694 I695	N694-I726 HydrophobicContact CB-CG2 4.47Å; N694-I726 CarbonylContact O-C 3.36Å; N694-I726 WeakPolarHBondContact O-CA 3.45Å; I695-I726 HydrophobicContact CG1-CG1 4.1Å
727	I	69.3	Low	64.7	Low	4 Å²	4	58.8 Å²	58.8	2%	0.021	29%	0.288	C	S	.	.			trans	-135.7	95.8	178	-53.8	-175.3	0	0	0	107.6	N694 V696 R725 S731 Y753	N694-I727 PolarHBondContact O-N 3.07Å; N694-I727 PolarHBondContact OD1-O 3.37Å; V696-I727 HydrophobicContact CB-CD1 4.07Å; V696-I727 HydrophobicContact CG2-CB 4.18Å; V696-I727 HydrophobicContact CG2-CD1 3.92Å; V696-I727 HydrophobicContact CG2-CG1 4.18Å; R725-I727 HydrophobicContact CB-CD1 4.24Å; R725-I727 HydrophobicContact CB-CG1 3.92Å; R725-I727 PolarHBondContact O-N 3.32Å; I727-S731 VanDerWaalsContact CG2-O 3.25Å; I727-S731 WeakPolarHBondContact CG2-O 3.48Å; I727-Y753 HydrophobicContact CD1-CD2 3.86Å; I727-Y753 HydrophobicContact CD1-CE2 3.69Å
728	G	55.7	Low	62.6	Low	35 Å²	35	57.9 Å²	57.9	36%	0.361	29%	0.285	S	S	.	.			trans	-61.6	153.6	170.4	0	0	0	0	0	111.7	K730 S731	G728-K730 PolarHBondContact O-N 3.08Å; G728-S731 VanDerWaalsContact O-CB 3.26Å; G728-S731 WeakPolarHBondContact O-CB 3.47Å; G728-S731 PolarHBondContact O-N 3.48Å
729	E	46.7	Very low	60.7	Low	150 Å²	150	58.9 Å²	58.9	70%	0.701	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-8.3	-158.9	-55.7	-168.2	142.5	0	0	117.5	N694 R755	N694-E729 WeakPolarHBondContact OD1-CG 3.47Å; E729-R755 VanDerWaalsContact CG-NH2 3.28Å; E729-R755 IonicContact OE1-CZ 2.72Å; E729-R755 IonicContact OE1-NH1 3.71Å; E729-R755 PolarHBondContact OE1-NH1 2.94Å; E729-R755 IonicContact OE1-NH2 3.15Å; E729-R755 PolarHBondContact OE1-NH2 2.81Å
730	K	44.3	Very low	59.2	Low	191 Å²	191	59.9 Å²	59.9	83%	0.83	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	7.8	178.4	-60	175.4	-175.2	171.8	0	113	G728	G728-K730 PolarHBondContact O-N 3.08Å
731	S	41.5	Very low	58.2	Low	58 Å²	58	58.8 Å²	58.8	41%	0.406	29%	0.293	S	S	.	.			trans	-93.1	121.4	-174.8	-171.1	0	0	0	0	111.9	I727 G728	I727-S731 VanDerWaalsContact CG2-O 3.25Å; I727-S731 WeakPolarHBondContact CG2-O 3.48Å; G728-S731 VanDerWaalsContact O-CB 3.26Å; G728-S731 WeakPolarHBondContact O-CB 3.47Å; G728-S731 PolarHBondContact O-N 3.48Å
732	F	47.7	Very low	57.4	Low	140 Å²	140	59.1 Å²	59.1	61%	0.614	29%	0.294	S	S	*	.			trans	-114.1	109.9	-176	-70.4	-68.3	0	0	0	111.2	G752	F732-G752 WeakPolarHBondContact CD1-O 3.43Å
733	R	49.7	Very low	57.3	Low	98 Å²	98	59.3 Å²	59.3	37%	0.37	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-98.4	150.1	177.7	-69.7	-141.6	-129.9	-169.8	2.5	113.8	G752 Y753	R733-G752 WeakPolarHBondContact O-CA 3.19Å; R733-G752 PolarHBondContact O-N 3.19Å; R733-Y753 HydrophobicContact CB-CD1 4.36Å; R733-Y753 HydrophobicContact CB-CE1 3.68Å; R733-Y753 HydrophobicContact CB-CE2 4.38Å; R733-Y753 WeakPolarHBondContact O-CD1 3.08Å; R733-Y753 WeakPolarHBondContact O-CE1 3.43Å; R733-Y753 PolarHBondContact O-N 3.17Å
734	R	45.1	Very low	57.3	Low	204 Å²	204	58.8 Å²	58.8	77%	0.77	29%	0.292	S	S	*	.			trans	-113	7.2	-172.8	-49.7	-174.1	-168.4	168.3	2.9	114.7	S750	R734-S750 WeakPolarHBondContact CG-O 3.24Å
735	S	44.3	Very low	57.3	Low	45 Å²	45	58.8 Å²	58.8	32%	0.315	29%	0.292	S	S	.	.			trans	-84.1	125.2	-176	62.6	0	0	0	0	112	V737 Y753	S735-V737 PolarHBondContact O-N 3.39Å; S735-Y753 VanDerWaalsContact O-CE1 3.27Å; S735-Y753 WeakPolarHBondContact O-CE1 3.27Å; S735-Y753 PolarHBondContact OG-OH 3.49Å
736	V	50.8	Low	57.2	Low	92 Å²	92	58.1 Å²	58.1	56%	0.558	29%	0.29	S	S	*	.			trans	-66.7	119.2	169.2	-177	0	0	0	0	109.5	L743 V747	V736-L743 HydrophobicContact CG1-CD1 4.45Å; V736-V747 HydrophobicContact CB-CG1 4.49Å; V736-V747 HydrophobicContact CG1-CG1 4.26Å
737	V	51.5	Low	56.8	Low	8 Å²	8	53.1 Å²	53.1	5%	0.048	27%	0.265	C	S	.	.			trans	-141.3	162.4	177.9	-70.4	0	0	0	0	108.7	C698 F723 S735 L743	C698-V737 HydrophobicContact CB-CG2 4.03Å; F723-V737 HydrophobicContact CD1-CB 3.81Å; F723-V737 HydrophobicContact CD1-CG1 3.91Å; F723-V737 HydrophobicContact CE1-CB 4.37Å; F723-V737 HydrophobicContact CE1-CG1 4.37Å; S735-V737 PolarHBondContact O-N 3.39Å; V737-L743 WeakPolarHBondContact O-CD2 3.47Å
738	G	51.9	Low	56.6	Low	4 Å²	4	55 Å²	55	4%	0.041	28%	0.275	C	S	.	.	S	Bend	trans	89	-174.9	-174.7	0	0	0	0	0	114.7	R180 C698 D699	R180-G738 PolarHBondContact NH1-O 2.87Å; R180-G738 VanDerWaalsContact NH1-O 3.09Å; R180-G738 PolarHBondContact NH2-O 3.37Å; C698-G738 VanDerWaalsContact O-CA 3.32Å; C698-G738 WeakPolarHBondContact O-CA 3.48Å; D699-G738 VanDerWaalsContact OD1-C 3.31Å; D699-G738 WeakPolarHBondContact OD1-CA 3.31Å
739	T	53.9	Low	56.9	Low	21 Å²	21	57.5 Å²	57.5	13%	0.129	27%	0.273	C	S	.	.			trans	-111.5	117.3	-173.2	-59.4	0	0	0	0	110.8	D699 A741 Y742 L743	D699-T739 WeakPolarHBondContact OD1-CB 3.48Å; D699-T739 PolarHBondContact OD1-N 2.69Å; D699-T739 PolarHBondContact OD1-OG1 3.03Å; T739-A741 PolarHBondContact O-N 3.14Å; T739-Y742 HydrophobicContact CG2-CD2 4.17Å; T739-Y742 WeakPolarHBondContact O-CA 3.12Å; T739-Y742 PolarHBondContact O-N 3.35Å; T739-L743 PolarHBondContact O-N 2.66Å
740	P	56.9	Low	57.4	Low	37 Å²	37	53 Å²	53	24%	0.24	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-41.8	-43.8	-167.3	-37.6	37.1	0	0	0	119.5	V179 Y742 L743 I786	V179-P740 HydrophobicContact CB-CG 4.33Å; V179-P740 HydrophobicContact CG1-CG 3.83Å; V179-P740 HydrophobicContact CG2-CB 3.93Å; V179-P740 HydrophobicContact CG2-CG 3.83Å; P740-Y742 PolarHBondContact O-N 3.19Å; P740-L743 HydrophobicContact CB-CD1 4.3Å; P740-L743 HydrophobicContact CG-CD1 4.03Å; P740-L743 PolarHBondContact O-N 3.4Å; P740-I786 WeakPolarHBondContact O-CD1 3.36Å
741	A	58.4	Low	57.9	Low	7 Å²	7	51.1 Å²	51.1	6%	0.058	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-61.3	-17.7	177.4	0	0	0	0	0	114	L178 T739 F774	L178-A741 HydrophobicContact CD1-CB 4.42Å; T739-A741 PolarHBondContact O-N 3.14Å; A741-F774 HydrophobicContact CB-CD1 3.72Å; A741-F774 HydrophobicContact CB-CE1 3.63Å; A741-F774 HydrophobicContact CB-CZ 4.47Å
742	Y	65.3	Low	58.7	Low	7 Å²	7	48.6 Å²	48.6	3%	0.027	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-112.2	6.2	178.1	-55.1	-83.7	0	0	0	113.3	K701 P702 E703 T739 P740 S761 V764 F774	K701-Y742 HydrophobicContact CB-CD1 4.12Å; K701-Y742 HydrophobicContact CB-CD2 3.79Å; K701-Y742 HydrophobicContact CB-CE1 4.03Å; K701-Y742 HydrophobicContact CB-CE2 3.64Å; K701-Y742 HydrophobicContact CB-CG 4.03Å; K701-Y742 HydrophobicContact CD-CD2 4.4Å; K701-Y742 HydrophobicContact CD-CE2 4.25Å; P702-Y742 VanDerWaalsContact CD-OH 3.22Å; P702-Y742 WeakPolarHBondContact CD-OH 3.34Å; P702-Y742 HydrophobicContact CG-CE1 4.41Å; E703-Y742 PolarHBondContact OE2-OH 3.48Å; T739-Y742 HydrophobicContact CG2-CD2 4.17Å; T739-Y742 WeakPolarHBondContact O-CA 3.12Å; T739-Y742 PolarHBondContact O-N 3.35Å; P740-Y742 PolarHBondContact O-N 3.19Å; Y742-S761 PolarHBondContact O-OG 3.35Å; Y742-V764 HydrophobicContact CD1-CB 3.88Å; Y742-V764 HydrophobicContact CD1-CG1 3.38Å; Y742-V764 HydrophobicContact CE1-CB 4.46Å; Y742-V764 HydrophobicContact CE1-CG1 3.67Å; Y742-V764 HydrophobicContact CG-CG1 4.33Å; Y742-F774 HydrophobicContact CE1-CE1 4.1Å; Y742-F774 HydrophobicContact CE2-CE1 4.01Å; Y742-F774 HydrophobicContact CE2-CZ 4.41Å; Y742-F774 AromaticContact CZ-CE1 3.62Å
743	L	68.4	Low	59.5	Low	5 Å²	5	42 Å²	42	3%	0.026	21%	0.205	C	C	.	.			trans	-80	133.6	-174.2	-71.5	-174.8	0	0	0	113.6	V736 V737 T739 P740 V747 L748 W760 I786	V736-L743 HydrophobicContact CG1-CD1 4.45Å; V737-L743 WeakPolarHBondContact O-CD2 3.47Å; T739-L743 PolarHBondContact O-N 2.66Å; P740-L743 HydrophobicContact CB-CD1 4.3Å; P740-L743 HydrophobicContact CG-CD1 4.03Å; P740-L743 PolarHBondContact O-N 3.4Å; L743-V747 HydrophobicContact CD2-CG1 4.37Å; L743-L748 HydrophobicContact CD1-CD2 3.95Å; L743-W760 PolarHBondContact O-NE1 2.87Å; L743-I786 WeakPolarHBondContact O-CG2 3.27Å
744	A	72	Confident	60.6	Low	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.			trans	-73.8	146.6	173.3	0	0	0	0	0	112.1	E746 V747 L757 W760	A744-E746 VanDerWaalsContact C-N 3.25Å; A744-E746 VanDerWaalsContact CB-CD 3.5Å; A744-E746 HydrophobicContact CB-CG 4.31Å; A744-E746 WeakPolarHBondContact CB-OE1 3.37Å; A744-E746 WeakPolarHBondContact CB-OE2 3.31Å; A744-E746 PolarHBondContact O-N 2.98Å; A744-E746 VanDerWaalsContact O-N 3.14Å; A744-V747 HydrophobicContact CB-CG2 4.36Å; A744-V747 WeakPolarHBondContact O-CB 3.37Å; A744-V747 PolarHBondContact O-N 2.99Å; A744-L757 HydrophobicContact CB-CG 4.41Å; A744-W760 HydrophobicContact CB-CB 3.78Å; A744-W760 HydrophobicContact CB-CD2 4.22Å; A744-W760 HydrophobicContact CB-CG 3.73Å
745	P	76.8	Confident	62.5	Low	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-28.5	-173.5	-25.7	35.8	0	0	0	114.8	V747 R749 W760 I786 V815	P745-V747 VanDerWaalsContact C-N 3.27Å; P745-V747 PolarHBondContact O-N 3.29Å; P745-R749 WeakPolarHBondContact O-CB 3.24Å; P745-R749 WeakPolarHBondContact O-CD 3.27Å; P745-R749 WeakPolarHBondContact O-CG 3.49Å; P745-R749 PolarHBondContact O-N 3.33Å; P745-R749 VanDerWaalsContact O-N 3.17Å; P745-W760 HydrophobicContact CG-CE3 4.27Å; P745-W760 HydrophobicContact CG-CH2 3.49Å; P745-W760 VanDerWaalsContact CG-CH2 3.49Å; P745-W760 HydrophobicContact CG-CZ2 4Å; P745-W760 HydrophobicContact CG-CZ3 3.64Å; P745-I786 HydrophobicContact CB-CG2 4.23Å; P745-I786 HydrophobicContact CG-CG2 3.79Å; P745-I786 VanDerWaalsContact CG-O 3.27Å; P745-I786 WeakPolarHBondContact CG-O 3.31Å; P745-V815 HydrophobicContact CB-CG1 4.14Å; P745-V815 HydrophobicContact CG-CG1 4.28Å
746	E	73.9	Confident	64.6	Low	8 Å²	8	31.5 Å²	31.5	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-27.4	175.2	59.4	-93.1	-149.8	0	0	113.7	A744 S750 K751 M817 R820	A744-E746 VanDerWaalsContact C-N 3.25Å; A744-E746 VanDerWaalsContact CB-CD 3.5Å; A744-E746 HydrophobicContact CB-CG 4.31Å; A744-E746 WeakPolarHBondContact CB-OE1 3.37Å; A744-E746 WeakPolarHBondContact CB-OE2 3.31Å; A744-E746 PolarHBondContact O-N 2.98Å; A744-E746 VanDerWaalsContact O-N 3.14Å; E746-S750 PolarHBondContact O-N 2.87Å; E746-K751 PolarHBondContact O-N 3.41Å; E746-M817 HydrophobicContact CB-CE 3.98Å; E746-M817 HydrophobicContact CB-CG 4.45Å; E746-M817 HydrophobicContact CB-SD 3.92Å; E746-M817 HydrophobicContact CG-CE 4.42Å; E746-M817 HydrophobicContact CG-CG 4.23Å; E746-M817 HydrophobicContact CG-SD 3.7Å; E746-M817 WeakPolarHBondContact OE1-CG 3.35Å; E746-R820 IonicContact OE1-CZ 2.75Å; E746-R820 IonicContact OE1-NH1 3.41Å; E746-R820 PolarHBondContact OE1-NH1 2.85Å; E746-R820 IonicContact OE1-NH2 2.71Å; E746-R820 PolarHBondContact OE1-NH2 2.62Å; E746-R820 IonicContact OE2-CZ 2.73Å; E746-R820 IonicContact OE2-NH1 3.72Å; E746-R820 IonicContact OE2-NH2 2.72Å; E746-R820 PolarHBondContact OE2-NH2 2.76Å
747	V	69.2	Low	66.3	Low	2 Å²	2	27.2 Å²	27.2	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-71.8	-48.9	178.7	-174.9	0	0	0	0	109.9	V736 L743 A744 P745 R749 S750 L757	V736-V747 HydrophobicContact CB-CG1 4.49Å; V736-V747 HydrophobicContact CG1-CG1 4.26Å; L743-V747 HydrophobicContact CD2-CG1 4.37Å; A744-V747 HydrophobicContact CB-CG2 4.36Å; A744-V747 WeakPolarHBondContact O-CB 3.37Å; A744-V747 PolarHBondContact O-N 2.99Å; P745-V747 VanDerWaalsContact C-N 3.27Å; P745-V747 PolarHBondContact O-N 3.29Å; V747-R749 VanDerWaalsContact C-N 3.3Å; V747-R749 PolarHBondContact O-N 3.05Å; V747-S750 PolarHBondContact O-N 3.05Å; V747-S750 VanDerWaalsContact O-N 3.11Å; V747-L757 HydrophobicContact CG2-CD1 3.61Å; V747-L757 HydrophobicContact CG2-CG 4.09Å
748	L	63.8	Low	68.2	Low	43 Å²	43	26.9 Å²	26.9	23%	0.225	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-44.3	175.4	-59	-178.6	0	0	0	111.1	L743 S750 N783 I786	L743-L748 HydrophobicContact CD1-CD2 3.95Å; L748-S750 PolarHBondContact O-N 3.14Å; L748-N783 HydrophobicContact CD1-CB 4.23Å; L748-I786 HydrophobicContact CD1-CB 4.01Å; L748-I786 HydrophobicContact CD1-CD1 4.35Å; L748-I786 HydrophobicContact CD1-CG2 3.64Å
749	R	63.2	Low	70.3	Confident	87 Å²	87	26.8 Å²	26.8	33%	0.328	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-1.7	-179.9	-69.5	168.9	168.4	148.2	-2.3	114.1	P745 V747 K751 Q787	P745-R749 WeakPolarHBondContact O-CB 3.24Å; P745-R749 WeakPolarHBondContact O-CD 3.27Å; P745-R749 WeakPolarHBondContact O-CG 3.49Å; P745-R749 PolarHBondContact O-N 3.33Å; P745-R749 VanDerWaalsContact O-N 3.17Å; V747-R749 VanDerWaalsContact C-N 3.3Å; V747-R749 PolarHBondContact O-N 3.05Å; R749-K751 HydrophobicContact CB-CB 4.3Å; R749-K751 HydrophobicContact CB-CD 4.31Å; R749-K751 HydrophobicContact CB-CG 4.2Å; R749-K751 PolarHBondContact O-N 3.42Å; R749-Q787 VanDerWaalsContact CZ-OE1 3.3Å; R749-Q787 PolarHBondContact NH1-O 2.98Å; R749-Q787 VanDerWaalsContact NH1-O 3.13Å; R749-Q787 VanDerWaalsContact NH2-CB 3.27Å; R749-Q787 PolarHBondContact NH2-O 3.05Å; R749-Q787 VanDerWaalsContact NH2-OE1 3.11Å
750	S	57.4	Low	72.2	Confident	55 Å²	55	25.8 Å²	25.8	39%	0.385	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	18.6	-173.9	-60.5	0	0	0	0	114.6	R734 E746 V747 L748 G752	R734-S750 WeakPolarHBondContact CG-O 3.24Å; E746-S750 PolarHBondContact O-N 2.87Å; V747-S750 PolarHBondContact O-N 3.05Å; V747-S750 VanDerWaalsContact O-N 3.11Å; L748-S750 PolarHBondContact O-N 3.14Å; S750-G752 PolarHBondContact O-N 2.92Å
751	K	54.7	Low	73.8	Confident	152 Å²	152	24.2 Å²	24.2	66%	0.661	12%	0.118	S	C	*	.	S	Bend	trans	-93.9	60.1	-171.7	-80.4	-175.6	179.5	179	0	111.9	E746 R749	E746-K751 PolarHBondContact O-N 3.41Å; R749-K751 HydrophobicContact CB-CB 4.3Å; R749-K751 HydrophobicContact CB-CD 4.31Å; R749-K751 HydrophobicContact CB-CG 4.2Å; R749-K751 PolarHBondContact O-N 3.42Å
752	G	57.3	Low	75.7	Confident	6 Å²	6	24 Å²	24	6%	0.062	12%	0.116	C	C	.	.			trans	60.8	79.4	163.1	0	0	0	0	0	114.7	F732 R733 S750	F732-G752 WeakPolarHBondContact CD1-O 3.43Å; R733-G752 WeakPolarHBondContact O-CA 3.19Å; R733-G752 PolarHBondContact O-N 3.19Å; S750-G752 PolarHBondContact O-N 2.92Å
753	Y	64.3	Low	77.1	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.008	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-73.5	153.4	175.5	62	-89	0	0	0	112.4	R725 I727 R733 S735 L757	R725-Y753 VanDerWaalsContact CD-OH 3.29Å; R725-Y753 WeakPolarHBondContact CD-OH 3.29Å; R725-Y753 PolarHBondContact NE-OH 2.9Å; I727-Y753 HydrophobicContact CD1-CD2 3.86Å; I727-Y753 HydrophobicContact CD1-CE2 3.69Å; R733-Y753 HydrophobicContact CB-CD1 4.36Å; R733-Y753 HydrophobicContact CB-CE1 3.68Å; R733-Y753 HydrophobicContact CB-CE2 4.38Å; R733-Y753 WeakPolarHBondContact O-CD1 3.08Å; R733-Y753 WeakPolarHBondContact O-CE1 3.43Å; R733-Y753 PolarHBondContact O-N 3.17Å; S735-Y753 VanDerWaalsContact O-CE1 3.27Å; S735-Y753 WeakPolarHBondContact O-CE1 3.27Å; S735-Y753 PolarHBondContact OG-OH 3.49Å; Y753-L757 HydrophobicContact CD2-CD1 3.72Å; Y753-L757 HydrophobicContact CE2-CD1 4.41Å; Y753-L757 HydrophobicContact CG-CD1 3.95Å
754	N	72.6	Confident	78.1	Confident	47 Å²	47	23.4 Å²	23.4	25%	0.251	11%	0.113	S	C	.	.			trans	-141.9	-167.5	177.5	68.7	72.4	0	0	0	109.7	S756 L757 M817	N754-S756 PolarHBondContact O-N 3.16Å; N754-S756 WeakPolarHBondContact OD1-CB 3.35Å; N754-S756 PolarHBondContact OD1-N 3.43Å; N754-S756 PolarHBondContact OD1-OG 3.39Å; N754-S756 VanDerWaalsContact OD1-OG 3.1Å; N754-L757 WeakPolarHBondContact O-CB 3.45Å; N754-L757 PolarHBondContact O-N 2.91Å; N754-M817 PolarHBondContact ND2-SD 2.99Å
755	R	86.2	Confident	79.2	Confident	65 Å²	65	23.4 Å²	23.4	25%	0.245	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-29.9	178.8	-55	-174.2	-169.6	156.7	2.3	114.5	H691 N694 V696 E729 L757 D758	H691-R755 PolarHBondContact CE1-O 3.34Å; H691-R755 PolarHBondContact O-NE 3.14Å; H691-R755 VanDerWaalsContact O-NE 3.1Å; H691-R755 PolarHBondContact O-NH2 3.32Å; N694-R755 PolarHBondContact OD1-NH2 3.31Å; V696-R755 HydrophobicContact CG2-CB 4.26Å; V696-R755 HydrophobicContact CG2-CG 3.86Å; E729-R755 VanDerWaalsContact CG-NH2 3.28Å; E729-R755 IonicContact OE1-CZ 2.72Å; E729-R755 IonicContact OE1-NH1 3.71Å; E729-R755 PolarHBondContact OE1-NH1 2.94Å; E729-R755 IonicContact OE1-NH2 3.15Å; E729-R755 PolarHBondContact OE1-NH2 2.81Å; R755-L757 PolarHBondContact O-N 2.88Å; R755-L757 VanDerWaalsContact O-N 3.14Å; R755-D758 PolarHBondContact O-N 2.88Å
756	S	87.9	Confident	80.2	Confident	14 Å²	14	23.4 Å²	23.4	10%	0.098	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-16	177.8	65.9	0	0	0	0	114.9	N754 M759 W760 M817 R820	N754-S756 PolarHBondContact O-N 3.16Å; N754-S756 WeakPolarHBondContact OD1-CB 3.35Å; N754-S756 PolarHBondContact OD1-N 3.43Å; N754-S756 PolarHBondContact OD1-OG 3.39Å; N754-S756 VanDerWaalsContact OD1-OG 3.1Å; S756-M759 PolarHBondContact O-N 3.12Å; S756-W760 PolarHBondContact O-N 3.05Å; S756-M817 WeakPolarHBondContact OG-CG 3.45Å; S756-R820 WeakPolarHBondContact O-CD 3.43Å; S756-R820 PolarHBondContact O-NH1 3.25Å
757	L	87.1	Confident	81	Confident	2 Å²	2	23 Å²	23	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-57.7	-52.2	175.7	-175.6	169.1	0	0	0	110.3	A744 V747 Y753 N754 R755 M759 W760 S761	A744-L757 HydrophobicContact CB-CG 4.41Å; V747-L757 HydrophobicContact CG2-CD1 3.61Å; V747-L757 HydrophobicContact CG2-CG 4.09Å; Y753-L757 HydrophobicContact CD2-CD1 3.72Å; Y753-L757 HydrophobicContact CE2-CD1 4.41Å; Y753-L757 HydrophobicContact CG-CD1 3.95Å; N754-L757 WeakPolarHBondContact O-CB 3.45Å; N754-L757 PolarHBondContact O-N 2.91Å; R755-L757 PolarHBondContact O-N 2.88Å; R755-L757 VanDerWaalsContact O-N 3.14Å; L757-M759 PolarHBondContact O-N 3.05Å; L757-W760 WeakPolarHBondContact O-CB 3.46Å; L757-W760 PolarHBondContact O-N 3.12Å; L757-S761 PolarHBondContact O-N 3.13Å
758	D	91.3	Very high	81.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-33.3	-177.2	-58.1	-27.4	0	0	0	111.3	L687 H691 V696 H697 C698 R755 W760 S761 V762	L687-D758 HydrophobicContact CD1-CB 4.34Å; L687-D758 HydrophobicContact CD2-CB 3.84Å; H691-D758 IonicContact CD2-OD2 2.86Å; H691-D758 IonicContact CE1-OD2 3.68Å; H691-D758 IonicContact NE2-OD2 3.98Å; H691-D758 PolarHBondContact NE2-OD2 3.46Å; V696-D758 WeakPolarHBondContact CA-OD2 3.42Å; V696-D758 VanDerWaalsContact CG1-OD2 3.3Å; V696-D758 WeakPolarHBondContact CG1-OD2 3.47Å; H697-D758 PolarHBondContact N-OD1 3Å; H697-D758 VanDerWaalsContact N-OD1 3.15Å; H697-D758 PolarHBondContact N-OD2 3.43Å; C698-D758 PolarHBondContact N-OD1 3.06Å; R755-D758 PolarHBondContact O-N 2.88Å; D758-W760 PolarHBondContact O-N 3.37Å; D758-S761 CarbonylContact O-C 3.58Å; D758-S761 WeakPolarHBondContact O-CB 3.27Å; D758-S761 PolarHBondContact O-N 2.87Å; D758-S761 VanDerWaalsContact O-N 3.14Å; D758-V762 WeakPolarHBondContact O-CG2 3.22Å; D758-V762 PolarHBondContact O-N 2.85Å
759	M	95.5	Very high	83.2	Confident	2 Å²	2	20.9 Å²	20.9	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-65.3	-34.6	177.4	-57.3	-55.8	-56.1	0	0	113.1	L684 S756 L757 S761 V762 G763 L812 R820 Y821 V823 S826	L684-M759 HydrophobicContact CD2-CE 3.68Å; L684-M759 HydrophobicContact CD2-SD 4.34Å; S756-M759 PolarHBondContact O-N 3.12Å; L757-M759 PolarHBondContact O-N 3.05Å; M759-S761 VanDerWaalsContact C-N 3.34Å; M759-V762 PolarHBondContact O-N 3.14Å; M759-G763 PolarHBondContact O-N 3.4Å; M759-G763 VanDerWaalsContact O-N 3.14Å; M759-L812 HydrophobicContact CB-CD2 4.14Å; M759-L812 HydrophobicContact CE-CD2 3.61Å; M759-R820 HydrophobicContact CB-CG 4.47Å; M759-Y821 WeakPolarHBondContact CG-O 3.37Å; M759-V823 HydrophobicContact CE-CG2 4.42Å; M759-V823 HydrophobicContact SD-CB 4.35Å; M759-V823 HydrophobicContact SD-CG2 3.5Å; M759-V823 WeakPolarHBondContact SD-CG2 3.4Å; M759-S826 WeakPolarHBondContact CE-OG 3.37Å
760	W	93.3	Very high	84.6	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-43.8	171.6	174	-81.9	0	0	0	110.4	L743 A744 P745 S756 L757 D758 V762 G763 V764 F776 I786 A789 L813	L743-W760 PolarHBondContact O-NE1 2.87Å; A744-W760 HydrophobicContact CB-CB 3.78Å; A744-W760 HydrophobicContact CB-CD2 4.22Å; A744-W760 HydrophobicContact CB-CG 3.73Å; P745-W760 HydrophobicContact CG-CE3 4.27Å; P745-W760 HydrophobicContact CG-CH2 3.49Å; P745-W760 VanDerWaalsContact CG-CH2 3.49Å; P745-W760 HydrophobicContact CG-CZ2 4Å; P745-W760 HydrophobicContact CG-CZ3 3.64Å; S756-W760 PolarHBondContact O-N 3.05Å; L757-W760 WeakPolarHBondContact O-CB 3.46Å; L757-W760 PolarHBondContact O-N 3.12Å; D758-W760 PolarHBondContact O-N 3.37Å; W760-V762 VanDerWaalsContact C-N 3.32Å; W760-V762 PolarHBondContact O-N 3.2Å; W760-G763 WeakPolarHBondContact O-CA 3.48Å; W760-G763 PolarHBondContact O-N 2.94Å; W760-V764 PolarHBondContact O-N 2.77Å; W760-F776 HydrophobicContact CH2-CZ 4.11Å; W760-F776 AromaticContact CZ2-CE2 3.9Å; W760-F776 HydrophobicContact CZ2-CE2 3.9Å; W760-F776 AromaticContact CZ2-CZ 3.55Å; W760-F776 HydrophobicContact CZ2-CZ 3.55Å; W760-I786 HydrophobicContact CZ2-CG2 3.98Å; W760-A789 HydrophobicContact CH2-CB 4.37Å; W760-L813 HydrophobicContact CD2-CD2 3.82Å; W760-L813 HydrophobicContact CE3-CB 4.38Å; W760-L813 HydrophobicContact CE3-CD2 4.1Å; W760-L813 HydrophobicContact CG-CD2 4.18Å; W760-L813 HydrophobicContact CZ2-CD2 4.42Å; W760-L813 HydrophobicContact CZ3-CB 4.21Å; W760-L813 VanDerWaalsContact CZ3-O 3.22Å; W760-L813 WeakPolarHBondContact CZ3-O 3.37Å; W760-L813 WeakPolarHBondContact O-CD2 3.48Å
761	S	91.5	Very high	85.8	Confident	4 Å²	4	14.6 Å²	14.6	3%	0.028	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-35	176.8	-53.5	0	0	0	0	112.5	L700 Y742 L757 D758 M759 V764 I765	L700-S761 WeakPolarHBondContact O-CB 3.3Å; Y742-S761 PolarHBondContact O-OG 3.35Å; L757-S761 PolarHBondContact O-N 3.13Å; D758-S761 CarbonylContact O-C 3.58Å; D758-S761 WeakPolarHBondContact O-CB 3.27Å; D758-S761 PolarHBondContact O-N 2.87Å; D758-S761 VanDerWaalsContact O-N 3.14Å; M759-S761 VanDerWaalsContact C-N 3.34Å; S761-V764 PolarHBondContact O-N 3.46Å; S761-I765 VanDerWaalsContact O-CG1 3.27Å; S761-I765 WeakPolarHBondContact O-CG1 3.48Å; S761-I765 PolarHBondContact O-N 3.05Å
762	V	97.3	Very high	86.8	Confident	2 Å²	2	7.6 Å²	7.6	1%	0.012	4%	0.041	C	C	.	.	H	α-helix	trans	-60.2	-43.3	169.1	176	0	0	0	0	111.3	V680 I683 L684 L687 L700 D758 M759 W760 V764 I765 I766 L812	V680-V762 HydrophobicContact CG1-CG1 4.27Å; I683-V762 HydrophobicContact CG2-CG2 4.08Å; L684-V762 HydrophobicContact CD2-CG1 4.36Å; L687-V762 HydrophobicContact CD1-CG2 3.52Å; L700-V762 HydrophobicContact CD2-CG2 3.69Å; D758-V762 WeakPolarHBondContact O-CG2 3.22Å; D758-V762 PolarHBondContact O-N 2.85Å; M759-V762 PolarHBondContact O-N 3.14Å; W760-V762 VanDerWaalsContact C-N 3.32Å; W760-V762 PolarHBondContact O-N 3.2Å; V762-V764 VanDerWaalsContact C-N 3.34Å; V762-V764 PolarHBondContact O-N 2.97Å; V762-I765 PolarHBondContact O-N 3Å; V762-I766 HydrophobicContact CG1-CD1 3.94Å; V762-I766 HydrophobicContact CG1-CG1 4.4Å; V762-I766 WeakPolarHBondContact O-CG1 3.22Å; V762-I766 PolarHBondContact O-N 3.05Å; V762-L812 HydrophobicContact CG1-CD1 4.06Å
763	G	96.3	Very high	87.5	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.2	-42.9	175	0	0	0	0	0	113	M759 W760 Y767	M759-G763 PolarHBondContact O-N 3.4Å; M759-G763 VanDerWaalsContact O-N 3.14Å; W760-G763 WeakPolarHBondContact O-CA 3.48Å; W760-G763 PolarHBondContact O-N 2.94Å; G763-Y767 PolarHBondContact O-N 2.96Å
764	V	89.5	Confident	87.9	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67.8	-38.6	174.9	-177.3	0	0	0	0	111.5	Y742 W760 S761 V762 Y767 V768 P775 L813	Y742-V764 HydrophobicContact CD1-CB 3.88Å; Y742-V764 HydrophobicContact CD1-CG1 3.38Å; Y742-V764 HydrophobicContact CE1-CB 4.46Å; Y742-V764 HydrophobicContact CE1-CG1 3.67Å; Y742-V764 HydrophobicContact CG-CG1 4.33Å; W760-V764 PolarHBondContact O-N 2.77Å; S761-V764 PolarHBondContact O-N 3.46Å; V762-V764 VanDerWaalsContact C-N 3.34Å; V762-V764 PolarHBondContact O-N 2.97Å; V764-Y767 PolarHBondContact O-N 2.74Å; V764-V768 HydrophobicContact CG1-CG2 4.09Å; V764-V768 WeakPolarHBondContact O-CB 3.49Å; V764-V768 VanDerWaalsContact O-CG2 3.3Å; V764-V768 WeakPolarHBondContact O-CG2 3.45Å; V764-V768 PolarHBondContact O-N 2.88Å; V764-P775 HydrophobicContact CG1-CG 4.03Å; V764-P775 HydrophobicContact CG2-CG 4.3Å; V764-L813 HydrophobicContact CG2-CD2 3.8Å
765	I	93.9	Very high	87.8	Confident	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.4	-46	175.7	-73.6	164.7	0	0	0	111.2	M659 I683 L700 P702 V705 S761 V762 V768 S769	M659-I765 HydrophobicContact CE-CG2 3.86Å; M659-I765 HydrophobicContact SD-CG2 3.76Å; I683-I765 HydrophobicContact CD1-CG2 4.36Å; L700-I765 HydrophobicContact CD2-CD1 4.06Å; L700-I765 HydrophobicContact CG-CD1 3.77Å; P702-I765 HydrophobicContact CG-CG1 4.05Å; V705-I765 HydrophobicContact CG2-CD1 4.48Å; S761-I765 VanDerWaalsContact O-CG1 3.27Å; S761-I765 WeakPolarHBondContact O-CG1 3.48Å; S761-I765 PolarHBondContact O-N 3.05Å; V762-I765 PolarHBondContact O-N 3Å; I765-V768 PolarHBondContact O-N 2.86Å; I765-S769 VanDerWaalsContact O-CB 3.24Å; I765-S769 WeakPolarHBondContact O-CB 3.45Å; I765-S769 PolarHBondContact O-N 3.43Å; I765-S769 PolarHBondContact O-OG 3.48Å
766	I	97.2	Very high	87	Confident	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-60.5	-48.5	176	-61.7	158.9	0	0	0	109.6	V680 V762 V768 S769 L770 L808 I809 L812 W831	V680-I766 HydrophobicContact CG1-CD1 4.09Å; V680-I766 HydrophobicContact CG1-CG1 4.14Å; V680-I766 HydrophobicContact CG2-CG1 3.71Å; V762-I766 HydrophobicContact CG1-CD1 3.94Å; V762-I766 HydrophobicContact CG1-CG1 4.4Å; V762-I766 WeakPolarHBondContact O-CG1 3.22Å; V762-I766 PolarHBondContact O-N 3.05Å; I766-V768 PolarHBondContact O-N 3.35Å; I766-S769 PolarHBondContact O-N 3.4Å; I766-L770 HydrophobicContact CG2-CD1 3.75Å; I766-L770 HydrophobicContact CG2-CG 4.28Å; I766-L770 WeakPolarHBondContact O-CG 3.22Å; I766-L770 PolarHBondContact O-N 2.92Å; I766-L808 HydrophobicContact CD1-CD2 4.04Å; I766-L808 HydrophobicContact CD1-CG 4.34Å; I766-I809 HydrophobicContact CB-CG1 4.08Å; I766-I809 HydrophobicContact CG2-CD1 3.85Å; I766-I809 HydrophobicContact CG2-CG1 3.69Å; I766-L812 HydrophobicContact CD1-CD1 3.52Å; I766-W831 HydrophobicContact CD1-CZ3 4.38Å; I766-W831 HydrophobicContact CG1-CZ3 4.41Å; I766-W831 HydrophobicContact CG2-CH2 3.84Å; I766-W831 HydrophobicContact CG2-CZ3 4.18Å
767	Y	92.6	Very high	85.7	Confident	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-56.5	-52.4	179	-175.2	-75.9	0	0	0	111.9	G763 V764 S769 L770 S771 T773 F774 P775 M792 Y793 W798	G763-Y767 PolarHBondContact O-N 2.96Å; V764-Y767 PolarHBondContact O-N 2.74Å; Y767-S769 VanDerWaalsContact C-N 3.34Å; Y767-S769 PolarHBondContact O-N 2.74Å; Y767-L770 PolarHBondContact O-N 3Å; Y767-S771 WeakPolarHBondContact CE1-OG 3.33Å; Y767-S771 VanDerWaalsContact O-CB 3.3Å; Y767-S771 WeakPolarHBondContact O-CB 3.4Å; Y767-S771 PolarHBondContact O-N 3.08Å; Y767-S771 PolarHBondContact O-OG 2.97Å; Y767-T773 WeakPolarHBondContact CD1-O 3.33Å; Y767-T773 WeakPolarHBondContact CE1-O 3.47Å; Y767-F774 VanDerWaalsContact CE1-C 3.44Å; Y767-P775 HydrophobicContact CD1-CB 3.78Å; Y767-P775 HydrophobicContact CD1-CG 4.08Å; Y767-P775 HydrophobicContact CD2-CB 3.98Å; Y767-P775 VanDerWaalsContact CE1-CA 3.49Å; Y767-P775 HydrophobicContact CE1-CB 3.92Å; Y767-P775 HydrophobicContact CE2-CB 4.1Å; Y767-P775 HydrophobicContact CG-CB 3.84Å; Y767-P775 HydrophobicContact CG-CG 4.26Å; Y767-M792 PolarHBondContact OH-O 3.2Å; Y767-Y793 HydrophobicContact CD2-CD1 4.44Å; Y767-Y793 HydrophobicContact CD2-CE1 4.02Å; Y767-Y793 AromaticContact CE2-CD1 3.96Å; Y767-Y793 HydrophobicContact CE2-CD1 3.96Å; Y767-Y793 AromaticContact CE2-CE1 3.97Å; Y767-Y793 HydrophobicContact CE2-CE1 3.97Å; Y767-W798 HydrophobicContact CD1-CZ2 4.28Å; Y767-W798 AromaticContact CD2-CH2 3.85Å; Y767-W798 HydrophobicContact CD2-CH2 3.85Å; Y767-W798 AromaticContact CD2-CZ2 3.38Å; Y767-W798 HydrophobicContact CD2-CZ2 3.38Å; Y767-W798 HydrophobicContact CE1-CZ2 4.27Å; Y767-W798 AromaticContact CE2-CE2 3.81Å; Y767-W798 HydrophobicContact CE2-CH2 4.23Å; Y767-W798 AromaticContact CE2-CZ2 3.38Å; Y767-W798 HydrophobicContact CE2-CZ2 3.38Å; Y767-W798 AromaticContact CE2-NE1 3.94Å; Y767-W798 HydrophobicContact CG-CH2 4.3Å; Y767-W798 AromaticContact CG-CZ2 3.84Å; Y767-W798 HydrophobicContact CG-CZ2 3.84Å; Y767-W798 AromaticContact CZ-CZ2 3.83Å; Y767-W798 AromaticContact CZ-NE1 3.86Å
768	V	85.2	Confident	84.1	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.6	-40.5	-179	172.5	0	0	0	0	111.2	L400 I663 V764 I765 I766 G772 T773 F774	L400-V768 HydrophobicContact CD1-CG1 3.96Å; I663-V768 HydrophobicContact CD1-CG1 4.49Å; V764-V768 HydrophobicContact CG1-CG2 4.09Å; V764-V768 WeakPolarHBondContact O-CB 3.49Å; V764-V768 VanDerWaalsContact O-CG2 3.3Å; V764-V768 WeakPolarHBondContact O-CG2 3.45Å; V764-V768 PolarHBondContact O-N 2.88Å; I765-V768 PolarHBondContact O-N 2.86Å; I766-V768 PolarHBondContact O-N 3.35Å; V768-G772 PolarHBondContact O-N 3.06Å; V768-T773 WeakPolarHBondContact CA-O 2.96Å; V768-T773 WeakPolarHBondContact CG2-O 3.4Å; V768-F774 HydrophobicContact CG2-CD1 3.93Å; V768-F774 HydrophobicContact CG2-CE1 4.04Å; V768-F774 HydrophobicContact CG2-CG 4.43Å
769	S	92.1	Very high	82	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.6	-46.8	179.3	-59.1	0	0	0	0	112.2	M659 R670 L671 I765 I766 Y767	M659-S769 VanDerWaalsContact CE-OG 3.27Å; M659-S769 WeakPolarHBondContact CE-OG 3.27Å; R670-S769 CarbonylContact C-O 3.49Å; R670-S769 WeakPolarHBondContact CA-O 3.37Å; L671-S769 PolarHBondContact N-O 3.41Å; I765-S769 VanDerWaalsContact O-CB 3.24Å; I765-S769 WeakPolarHBondContact O-CB 3.45Å; I765-S769 PolarHBondContact O-N 3.43Å; I765-S769 PolarHBondContact O-OG 3.48Å; I766-S769 PolarHBondContact O-N 3.4Å; Y767-S769 VanDerWaalsContact C-N 3.34Å; Y767-S769 PolarHBondContact O-N 2.74Å
770	L	93.4	Very high	80.2	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-79.2	-28.1	-175.7	-62.7	179.9	0	0	0	113.5	R670 E673 T676 I766 Y767 W798 I801 A805 W831	R670-L770 WeakPolarHBondContact CD-O 3.49Å; E673-L770 HydrophobicContact CB-CD2 4.38Å; E673-L770 HydrophobicContact CG-CD1 4.39Å; E673-L770 HydrophobicContact CG-CD2 3.68Å; T676-L770 HydrophobicContact CG2-CD2 3.92Å; T676-L770 HydrophobicContact CG2-CG 4.2Å; T676-L770 WeakPolarHBondContact OG1-CD2 3.33Å; I766-L770 HydrophobicContact CG2-CD1 3.75Å; I766-L770 HydrophobicContact CG2-CG 4.28Å; I766-L770 WeakPolarHBondContact O-CG 3.22Å; I766-L770 PolarHBondContact O-N 2.92Å; Y767-L770 PolarHBondContact O-N 3Å; L770-W798 HydrophobicContact CB-CH2 4.15Å; L770-W798 HydrophobicContact CD1-CH2 4.46Å; L770-W798 HydrophobicContact CD1-CZ3 4.36Å; L770-I801 HydrophobicContact CB-CD1 3.86Å; L770-I801 HydrophobicContact CD1-CG2 4.08Å; L770-A805 HydrophobicContact CD1-CB 3.87Å; L770-W831 HydrophobicContact CD1-CH2 4.44Å; L770-W831 HydrophobicContact CD1-CZ2 4.02Å
771	S	83.4	Confident	78.9	Confident	8 Å²	8	24.9 Å²	24.9	6%	0.056	13%	0.129	C	C	.	.	H	α-helix	trans	-100.3	-34	-174.1	65.4	0	0	0	0	115.6	Y767 T773	Y767-S771 WeakPolarHBondContact CE1-OG 3.33Å; Y767-S771 VanDerWaalsContact O-CB 3.3Å; Y767-S771 WeakPolarHBondContact O-CB 3.4Å; Y767-S771 PolarHBondContact O-N 3.08Å; Y767-S771 PolarHBondContact O-OG 2.97Å; S771-T773 VanDerWaalsContact C-N 3.27Å; S771-T773 PolarHBondContact OG-N 2.88Å; S771-T773 PolarHBondContact OG-O 3.47Å; S771-T773 VanDerWaalsContact OG-O 3.13Å; S771-T773 PolarHBondContact OG-OG1 3.23Å
772	G	75.4	Confident	77.7	Confident	6 Å²	6	26.5 Å²	26.5	6%	0.062	14%	0.137	C	C	.	.	S	Bend	trans	71.7	19	-164.1	0	0	0	0	0	113.9	L400 S669 V768	L400-G772 WeakPolarHBondContact CB-O 2.99Å; L400-G772 PolarHBondContact N-O 2.99Å; S669-G772 WeakPolarHBondContact O-CA 3.16Å; V768-G772 PolarHBondContact O-N 3.06Å
773	T	71.5	Confident	76.1	Confident	16 Å²	16	29.7 Å²	29.7	10%	0.098	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-135.8	162.8	176.6	71.3	0	0	0	0	111.1	N397 I398 Y767 V768 S771	N397-T773 HydrophobicContact CB-CG2 4.1Å; I398-T773 WeakPolarHBondContact O-CA 3.14Å; I398-T773 WeakPolarHBondContact O-CB 3.21Å; I398-T773 WeakPolarHBondContact O-CG2 3.48Å; Y767-T773 WeakPolarHBondContact CD1-O 3.33Å; Y767-T773 WeakPolarHBondContact CE1-O 3.47Å; V768-T773 WeakPolarHBondContact CA-O 2.96Å; V768-T773 WeakPolarHBondContact CG2-O 3.4Å; S771-T773 VanDerWaalsContact C-N 3.27Å; S771-T773 PolarHBondContact OG-N 2.88Å; S771-T773 PolarHBondContact OG-O 3.47Å; S771-T773 VanDerWaalsContact OG-O 3.13Å; S771-T773 PolarHBondContact OG-OG1 3.23Å
774	F	73.1	Confident	74.9	Confident	16 Å²	16	33.7 Å²	33.7	7%	0.07	18%	0.176	C	C	.	.			trans	-83.3	149.3	169.7	-79.9	-84	0	0	0	110.8	L178 L400 V403 A741 Y742 Y767 V768 F776	L178-F774 HydrophobicContact CD1-CD2 4.32Å; L178-F774 HydrophobicContact CD1-CE2 4.14Å; L178-F774 HydrophobicContact CD1-CZ 4.45Å; L400-F774 HydrophobicContact CD1-CE2 4.04Å; V403-F774 HydrophobicContact CG1-CE2 4.38Å; V403-F774 HydrophobicContact CG2-CE2 4.12Å; A741-F774 HydrophobicContact CB-CD1 3.72Å; A741-F774 HydrophobicContact CB-CE1 3.63Å; A741-F774 HydrophobicContact CB-CZ 4.47Å; Y742-F774 HydrophobicContact CE1-CE1 4.1Å; Y742-F774 HydrophobicContact CE2-CE1 4.01Å; Y742-F774 HydrophobicContact CE2-CZ 4.41Å; Y742-F774 AromaticContact CZ-CE1 3.62Å; Y767-F774 VanDerWaalsContact CE1-C 3.44Å; V768-F774 HydrophobicContact CG2-CD1 3.93Å; V768-F774 HydrophobicContact CG2-CE1 4.04Å; V768-F774 HydrophobicContact CG2-CG 4.43Å; F774-F776 VanDerWaalsContact C-N 3.28Å; F774-F776 PolarHBondContact O-N 2.69Å
775	P	70.7	Confident	73.8	Confident	9 Å²	9	34.7 Å²	34.7	6%	0.058	18%	0.18	C	C	.	.	S	Bend	trans	-73	-20.3	178.2	26.7	-31.4	0	0	0	113.2	V764 Y767 F791	V764-P775 HydrophobicContact CG1-CG 4.03Å; V764-P775 HydrophobicContact CG2-CG 4.3Å; Y767-P775 HydrophobicContact CD1-CB 3.78Å; Y767-P775 HydrophobicContact CD1-CG 4.08Å; Y767-P775 HydrophobicContact CD2-CB 3.98Å; Y767-P775 VanDerWaalsContact CE1-CA 3.49Å; Y767-P775 HydrophobicContact CE1-CB 3.92Å; Y767-P775 HydrophobicContact CE2-CB 4.1Å; Y767-P775 HydrophobicContact CG-CB 3.84Å; Y767-P775 HydrophobicContact CG-CG 4.26Å; P775-F791 HydrophobicContact CB-CB 3.84Å; P775-F791 HydrophobicContact CB-CG 4.36Å; P775-F791 WeakPolarHBondContact O-CA 3.44Å; P775-F791 WeakPolarHBondContact O-CB 3.47Å
776	F	69.5	Low	72.6	Confident	7 Å²	7	34.8 Å²	34.8	3%	0.031	18%	0.181	C	C	.	.	S	Bend	trans	-115.6	143.8	-179.5	-50.9	-64.6	0	0	0	110.6	W760 F774 I782 Q785 I786 F791	W760-F776 HydrophobicContact CH2-CZ 4.11Å; W760-F776 AromaticContact CZ2-CE2 3.9Å; W760-F776 HydrophobicContact CZ2-CE2 3.9Å; W760-F776 AromaticContact CZ2-CZ 3.55Å; W760-F776 HydrophobicContact CZ2-CZ 3.55Å; F774-F776 VanDerWaalsContact C-N 3.28Å; F774-F776 PolarHBondContact O-N 2.69Å; F776-I782 HydrophobicContact CB-CD1 4.32Å; F776-I782 HydrophobicContact CB-CG1 3.91Å; F776-Q785 HydrophobicContact CD1-CB 3.94Å; F776-I786 HydrophobicContact CD1-CG1 4.17Å; F776-I786 HydrophobicContact CD2-CD1 4.23Å; F776-I786 HydrophobicContact CD2-CG1 3.64Å; F776-I786 HydrophobicContact CE1-CG1 4.21Å; F776-I786 HydrophobicContact CE2-CG1 3.72Å; F776-I786 HydrophobicContact CG-CG1 3.9Å; F776-I786 HydrophobicContact CZ-CG1 4.01Å; F776-F791 HydrophobicContact CD1-CB 4.24Å; F776-F791 HydrophobicContact CE1-CB 3.95Å; F776-F791 AromaticContact CE1-CD1 3.95Å; F776-F791 HydrophobicContact CE1-CD1 3.95Å; F776-F791 HydrophobicContact CE1-CG 4.43Å; F776-F791 HydrophobicContact CZ-CD1 4.2Å
777	N	61	Low	71.4	Confident	27 Å²	27	37.3 Å²	37.3	14%	0.144	19%	0.192	C	C	.	.			trans	-84.3	148.3	180	-166.6	8.1	0	0	0	111.3	D779 E780	N777-D779 PolarHBondContact OD1-N 3.38Å; N777-D779 VanDerWaalsContact OD1-N 3.17Å; N777-E780 PolarHBondContact ND2-OE1 3.49Å
778	E	51.8	Low	70.5	Confident	84 Å²	84	42.8 Å²	42.8	39%	0.393	22%	0.222	S	C	.	.	S	Bend	trans	-94.9	-22.3	174.9	-67.7	175.9	-122.4	0	0	112.6	L178 I398 E780	L178-E778 HydrophobicContact CD1-CG 4.48Å; L178-E778 WeakPolarHBondContact CD1-OE1 3.31Å; L178-E778 WeakPolarHBondContact CD2-OE1 3.45Å; L178-E778 WeakPolarHBondContact CD2-OE2 3.28Å; I398-E778 HydrophobicContact CD1-CB 3.77Å; I398-E778 HydrophobicContact CD1-CG 3.65Å; E778-E780 PolarHBondContact O-N 2.85Å
779	D	47	Very low	69.9	Low	137 Å²	137	44 Å²	44	73%	0.733	23%	0.232	S	C	*	.	S	Bend	trans	-78.2	-0.1	178.6	-63.6	-43.1	0	0	0	112.5	N777	N777-D779 PolarHBondContact OD1-N 3.38Å; N777-D779 VanDerWaalsContact OD1-N 3.17Å
780	E	57.8	Low	68.9	Low	112 Å²	112	46.6 Å²	46.6	52%	0.523	25%	0.253	S	S	.	.	S	Bend	trans	-127.1	173.2	178	-71.2	168.8	-113.2	0	0	110.5	N777 E778 I782 Q785	N777-E780 PolarHBondContact ND2-OE1 3.49Å; E778-E780 PolarHBondContact O-N 2.85Å; E780-I782 PolarHBondContact O-N 2.89Å; E780-Q785 PolarHBondContact OE1-NE2 2.88Å; E780-Q785 PolarHBondContact OE2-NE2 3.28Å
781	D	67.5	Low	68.2	Low	92 Å²	92	48.3 Å²	48.3	49%	0.492	26%	0.261	S	S	.	.			trans	-73.6	93.2	172.8	-159	-37.1	0	0	0	111.2	N783 D784 Q785	D781-N783 PolarHBondContact O-N 3.44Å; D781-N783 WeakPolarHBondContact OD1-CB 3.39Å; D781-N783 PolarHBondContact OD1-N 2.72Å; D781-N783 PolarHBondContact OD1-ND2 2.69Å; D781-D784 PolarHBondContact O-N 2.66Å; D781-Q785 PolarHBondContact O-N 3.5Å; D781-Q785 VanDerWaalsContact O-N 3.08Å
782	I	64.9	Low	67.8	Low	38 Å²	38	53.3 Å²	53.3	20%	0.195	29%	0.285	C	S	.	.	H	α-helix	trans	-49.5	-28.8	174.4	-165.9	172.1	0	0	0	113.4	F776 E780 I786	F776-I782 HydrophobicContact CB-CD1 4.32Å; F776-I782 HydrophobicContact CB-CG1 3.91Å; E780-I782 PolarHBondContact O-N 2.89Å; I782-I786 HydrophobicContact CG1-CD1 3.94Å; I782-I786 HydrophobicContact CG1-CG1 4.41Å; I782-I786 WeakPolarHBondContact O-CB 3.4Å; I782-I786 WeakPolarHBondContact O-CD1 3.23Å; I782-I786 VanDerWaalsContact O-CG1 3.22Å; I782-I786 WeakPolarHBondContact O-CG1 3.45Å; I782-I786 PolarHBondContact O-N 2.69Å
783	N	65.1	Low	68.1	Low	69 Å²	69	55.8 Å²	55.8	37%	0.369	29%	0.293	S	S	.	.	H	α-helix	trans	-69.2	-41.4	177.5	-54.6	-85	0	0	0	110.6	L748 D781 Q787	L748-N783 HydrophobicContact CD1-CB 4.23Å; D781-N783 PolarHBondContact O-N 3.44Å; D781-N783 WeakPolarHBondContact OD1-CB 3.39Å; D781-N783 PolarHBondContact OD1-N 2.72Å; D781-N783 PolarHBondContact OD1-ND2 2.69Å; N783-Q787 WeakPolarHBondContact O-CB 3.28Å; N783-Q787 WeakPolarHBondContact O-CG 2.98Å; N783-Q787 PolarHBondContact O-N 2.73Å
784	D	70.2	Confident	68.3	Low	85 Å²	85	55.3 Å²	55.3	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-74.1	-35.8	178.1	-80.1	-7.3	0	0	0	112	D781 Q787 N788	D781-D784 PolarHBondContact O-N 2.66Å; D784-Q787 PolarHBondContact O-N 3.18Å; D784-Q787 PolarHBondContact OD1-NE2 3.29Å; D784-N788 WeakPolarHBondContact O-CB 3.14Å; D784-N788 PolarHBondContact O-N 3.38Å; D784-N788 PolarHBondContact O-ND2 3.42Å
785	Q	65.9	Low	68.4	Low	21 Å²	21	58.8 Å²	58.8	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-50.2	170.4	-68.1	-164.8	-10.9	0	0	111.9	F776 E780 D781 Q787 N788 A789 A790	F776-Q785 HydrophobicContact CD1-CB 3.94Å; E780-Q785 PolarHBondContact OE1-NE2 2.88Å; E780-Q785 PolarHBondContact OE2-NE2 3.28Å; D781-Q785 PolarHBondContact O-N 3.5Å; D781-Q785 VanDerWaalsContact O-N 3.08Å; Q785-Q787 PolarHBondContact O-N 2.75Å; Q785-N788 PolarHBondContact O-N 3.39Å; Q785-A789 CarbonylContact O-C 3.37Å; Q785-A789 WeakPolarHBondContact O-CA 3.35Å; Q785-A789 PolarHBondContact O-N 3.34Å; Q785-A790 PolarHBondContact O-N 3.28Å
786	I	70.4	Confident	68.7	Low	2 Å²	2	63.9 Å²	63.9	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-46.8	174.7	-72.3	168.7	0	0	0	110.5	P740 L743 P745 L748 W760 F776 I782 N788 A789	P740-I786 WeakPolarHBondContact O-CD1 3.36Å; L743-I786 WeakPolarHBondContact O-CG2 3.27Å; P745-I786 HydrophobicContact CB-CG2 4.23Å; P745-I786 HydrophobicContact CG-CG2 3.79Å; P745-I786 VanDerWaalsContact CG-O 3.27Å; P745-I786 WeakPolarHBondContact CG-O 3.31Å; L748-I786 HydrophobicContact CD1-CB 4.01Å; L748-I786 HydrophobicContact CD1-CD1 4.35Å; L748-I786 HydrophobicContact CD1-CG2 3.64Å; W760-I786 HydrophobicContact CZ2-CG2 3.98Å; F776-I786 HydrophobicContact CD1-CG1 4.17Å; F776-I786 HydrophobicContact CD2-CD1 4.23Å; F776-I786 HydrophobicContact CD2-CG1 3.64Å; F776-I786 HydrophobicContact CE1-CG1 4.21Å; F776-I786 HydrophobicContact CE2-CG1 3.72Å; F776-I786 HydrophobicContact CG-CG1 3.9Å; F776-I786 HydrophobicContact CZ-CG1 4.01Å; I782-I786 HydrophobicContact CG1-CD1 3.94Å; I782-I786 HydrophobicContact CG1-CG1 4.41Å; I782-I786 WeakPolarHBondContact O-CB 3.4Å; I782-I786 WeakPolarHBondContact O-CD1 3.23Å; I782-I786 VanDerWaalsContact O-CG1 3.22Å; I782-I786 WeakPolarHBondContact O-CG1 3.45Å; I782-I786 PolarHBondContact O-N 2.69Å; I786-N788 PolarHBondContact O-N 3.19Å; I786-A789 PolarHBondContact O-N 3.05Å; I786-A789 VanDerWaalsContact O-N 3.14Å
787	Q	70.3	Confident	69.4	Low	52 Å²	52	64.3 Å²	64.3	24%	0.243	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-29.8	-177.9	-88.4	-161.1	99.2	0	0	114.4	R749 N783 D784 Q785 V815	R749-Q787 VanDerWaalsContact CZ-OE1 3.3Å; R749-Q787 PolarHBondContact NH1-O 2.98Å; R749-Q787 VanDerWaalsContact NH1-O 3.13Å; R749-Q787 VanDerWaalsContact NH2-CB 3.27Å; R749-Q787 PolarHBondContact NH2-O 3.05Å; R749-Q787 VanDerWaalsContact NH2-OE1 3.11Å; N783-Q787 WeakPolarHBondContact O-CB 3.28Å; N783-Q787 WeakPolarHBondContact O-CG 2.98Å; N783-Q787 PolarHBondContact O-N 2.73Å; D784-Q787 PolarHBondContact O-N 3.18Å; D784-Q787 PolarHBondContact OD1-NE2 3.29Å; Q785-Q787 PolarHBondContact O-N 2.75Å; Q787-V815 WeakPolarHBondContact O-CG1 3.17Å
788	N	73.8	Confident	70.8	Confident	115 Å²	115	63.5 Å²	63.5	62%	0.615	34%	0.339	S	S	*	.	H	α-helix	trans	-101.4	-8.2	179.5	-64.6	-40.6	0	0	0	113.3	D784 Q785 I786 A790	D784-N788 WeakPolarHBondContact O-CB 3.14Å; D784-N788 PolarHBondContact O-N 3.38Å; D784-N788 PolarHBondContact O-ND2 3.42Å; Q785-N788 PolarHBondContact O-N 3.39Å; I786-N788 PolarHBondContact O-N 3.19Å; N788-A790 HydrophobicContact CB-CB 4.4Å; N788-A790 PolarHBondContact O-N 2.82Å
789	A	72.3	Confident	72.6	Confident	25 Å²	25	68.7 Å²	68.7	21%	0.207	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	40	-164.5	0	0	0	0	0	113.1	W760 Q785 I786 F791 V815	W760-A789 HydrophobicContact CH2-CB 4.37Å; Q785-A789 CarbonylContact O-C 3.37Å; Q785-A789 WeakPolarHBondContact O-CA 3.35Å; Q785-A789 PolarHBondContact O-N 3.34Å; I786-A789 PolarHBondContact O-N 3.05Å; I786-A789 VanDerWaalsContact O-N 3.14Å; A789-F791 VanDerWaalsContact C-N 3.32Å; A789-F791 HydrophobicContact CB-CD1 4.29Å; A789-F791 HydrophobicContact CB-CE1 3.99Å; A789-F791 WeakPolarHBondContact O-CD1 3.21Å; A789-F791 PolarHBondContact O-N 2.68Å; A789-V815 HydrophobicContact CB-CG2 3.41Å; A789-V815 VanDerWaalsContact CB-CG2 3.41Å
790	A	72.3	Confident	74.7	Confident	55 Å²	55	67.5 Å²	67.5	46%	0.455	35%	0.345	S	S	.	.			trans	-81.1	79.3	174.8	0	0	0	0	0	110.2	Q785 N788	Q785-A790 PolarHBondContact O-N 3.28Å; N788-A790 HydrophobicContact CB-CB 4.4Å; N788-A790 PolarHBondContact O-N 2.82Å
791	F	78.6	Confident	76.5	Confident	39 Å²	39	62.9 Å²	62.9	17%	0.171	32%	0.324	C	S	.	.			trans	-116.3	164.6	167.2	59.1	-95.1	0	0	0	109.7	P775 F776 A789 Y793 L813	P775-F791 HydrophobicContact CB-CB 3.84Å; P775-F791 HydrophobicContact CB-CG 4.36Å; P775-F791 WeakPolarHBondContact O-CA 3.44Å; P775-F791 WeakPolarHBondContact O-CB 3.47Å; F776-F791 HydrophobicContact CD1-CB 4.24Å; F776-F791 HydrophobicContact CE1-CB 3.95Å; F776-F791 AromaticContact CE1-CD1 3.95Å; F776-F791 HydrophobicContact CE1-CD1 3.95Å; F776-F791 HydrophobicContact CE1-CG 4.43Å; F776-F791 HydrophobicContact CZ-CD1 4.2Å; A789-F791 VanDerWaalsContact C-N 3.32Å; A789-F791 HydrophobicContact CB-CD1 4.29Å; A789-F791 HydrophobicContact CB-CE1 3.99Å; A789-F791 WeakPolarHBondContact O-CD1 3.21Å; A789-F791 PolarHBondContact O-N 2.68Å; F791-Y793 HydrophobicContact CD2-CE2 4.42Å; F791-Y793 HydrophobicContact CE2-CE1 4.48Å; F791-Y793 AromaticContact CE2-CE2 3.88Å; F791-Y793 HydrophobicContact CE2-CE2 3.88Å; F791-Y793 AromaticContact CE2-CZ 3.71Å; F791-Y793 WeakPolarHBondContact CE2-OH 3.41Å; F791-L813 HydrophobicContact CD1-CB 4.4Å; F791-L813 HydrophobicContact CD1-CD1 3.97Å; F791-L813 HydrophobicContact CD2-CD1 4.49Å; F791-L813 HydrophobicContact CE1-CB 3.45Å; F791-L813 VanDerWaalsContact CE1-CB 3.45Å; F791-L813 HydrophobicContact CE1-CD1 3.63Å; F791-L813 HydrophobicContact CE1-CG 4.19Å; F791-L813 HydrophobicContact CE2-CD1 4.21Å; F791-L813 HydrophobicContact CG-CD1 4.39Å; F791-L813 HydrophobicContact CZ-CB 3.76Å; F791-L813 HydrophobicContact CZ-CD1 3.78Å; F791-L813 HydrophobicContact CZ-CG 4.37Å
792	M	75.9	Confident	77.9	Confident	113 Å²	113	60.1 Å²	60.1	56%	0.557	31%	0.311	S	S	*	.			trans	-135.9	157.3	-177.4	63.7	168.6	66.4	0	0	112.8	Y767 P794	Y767-M792 PolarHBondContact OH-O 3.2Å; M792-P794 VanDerWaalsContact O-CD 3.27Å; M792-P794 WeakPolarHBondContact O-CD 3.32Å
793	Y	81.5	Confident	79.4	Confident	58 Å²	58	61 Å²	61	23%	0.227	33%	0.33	C	S	.	.			trans	-108.3	88.5	175.9	-62	-70	0	0	0	109.7	Y767 F791 W798 I806 I809 N810	Y767-Y793 HydrophobicContact CD2-CD1 4.44Å; Y767-Y793 HydrophobicContact CD2-CE1 4.02Å; Y767-Y793 AromaticContact CE2-CD1 3.96Å; Y767-Y793 HydrophobicContact CE2-CD1 3.96Å; Y767-Y793 AromaticContact CE2-CE1 3.97Å; Y767-Y793 HydrophobicContact CE2-CE1 3.97Å; F791-Y793 HydrophobicContact CD2-CE2 4.42Å; F791-Y793 HydrophobicContact CE2-CE1 4.48Å; F791-Y793 AromaticContact CE2-CE2 3.88Å; F791-Y793 HydrophobicContact CE2-CE2 3.88Å; F791-Y793 AromaticContact CE2-CZ 3.71Å; F791-Y793 WeakPolarHBondContact CE2-OH 3.41Å; Y793-W798 AromaticContact CD1-CD2 3.52Å; Y793-W798 HydrophobicContact CD1-CD2 3.52Å; Y793-W798 AromaticContact CD1-CE2 3.69Å; Y793-W798 AromaticContact CD1-CE3 3.65Å; Y793-W798 HydrophobicContact CD1-CE3 3.65Å; Y793-W798 AromaticContact CD1-CG 4Å; Y793-W798 HydrophobicContact CD1-CG 4Å; Y793-W798 HydrophobicContact CD1-CH2 4.19Å; Y793-W798 HydrophobicContact CD1-CZ2 4.03Å; Y793-W798 AromaticContact CD1-CZ3 3.99Å; Y793-W798 HydrophobicContact CD1-CZ3 3.99Å; Y793-W798 HydrophobicContact CE1-CD2 4.29Å; Y793-W798 HydrophobicContact CE1-CE3 4.07Å; Y793-W798 HydrophobicContact CE1-CH2 4.04Å; Y793-W798 HydrophobicContact CE1-CZ2 4.22Å; Y793-W798 AromaticContact CE1-CZ3 3.93Å; Y793-W798 HydrophobicContact CE1-CZ3 3.93Å; Y793-W798 HydrophobicContact CG-CD2 4.37Å; Y793-W798 HydrophobicContact CG-CG 4.44Å; Y793-I806 HydrophobicContact CD1-CG1 4.39Å; Y793-I806 HydrophobicContact CD2-CG2 4.19Å; Y793-I806 HydrophobicContact CE1-CG1 4.25Å; Y793-I806 HydrophobicContact CE1-CG2 4.43Å; Y793-I806 HydrophobicContact CE2-CG2 3.72Å; Y793-I806 PolarHBondContact OH-O 2.92Å; Y793-I809 HydrophobicContact CE1-CD1 4.32Å; Y793-I809 HydrophobicContact CE1-CG2 4.43Å; Y793-I809 WeakPolarHBondContact OH-CB 3.3Å; Y793-I809 VanDerWaalsContact OH-CG2 3.25Å; Y793-I809 WeakPolarHBondContact OH-CG2 3.4Å; Y793-N810 WeakPolarHBondContact CE2-OD1 3.48Å; Y793-N810 PolarHBondContact OH-OD1 3.04Å
794	P	75.5	Confident	81	Confident	6 Å²	6	62 Å²	62	4%	0.039	33%	0.332	C	S	.	.			trans	-61.6	139.9	179.7	26.4	-37.8	0	0	0	111.4	N397 M792 N796 W798	N397-P794 WeakPolarHBondContact OD1-CG 3.38Å; M792-P794 VanDerWaalsContact O-CD 3.27Å; M792-P794 WeakPolarHBondContact O-CD 3.32Å; P794-N796 CarbonylContact O-C 3.49Å; P794-N796 PolarHBondContact O-N 3.24Å; P794-W798 VanDerWaalsContact CD-CD1 3.44Å; P794-W798 WeakPolarHBondContact O-CB 3.24Å; P794-W798 VanDerWaalsContact O-CD1 3.31Å; P794-W798 PolarHBondContact O-N 3.01Å
795	P	73.9	Confident	82.3	Confident	89 Å²	89	57.9 Å²	57.9	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-53.4	-29.4	-173.7	-30.5	35.8	0	0	0	115.2	P797 W798 R799	P795-P797 CarbonylContact O-C 3.59Å; P795-W798 PolarHBondContact O-N 3.43Å; P795-R799 WeakPolarHBondContact O-CB 3.49Å; P795-R799 PolarHBondContact O-N 3.45Å
796	N	77.8	Confident	83.8	Confident	116 Å²	116	58.6 Å²	58.6	62%	0.62	32%	0.315	S	S	*	.	H	α-helix	trans	-109.7	122.6	166.2	-62.8	-38.8	0	0	0	108.6	P794	P794-N796 CarbonylContact O-C 3.49Å; P794-N796 PolarHBondContact O-N 3.24Å
797	P	84.9	Confident	85.1	Confident	16 Å²	16	61.9 Å²	61.9	10%	0.104	33%	0.332	C	S	.	.	H	α-helix	cis	-88.6	-2.7	1.8	34	-32.6	0	0	0	115.4	P795 R799 E800 I801	P795-P797 CarbonylContact O-C 3.59Å; P797-R799 VanDerWaalsContact C-N 3.27Å; P797-R799 PolarHBondContact O-N 3.42Å; P797-R799 VanDerWaalsContact O-N 3.09Å; P797-E800 WeakPolarHBondContact O-CB 3.46Å; P797-E800 PolarHBondContact O-N 3.01Å; P797-I801 HydrophobicContact CB-CD1 4.36Å; P797-I801 HydrophobicContact CG-CD1 4.13Å
798	W	89.8	Confident	86.4	Confident	10 Å²	10	59.5 Å²	59.5	4%	0.038	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-16.1	-162.2	-66.2	95.8	0	0	0	116.6	Y767 L770 Y793 P794 P795 E800 I801 I806 I809	Y767-W798 HydrophobicContact CD1-CZ2 4.28Å; Y767-W798 AromaticContact CD2-CH2 3.85Å; Y767-W798 HydrophobicContact CD2-CH2 3.85Å; Y767-W798 AromaticContact CD2-CZ2 3.38Å; Y767-W798 HydrophobicContact CD2-CZ2 3.38Å; Y767-W798 HydrophobicContact CE1-CZ2 4.27Å; Y767-W798 AromaticContact CE2-CE2 3.81Å; Y767-W798 HydrophobicContact CE2-CH2 4.23Å; Y767-W798 AromaticContact CE2-CZ2 3.38Å; Y767-W798 HydrophobicContact CE2-CZ2 3.38Å; Y767-W798 AromaticContact CE2-NE1 3.94Å; Y767-W798 HydrophobicContact CG-CH2 4.3Å; Y767-W798 AromaticContact CG-CZ2 3.84Å; Y767-W798 HydrophobicContact CG-CZ2 3.84Å; Y767-W798 AromaticContact CZ-CZ2 3.83Å; Y767-W798 AromaticContact CZ-NE1 3.86Å; L770-W798 HydrophobicContact CB-CH2 4.15Å; L770-W798 HydrophobicContact CD1-CH2 4.46Å; L770-W798 HydrophobicContact CD1-CZ3 4.36Å; Y793-W798 AromaticContact CD1-CD2 3.52Å; Y793-W798 HydrophobicContact CD1-CD2 3.52Å; Y793-W798 AromaticContact CD1-CE2 3.69Å; Y793-W798 AromaticContact CD1-CE3 3.65Å; Y793-W798 HydrophobicContact CD1-CE3 3.65Å; Y793-W798 AromaticContact CD1-CG 4Å; Y793-W798 HydrophobicContact CD1-CG 4Å; Y793-W798 HydrophobicContact CD1-CH2 4.19Å; Y793-W798 HydrophobicContact CD1-CZ2 4.03Å; Y793-W798 AromaticContact CD1-CZ3 3.99Å; Y793-W798 HydrophobicContact CD1-CZ3 3.99Å; Y793-W798 HydrophobicContact CE1-CD2 4.29Å; Y793-W798 HydrophobicContact CE1-CE3 4.07Å; Y793-W798 HydrophobicContact CE1-CH2 4.04Å; Y793-W798 HydrophobicContact CE1-CZ2 4.22Å; Y793-W798 AromaticContact CE1-CZ3 3.93Å; Y793-W798 HydrophobicContact CE1-CZ3 3.93Å; Y793-W798 HydrophobicContact CG-CD2 4.37Å; Y793-W798 HydrophobicContact CG-CG 4.44Å; P794-W798 VanDerWaalsContact CD-CD1 3.44Å; P794-W798 WeakPolarHBondContact O-CB 3.24Å; P794-W798 VanDerWaalsContact O-CD1 3.31Å; P794-W798 PolarHBondContact O-N 3.01Å; P795-W798 PolarHBondContact O-N 3.43Å; W798-E800 PolarHBondContact O-N 2.79Å; W798-I801 HydrophobicContact CD2-CD1 3.71Å; W798-I801 HydrophobicContact CE3-CB 3.9Å; W798-I801 HydrophobicContact CE3-CD1 3.51Å; W798-I801 HydrophobicContact CE3-CG1 4.28Å; W798-I801 HydrophobicContact CE3-CG2 3.7Å; W798-I801 HydrophobicContact CG-CD1 4.26Å; W798-I801 HydrophobicContact CH2-CD1 4.35Å; W798-I801 HydrophobicContact CZ3-CB 4.4Å; W798-I801 HydrophobicContact CZ3-CD1 3.86Å; W798-I801 HydrophobicContact CZ3-CG2 3.74Å; W798-I801 PolarHBondContact O-N 2.91Å; W798-I806 HydrophobicContact CE3-CD1 4.11Å; W798-I806 HydrophobicContact CE3-CG1 3.77Å; W798-I806 HydrophobicContact CZ3-CG1 4.01Å; W798-I809 HydrophobicContact CH2-CD1 3.43Å; W798-I809 VanDerWaalsContact CH2-CD1 3.43Å; W798-I809 HydrophobicContact CZ3-CD1 3.62Å
799	R	90	Very high	87.5	Confident	193 Å²	193	54 Å²	54	73%	0.728	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.8	168.3	-175.9	-174.4	61.6	161.9	0.8	113.2	P795 P797	P795-R799 WeakPolarHBondContact O-CB 3.49Å; P795-R799 PolarHBondContact O-N 3.45Å; P797-R799 VanDerWaalsContact C-N 3.27Å; P797-R799 PolarHBondContact O-N 3.42Å; P797-R799 VanDerWaalsContact O-N 3.09Å
800	E	91	Very high	88.6	Confident	111 Å²	111	55.3 Å²	55.3	52%	0.519	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.3	175.5	-58.5	178.1	179.2	0	0	113	R670 P797 W798	R670-E800 IonicContact CZ-OE2 2.67Å; R670-E800 IonicContact NH1-OE2 3.84Å; R670-E800 IonicContact NH2-OE2 3.98Å; R670-E800 PolarHBondContact NH2-OE2 2.67Å; P797-E800 WeakPolarHBondContact O-CB 3.46Å; P797-E800 PolarHBondContact O-N 3.01Å; W798-E800 PolarHBondContact O-N 2.79Å
801	I	94.8	Very high	89.8	Confident	16 Å²	16	54.2 Å²	54.2	8%	0.082	28%	0.281	C	S	.	.	S	Bend	trans	-103.7	141.1	-173.2	-66.4	167.9	0	0	0	109.5	E673 L770 P797 W798 A805	E673-I801 WeakPolarHBondContact OE1-CA 3.43Å; L770-I801 HydrophobicContact CB-CD1 3.86Å; L770-I801 HydrophobicContact CD1-CG2 4.08Å; P797-I801 HydrophobicContact CB-CD1 4.36Å; P797-I801 HydrophobicContact CG-CD1 4.13Å; W798-I801 HydrophobicContact CD2-CD1 3.71Å; W798-I801 HydrophobicContact CE3-CB 3.9Å; W798-I801 HydrophobicContact CE3-CD1 3.51Å; W798-I801 HydrophobicContact CE3-CG1 4.28Å; W798-I801 HydrophobicContact CE3-CG2 3.7Å; W798-I801 HydrophobicContact CG-CD1 4.26Å; W798-I801 HydrophobicContact CH2-CD1 4.35Å; W798-I801 HydrophobicContact CZ3-CB 4.4Å; W798-I801 HydrophobicContact CZ3-CD1 3.86Å; W798-I801 HydrophobicContact CZ3-CG2 3.74Å; W798-I801 PolarHBondContact O-N 2.91Å; I801-A805 HydrophobicContact CG2-CB 3.72Å
802	S	97.3	Very high	90.7	Very high	33 Å²	33	52.3 Å²	52.3	23%	0.231	27%	0.273	C	S	.	.			trans	-61.5	144.5	-177.3	70.8	0	0	0	0	113.1	E673 E804 A805 I806 W831	E673-S802 PolarHBondContact OE1-N 3.26Å; E673-S802 WeakPolarHBondContact OE2-CB 3.23Å; E673-S802 PolarHBondContact OE2-OG 3.33Å; S802-E804 PolarHBondContact O-N 3.41Å; S802-A805 WeakPolarHBondContact O-CB 3.4Å; S802-A805 PolarHBondContact O-N 2.95Å; S802-A805 VanDerWaalsContact O-N 3.15Å; S802-A805 WeakPolarHBondContact OG-CB 3.36Å; S802-A805 PolarHBondContact OG-N 3.36Å; S802-I806 PolarHBondContact O-N 2.85Å; S802-W831 PolarHBondContact OG-NE1 2.93Å
803	G	97.1	Very high	91.5	Very high	56 Å²	56	47 Å²	47	58%	0.577	25%	0.247	S	C	*	.	H	α-helix	trans	-60.9	-26.9	172.9	0	0	0	0	0	112.9	I806 D807	G803-I806 PolarHBondContact O-N 3.44Å; G803-D807 PolarHBondContact O-N 3.01Å
804	E	97.8	Very high	91.9	Very high	90 Å²	90	47 Å²	47	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-69.8	-38	175.4	-53.3	-176.3	137.7	0	0	112.4	S802 I806 D807 L808 H829 W831	S802-E804 PolarHBondContact O-N 3.41Å; E804-I806 VanDerWaalsContact C-N 3.32Å; E804-D807 PolarHBondContact O-N 3.25Å; E804-L808 PolarHBondContact O-N 3.49Å; E804-H829 PolarHBondContact O-CE1 2.95Å; E804-H829 VanDerWaalsContact O-CE1 3.24Å; E804-W831 HydrophobicContact CB-CB 3.85Å; E804-W831 HydrophobicContact CB-CG 4.23Å
805	A	97.8	Very high	92.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-45.9	172.6	0	0	0	0	0	110.5	L770 I801 S802 L808 I809 W831	L770-A805 HydrophobicContact CD1-CB 3.87Å; I801-A805 HydrophobicContact CG2-CB 3.72Å; S802-A805 WeakPolarHBondContact O-CB 3.4Å; S802-A805 PolarHBondContact O-N 2.95Å; S802-A805 VanDerWaalsContact O-N 3.15Å; S802-A805 WeakPolarHBondContact OG-CB 3.36Å; S802-A805 PolarHBondContact OG-N 3.36Å; A805-L808 PolarHBondContact O-N 3.45Å; A805-I809 WeakPolarHBondContact O-CD1 3.23Å; A805-I809 VanDerWaalsContact O-CG1 3.23Å; A805-I809 WeakPolarHBondContact O-CG1 3.43Å; A805-I809 PolarHBondContact O-N 2.84Å; A805-W831 HydrophobicContact CB-CD2 4.33Å; A805-W831 HydrophobicContact CB-CG 4.45Å; A805-W831 HydrophobicContact CB-CZ2 4.06Å
806	I	96.9	Very high	93	Very high	36 Å²	36	51.7 Å²	51.7	19%	0.185	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-42.7	178.7	-69.7	169.8	0	0	0	110.8	Y793 W798 S802 G803 E804 I809 N810	Y793-I806 HydrophobicContact CD1-CG1 4.39Å; Y793-I806 HydrophobicContact CD2-CG2 4.19Å; Y793-I806 HydrophobicContact CE1-CG1 4.25Å; Y793-I806 HydrophobicContact CE1-CG2 4.43Å; Y793-I806 HydrophobicContact CE2-CG2 3.72Å; Y793-I806 PolarHBondContact OH-O 2.92Å; W798-I806 HydrophobicContact CE3-CD1 4.11Å; W798-I806 HydrophobicContact CE3-CG1 3.77Å; W798-I806 HydrophobicContact CZ3-CG1 4.01Å; S802-I806 PolarHBondContact O-N 2.85Å; G803-I806 PolarHBondContact O-N 3.44Å; E804-I806 VanDerWaalsContact C-N 3.32Å; I806-I809 PolarHBondContact O-N 2.98Å; I806-N810 WeakPolarHBondContact O-CB 3.45Å; I806-N810 PolarHBondContact O-N 3.23Å; I806-N810 PolarHBondContact O-ND2 3.46Å; I806-N810 VanDerWaalsContact O-ND2 3.15Å
807	D	97.7	Very high	93.4	Very high	71 Å²	71	48.7 Å²	48.7	38%	0.38	25%	0.246	S	C	.	.	H	α-helix	trans	-64.6	-43.1	176.2	-170.5	65.3	0	0	0	112.5	G803 E804 I809 N810 N811 H829	G803-D807 PolarHBondContact O-N 3.01Å; E804-D807 PolarHBondContact O-N 3.25Å; D807-I809 PolarHBondContact O-N 3.09Å; D807-N810 PolarHBondContact O-N 3.03Å; D807-N811 VanDerWaalsContact CG-ND2 3.27Å; D807-N811 WeakPolarHBondContact O-CB 3.25Å; D807-N811 PolarHBondContact O-N 2.63Å; D807-N811 PolarHBondContact O-ND2 2.63Å; D807-N811 PolarHBondContact OD1-ND2 3.5Å; D807-N811 PolarHBondContact OD2-ND2 2.9Å; D807-H829 IonicContact OD2-NE2 2.72Å; D807-H829 PolarHBondContact OD2-NE2 2.7Å
808	L	98.2	Very high	93.5	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-43.6	175.9	-178	58.5	0	0	0	111.7	I766 E804 A805 N810 N811 L812 H829 W831	I766-L808 HydrophobicContact CD1-CD2 4.04Å; I766-L808 HydrophobicContact CD1-CG 4.34Å; E804-L808 PolarHBondContact O-N 3.49Å; A805-L808 PolarHBondContact O-N 3.45Å; L808-N810 PolarHBondContact O-N 3.32Å; L808-N811 PolarHBondContact O-N 2.96Å; L808-L812 HydrophobicContact CD1-CD1 3.98Å; L808-L812 HydrophobicContact CD1-CG 4.14Å; L808-L812 HydrophobicContact CD2-CD1 4.49Å; L808-L812 HydrophobicContact CG-CD1 3.84Å; L808-L812 HydrophobicContact CG-CG 4.41Å; L808-L812 WeakPolarHBondContact O-CB 3.4Å; L808-L812 VanDerWaalsContact O-CG 3.27Å; L808-L812 WeakPolarHBondContact O-CG 3.45Å; L808-L812 PolarHBondContact O-N 3.33Å; L808-H829 HydrophobicContact CD1-CB 4.02Å; L808-W831 HydrophobicContact CD2-CD2 4.42Å; L808-W831 HydrophobicContact CD2-CE3 3.5Å; L808-W831 VanDerWaalsContact CD2-CE3 3.5Å; L808-W831 HydrophobicContact CD2-CZ3 4.04Å
809	I	97.2	Very high	93.5	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-45.6	175.5	-64	161	0	0	0	110.3	I766 Y793 W798 A805 I806 D807 N811 L812 L813	I766-I809 HydrophobicContact CB-CG1 4.08Å; I766-I809 HydrophobicContact CG2-CD1 3.85Å; I766-I809 HydrophobicContact CG2-CG1 3.69Å; Y793-I809 HydrophobicContact CE1-CD1 4.32Å; Y793-I809 HydrophobicContact CE1-CG2 4.43Å; Y793-I809 WeakPolarHBondContact OH-CB 3.3Å; Y793-I809 VanDerWaalsContact OH-CG2 3.25Å; Y793-I809 WeakPolarHBondContact OH-CG2 3.4Å; W798-I809 HydrophobicContact CH2-CD1 3.43Å; W798-I809 VanDerWaalsContact CH2-CD1 3.43Å; W798-I809 HydrophobicContact CZ3-CD1 3.62Å; A805-I809 WeakPolarHBondContact O-CD1 3.23Å; A805-I809 VanDerWaalsContact O-CG1 3.23Å; A805-I809 WeakPolarHBondContact O-CG1 3.43Å; A805-I809 PolarHBondContact O-N 2.84Å; I806-I809 PolarHBondContact O-N 2.98Å; D807-I809 PolarHBondContact O-N 3.09Å; I809-N811 VanDerWaalsContact C-N 3.28Å; I809-N811 PolarHBondContact O-N 2.8Å; I809-L812 PolarHBondContact O-N 2.9Å; I809-L812 VanDerWaalsContact O-N 3.12Å; I809-L813 HydrophobicContact CG2-CD1 3.61Å; I809-L813 HydrophobicContact CG2-CG 4.04Å; I809-L813 WeakPolarHBondContact O-CB 3.46Å; I809-L813 PolarHBondContact O-N 3.08Å
810	N	95.5	Very high	93.7	Very high	53 Å²	53	57.7 Å²	57.7	28%	0.283	28%	0.282	S	S	.	.	H	α-helix	trans	-60.6	-35.9	177.6	-69.5	-23.6	0	0	0	112.6	Y793 I806 D807 L808 Q814	Y793-N810 WeakPolarHBondContact CE2-OD1 3.48Å; Y793-N810 PolarHBondContact OH-OD1 3.04Å; I806-N810 WeakPolarHBondContact O-CB 3.45Å; I806-N810 PolarHBondContact O-N 3.23Å; I806-N810 PolarHBondContact O-ND2 3.46Å; I806-N810 VanDerWaalsContact O-ND2 3.15Å; D807-N810 PolarHBondContact O-N 3.03Å; L808-N810 PolarHBondContact O-N 3.32Å; N810-Q814 WeakPolarHBondContact O-CG 3.32Å; N810-Q814 PolarHBondContact O-NE2 2.7Å
811	N	97	Very high	94	Very high	31 Å²	31	55.1 Å²	55.1	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-77.6	-22.4	176.7	-80.1	-68.9	0	0	0	113.7	D807 L808 I809 R820 Y821	D807-N811 VanDerWaalsContact CG-ND2 3.27Å; D807-N811 WeakPolarHBondContact O-CB 3.25Å; D807-N811 PolarHBondContact O-N 2.63Å; D807-N811 PolarHBondContact O-ND2 2.63Å; D807-N811 PolarHBondContact OD1-ND2 3.5Å; D807-N811 PolarHBondContact OD2-ND2 2.9Å; L808-N811 PolarHBondContact O-N 2.96Å; I809-N811 VanDerWaalsContact C-N 3.28Å; I809-N811 PolarHBondContact O-N 2.8Å; N811-R820 WeakPolarHBondContact O-CA 2.88Å; N811-Y821 HydrophobicContact CB-CD1 3.62Å; N811-Y821 HydrophobicContact CB-CD2 4.29Å; N811-Y821 HydrophobicContact CB-CE1 3.56Å; N811-Y821 HydrophobicContact CB-CE2 4.27Å; N811-Y821 HydrophobicContact CB-CG 3.99Å; N811-Y821 VanDerWaalsContact CG-CE1 3.4Å; N811-Y821 PolarHBondContact O-N 3.18Å; N811-Y821 VanDerWaalsContact O-N 3.13Å; N811-Y821 WeakPolarHBondContact OD1-CE1 3.35Å
812	L	96.2	Very high	94	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-88.3	-35.6	174.1	-71.1	171.1	0	0	0	113.4	M759 V762 I766 L808 I809 Q814 R820 S826	M759-L812 HydrophobicContact CB-CD2 4.14Å; M759-L812 HydrophobicContact CE-CD2 3.61Å; V762-L812 HydrophobicContact CG1-CD1 4.06Å; I766-L812 HydrophobicContact CD1-CD1 3.52Å; L808-L812 HydrophobicContact CD1-CD1 3.98Å; L808-L812 HydrophobicContact CD1-CG 4.14Å; L808-L812 HydrophobicContact CD2-CD1 4.49Å; L808-L812 HydrophobicContact CG-CD1 3.84Å; L808-L812 HydrophobicContact CG-CG 4.41Å; L808-L812 WeakPolarHBondContact O-CB 3.4Å; L808-L812 VanDerWaalsContact O-CG 3.27Å; L808-L812 WeakPolarHBondContact O-CG 3.45Å; L808-L812 PolarHBondContact O-N 3.33Å; I809-L812 PolarHBondContact O-N 2.9Å; I809-L812 VanDerWaalsContact O-N 3.12Å; L812-Q814 PolarHBondContact O-N 3.34Å; L812-Q814 VanDerWaalsContact O-N 3.16Å; L812-R820 WeakPolarHBondContact O-CD 3.47Å; L812-R820 WeakPolarHBondContact O-CG 3.39Å; L812-R820 PolarHBondContact O-NE 3.04Å; L812-S826 WeakPolarHBondContact CD2-OG 3.38Å
813	L	92.7	Very high	94	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	27%	0.271	C	S	.	.	S	Bend	trans	-87.6	33.4	179	-59.7	-175.2	0	0	0	112.9	W760 V764 F791 I809	W760-L813 HydrophobicContact CD2-CD2 3.82Å; W760-L813 HydrophobicContact CE3-CB 4.38Å; W760-L813 HydrophobicContact CE3-CD2 4.1Å; W760-L813 HydrophobicContact CG-CD2 4.18Å; W760-L813 HydrophobicContact CZ2-CD2 4.42Å; W760-L813 HydrophobicContact CZ3-CB 4.21Å; W760-L813 VanDerWaalsContact CZ3-O 3.22Å; W760-L813 WeakPolarHBondContact CZ3-O 3.37Å; W760-L813 WeakPolarHBondContact O-CD2 3.48Å; V764-L813 HydrophobicContact CG2-CD2 3.8Å; F791-L813 HydrophobicContact CD1-CB 4.4Å; F791-L813 HydrophobicContact CD1-CD1 3.97Å; F791-L813 HydrophobicContact CD2-CD1 4.49Å; F791-L813 HydrophobicContact CE1-CB 3.45Å; F791-L813 VanDerWaalsContact CE1-CB 3.45Å; F791-L813 HydrophobicContact CE1-CD1 3.63Å; F791-L813 HydrophobicContact CE1-CG 4.19Å; F791-L813 HydrophobicContact CE2-CD1 4.21Å; F791-L813 HydrophobicContact CG-CD1 4.39Å; F791-L813 HydrophobicContact CZ-CB 3.76Å; F791-L813 HydrophobicContact CZ-CD1 3.78Å; F791-L813 HydrophobicContact CZ-CG 4.37Å; I809-L813 HydrophobicContact CG2-CD1 3.61Å; I809-L813 HydrophobicContact CG2-CG 4.04Å; I809-L813 WeakPolarHBondContact O-CB 3.46Å; I809-L813 PolarHBondContact O-N 3.08Å
814	Q	91.6	Very high	93.9	Very high	56 Å²	56	57 Å²	57	26%	0.262	27%	0.266	S	S	.	.			trans	-76.3	123.5	175.5	-73.5	-65	-54.7	0	0	112.1	N810 L812 K816 K819 R820	N810-Q814 WeakPolarHBondContact O-CG 3.32Å; N810-Q814 PolarHBondContact O-NE2 2.7Å; L812-Q814 PolarHBondContact O-N 3.34Å; L812-Q814 VanDerWaalsContact O-N 3.16Å; Q814-K816 VanDerWaalsContact C-N 3.3Å; Q814-K816 PolarHBondContact O-N 3.33Å; Q814-K819 HydrophobicContact CB-CB 4.23Å; Q814-K819 HydrophobicContact CG-CB 4.09Å; Q814-R820 HydrophobicContact CB-CB 4.01Å; Q814-R820 HydrophobicContact CB-CG 4.36Å; Q814-R820 PolarHBondContact O-NE 3.33Å; Q814-R820 PolarHBondContact O-NH2 3.15Å
815	V	86.8	Confident	93.9	Very high	41 Å²	41	58.8 Å²	58.8	25%	0.248	27%	0.272	C	S	.	.	S	Bend	trans	-61.9	-35.5	174.6	-175.6	0	0	0	0	112.5	P745 Q787 A789 M817	P745-V815 HydrophobicContact CB-CG1 4.14Å; P745-V815 HydrophobicContact CG-CG1 4.28Å; Q787-V815 WeakPolarHBondContact O-CG1 3.17Å; A789-V815 HydrophobicContact CB-CG2 3.41Å; A789-V815 VanDerWaalsContact CB-CG2 3.41Å; V815-M817 PolarHBondContact O-N 3.47Å
816	K	85.7	Confident	93.9	Very high	153 Å²	153	58.8 Å²	58.8	67%	0.665	27%	0.272	S	S	*	.	S	Bend	trans	-87.3	104.3	177.8	-70.4	179.2	179	175.3	0	108.9	Q814 R818 K819 R820	Q814-K816 VanDerWaalsContact C-N 3.3Å; Q814-K816 PolarHBondContact O-N 3.33Å; K816-R818 PolarHBondContact O-N 2.94Å; K816-K819 HydrophobicContact CB-CB 4.41Å; K816-K819 HydrophobicContact CB-CG 4.41Å; K816-K819 WeakPolarHBondContact O-CA 3.39Å; K816-K819 WeakPolarHBondContact O-CB 3.4Å; K816-K819 PolarHBondContact O-N 2.9Å; K816-R820 PolarHBondContact O-N 3.33Å
817	M	85.9	Confident	93.9	Very high	53 Å²	53	58 Å²	58	26%	0.261	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-43.6	-40.5	-179.7	-68.6	-177.3	-81.8	0	0	114.4	E746 N754 S756 V815 K819 R820	E746-M817 HydrophobicContact CB-CE 3.98Å; E746-M817 HydrophobicContact CB-CG 4.45Å; E746-M817 HydrophobicContact CB-SD 3.92Å; E746-M817 HydrophobicContact CG-CE 4.42Å; E746-M817 HydrophobicContact CG-CG 4.23Å; E746-M817 HydrophobicContact CG-SD 3.7Å; E746-M817 WeakPolarHBondContact OE1-CG 3.35Å; N754-M817 PolarHBondContact ND2-SD 2.99Å; S756-M817 WeakPolarHBondContact OG-CG 3.45Å; V815-M817 PolarHBondContact O-N 3.47Å; M817-K819 VanDerWaalsContact C-N 3.28Å; M817-K819 PolarHBondContact O-N 3.16Å; M817-R820 WeakPolarHBondContact O-CB 3.49Å; M817-R820 PolarHBondContact O-N 3.36Å; M817-R820 VanDerWaalsContact O-N 3.16Å
818	R	85.7	Confident	93.8	Very high	256 Å²	256	58.9 Å²	58.9	97%	0.966	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-69	-17.2	178.5	-64.4	-176.5	-175	160.6	0.4	115.2	K816	K816-R818 PolarHBondContact O-N 2.94Å
819	K	90.8	Very high	93.8	Very high	138 Å²	138	59.3 Å²	59.3	60%	0.6	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-91.4	-21.9	171.4	-75.7	-161.9	167.2	-157.5	0	112.4	Q814 K816 M817	Q814-K819 HydrophobicContact CB-CB 4.23Å; Q814-K819 HydrophobicContact CG-CB 4.09Å; K816-K819 HydrophobicContact CB-CB 4.41Å; K816-K819 HydrophobicContact CB-CG 4.41Å; K816-K819 WeakPolarHBondContact O-CA 3.39Å; K816-K819 WeakPolarHBondContact O-CB 3.4Å; K816-K819 PolarHBondContact O-N 2.9Å; M817-K819 VanDerWaalsContact C-N 3.28Å; M817-K819 PolarHBondContact O-N 3.16Å
820	R	94.3	Very high	93.8	Very high	14 Å²	14	62.8 Å²	62.8	5%	0.053	31%	0.305	C	S	.	.	S	Bend	trans	-65.1	140.8	179.6	-159.3	176.5	-58.6	148.2	6.2	109.9	E746 S756 M759 N811 L812 Q814 K816 M817	E746-R820 IonicContact OE1-CZ 2.75Å; E746-R820 IonicContact OE1-NH1 3.41Å; E746-R820 PolarHBondContact OE1-NH1 2.85Å; E746-R820 IonicContact OE1-NH2 2.71Å; E746-R820 PolarHBondContact OE1-NH2 2.62Å; E746-R820 IonicContact OE2-CZ 2.73Å; E746-R820 IonicContact OE2-NH1 3.72Å; E746-R820 IonicContact OE2-NH2 2.72Å; E746-R820 PolarHBondContact OE2-NH2 2.76Å; S756-R820 WeakPolarHBondContact O-CD 3.43Å; S756-R820 PolarHBondContact O-NH1 3.25Å; M759-R820 HydrophobicContact CB-CG 4.47Å; N811-R820 WeakPolarHBondContact O-CA 2.88Å; L812-R820 WeakPolarHBondContact O-CD 3.47Å; L812-R820 WeakPolarHBondContact O-CG 3.39Å; L812-R820 PolarHBondContact O-NE 3.04Å; Q814-R820 HydrophobicContact CB-CB 4.01Å; Q814-R820 HydrophobicContact CB-CG 4.36Å; Q814-R820 PolarHBondContact O-NE 3.33Å; Q814-R820 PolarHBondContact O-NH2 3.15Å; K816-R820 PolarHBondContact O-N 3.33Å; M817-R820 WeakPolarHBondContact O-CB 3.49Å; M817-R820 PolarHBondContact O-N 3.36Å; M817-R820 VanDerWaalsContact O-N 3.16Å
821	Y	96.8	Very high	93.9	Very high	57 Å²	57	60.3 Å²	60.3	22%	0.224	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-67.4	145.1	176.9	-84.1	32	0	0	0	111.4	M759 N811 K825	M759-Y821 WeakPolarHBondContact CG-O 3.37Å; N811-Y821 HydrophobicContact CB-CD1 3.62Å; N811-Y821 HydrophobicContact CB-CD2 4.29Å; N811-Y821 HydrophobicContact CB-CE1 3.56Å; N811-Y821 HydrophobicContact CB-CE2 4.27Å; N811-Y821 HydrophobicContact CB-CG 3.99Å; N811-Y821 VanDerWaalsContact CG-CE1 3.4Å; N811-Y821 PolarHBondContact O-N 3.18Å; N811-Y821 VanDerWaalsContact O-N 3.13Å; N811-Y821 WeakPolarHBondContact OD1-CE1 3.35Å; Y821-K825 HydrophobicContact CD1-CD 4.48Å; Y821-K825 HydrophobicContact CD2-CB 3.55Å; Y821-K825 WeakPolarHBondContact CD2-O 3.18Å; Y821-K825 HydrophobicContact CE2-CB 4.12Å; Y821-K825 HydrophobicContact CG-CB 3.85Å; Y821-K825 HydrophobicContact CG-CD 4.43Å
822	S	95.5	Very high	93.9	Very high	51 Å²	51	59.2 Å²	59.2	36%	0.357	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-85.1	166.8	165.2	60.6	0	0	0	0	110.1	D824 K825 S826	S822-D824 VanDerWaalsContact C-N 3.26Å; S822-D824 PolarHBondContact O-N 2.89Å; S822-K825 PolarHBondContact O-N 3.29Å; S822-K825 VanDerWaalsContact O-N 3.13Å; S822-S826 PolarHBondContact O-N 3.17Å; S822-S826 PolarHBondContact O-OG 3.24Å
823	V	96.6	Very high	93.8	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-46.5	-49.9	177.3	177.2	0	0	0	0	112	L684 L687 R688 M759 K825 S826 L827	L684-V823 HydrophobicContact CB-CG1 4.28Å; L684-V823 HydrophobicContact CD2-CG1 4.38Å; L684-V823 WeakPolarHBondContact O-CG1 3.4Å; L687-V823 HydrophobicContact CB-CG2 3.97Å; R688-V823 HydrophobicContact CB-CG1 3.8Å; R688-V823 HydrophobicContact CG-CG1 4.29Å; M759-V823 HydrophobicContact CE-CG2 4.42Å; M759-V823 HydrophobicContact SD-CB 4.35Å; M759-V823 HydrophobicContact SD-CG2 3.5Å; M759-V823 WeakPolarHBondContact SD-CG2 3.4Å; V823-K825 PolarHBondContact O-N 2.81Å; V823-S826 PolarHBondContact O-N 3.17Å; V823-L827 HydrophobicContact CG1-CD1 3.92Å; V823-L827 HydrophobicContact CG1-CG 4.42Å; V823-L827 WeakPolarHBondContact O-CG 3.36Å; V823-L827 PolarHBondContact O-N 3.28Å
824	D	95.6	Very high	93.8	Very high	90 Å²	90	64.2 Å²	64.2	48%	0.481	31%	0.311	S	S	.	.	H	α-helix	trans	-67.9	-39.1	-175.2	-36.9	-81.7	0	0	0	111.8	S822 S826 L827 S828	S822-D824 VanDerWaalsContact C-N 3.26Å; S822-D824 PolarHBondContact O-N 2.89Å; D824-S826 VanDerWaalsContact C-N 3.31Å; D824-S826 PolarHBondContact O-N 2.95Å; D824-L827 PolarHBondContact O-N 3.42Å; D824-S828 PolarHBondContact O-N 3.12Å; D824-S828 PolarHBondContact O-OG 2.92Å
825	K	96.9	Very high	94	Very high	127 Å²	127	62.8 Å²	62.8	55%	0.552	30%	0.303	S	S	*	.	H	α-helix	trans	-65.8	-33.9	174	-71.9	-170	172.7	-167.8	0	112.5	Y821 S822 V823 H829	Y821-K825 HydrophobicContact CD1-CD 4.48Å; Y821-K825 HydrophobicContact CD2-CB 3.55Å; Y821-K825 WeakPolarHBondContact CD2-O 3.18Å; Y821-K825 HydrophobicContact CE2-CB 4.12Å; Y821-K825 HydrophobicContact CG-CB 3.85Å; Y821-K825 HydrophobicContact CG-CD 4.43Å; S822-K825 PolarHBondContact O-N 3.29Å; S822-K825 VanDerWaalsContact O-N 3.13Å; V823-K825 PolarHBondContact O-N 2.81Å; K825-H829 PolarHBondContact O-N 3.4Å
826	S	98.2	Very high	94.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-73.5	-40.1	175.5	-64.9	0	0	0	0	112	M759 L812 S822 V823 D824 S828 H829	M759-S826 WeakPolarHBondContact CE-OG 3.37Å; L812-S826 WeakPolarHBondContact CD2-OG 3.38Å; S822-S826 PolarHBondContact O-N 3.17Å; S822-S826 PolarHBondContact O-OG 3.24Å; V823-S826 PolarHBondContact O-N 3.17Å; D824-S826 VanDerWaalsContact C-N 3.31Å; D824-S826 PolarHBondContact O-N 2.95Å; S826-S828 VanDerWaalsContact C-N 3.34Å; S826-S828 PolarHBondContact O-N 3.15Å; S826-H829 VanDerWaalsContact O-CB 3.24Å; S826-H829 WeakPolarHBondContact O-CB 3.48Å; S826-H829 PolarHBondContact O-N 3.02Å
827	L	96.9	Very high	94.8	Very high	19 Å²	19	57.2 Å²	57.2	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-41.3	174.1	-74.1	170.6	0	0	0	111.8	T681 L684 V685 V823 D824 H829 Q833	T681-L827 HydrophobicContact CG2-CD2 3.96Å; L684-L827 HydrophobicContact CB-CD2 3.6Å; L684-L827 HydrophobicContact CB-CG 3.92Å; L684-L827 HydrophobicContact CD1-CD2 4.02Å; L684-L827 HydrophobicContact CD1-CG 4.26Å; L684-L827 HydrophobicContact CG-CD2 4.47Å; V685-L827 HydrophobicContact CG2-CD1 4.35Å; V685-L827 HydrophobicContact CG2-CD2 4.16Å; V823-L827 HydrophobicContact CG1-CD1 3.92Å; V823-L827 HydrophobicContact CG1-CG 4.42Å; V823-L827 WeakPolarHBondContact O-CG 3.36Å; V823-L827 PolarHBondContact O-N 3.28Å; D824-L827 PolarHBondContact O-N 3.42Å; L827-H829 VanDerWaalsContact C-N 3.26Å; L827-H829 PolarHBondContact O-N 2.94Å; L827-Q833 PolarHBondContact O-NE2 3.02Å
828	S	96.3	Very high	95.2	Very high	90 Å²	90	55.1 Å²	55.1	63%	0.629	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	6.3	176.1	-56.9	0	0	0	0	114.9	D824 S826	D824-S828 PolarHBondContact O-N 3.12Å; D824-S828 PolarHBondContact O-OG 2.92Å; S826-S828 VanDerWaalsContact C-N 3.34Å; S826-S828 PolarHBondContact O-N 3.15Å
829	H	98.1	Very high	95.7	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.046	23%	0.227	C	C	.	.	S	Bend	trans	-73.9	138.8	178.9	-173.2	-88.4	0	0	0	111	E804 D807 L808 K825 S826 L827 W831 L832 Q833	E804-H829 PolarHBondContact O-CE1 2.95Å; E804-H829 VanDerWaalsContact O-CE1 3.24Å; D807-H829 IonicContact OD2-NE2 2.72Å; D807-H829 PolarHBondContact OD2-NE2 2.7Å; L808-H829 HydrophobicContact CD1-CB 4.02Å; K825-H829 PolarHBondContact O-N 3.4Å; S826-H829 VanDerWaalsContact O-CB 3.24Å; S826-H829 WeakPolarHBondContact O-CB 3.48Å; S826-H829 PolarHBondContact O-N 3.02Å; L827-H829 VanDerWaalsContact C-N 3.26Å; L827-H829 PolarHBondContact O-N 2.94Å; H829-W831 VanDerWaalsContact ND1-CB 3.32Å; H829-W831 WeakPolarHBondContact ND1-CB 3.27Å; H829-W831 PolarHBondContact ND1-N 3.01Å; H829-W831 VanDerWaalsContact ND1-N 3.18Å; H829-W831 PolarHBondContact O-N 3.31Å; H829-W831 VanDerWaalsContact O-N 3.07Å; H829-L832 PolarHBondContact O-N 3.13Å; H829-Q833 PolarHBondContact O-N 3Å
830	P	96.9	Very high	95.9	Very high	74 Å²	74	38.4 Å²	38.4	48%	0.481	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-48.3	-40.8	-178.3	-31.8	36.8	0	0	0	114.5	L832 Q833	P830-L832 PolarHBondContact O-N 2.94Å; P830-Q833 PolarHBondContact O-N 2.95Å
831	W	98	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-54.2	-27.4	176.6	-168.7	64.1	0	0	0	114.9	E673 T676 K677 V680 I766 L770 S802 E804 A805 L808 H829	E673-W831 HydrophobicContact CB-CZ2 4.47Å; E673-W831 HydrophobicContact CG-CZ2 4.33Å; E673-W831 PolarHBondContact OE2-NE1 3.42Å; T676-W831 HydrophobicContact CG2-CH2 4.04Å; K677-W831 WeakPolarHBondContact CD-O 3.36Å; K677-W831 WeakPolarHBondContact CE-O 3.21Å; K677-W831 HydrophobicContact CG-CD2 3.97Å; K677-W831 HydrophobicContact CG-CE3 4.17Å; K677-W831 HydrophobicContact CG-CH2 3.95Å; K677-W831 HydrophobicContact CG-CZ2 3.68Å; K677-W831 HydrophobicContact CG-CZ3 4.18Å; K677-W831 PolarHBondContact NZ-O 3.47Å; V680-W831 HydrophobicContact CG1-CZ3 4.41Å; I766-W831 HydrophobicContact CD1-CZ3 4.38Å; I766-W831 HydrophobicContact CG1-CZ3 4.41Å; I766-W831 HydrophobicContact CG2-CH2 3.84Å; I766-W831 HydrophobicContact CG2-CZ3 4.18Å; L770-W831 HydrophobicContact CD1-CH2 4.44Å; L770-W831 HydrophobicContact CD1-CZ2 4.02Å; S802-W831 PolarHBondContact OG-NE1 2.93Å; E804-W831 HydrophobicContact CB-CB 3.85Å; E804-W831 HydrophobicContact CB-CG 4.23Å; A805-W831 HydrophobicContact CB-CD2 4.33Å; A805-W831 HydrophobicContact CB-CG 4.45Å; A805-W831 HydrophobicContact CB-CZ2 4.06Å; L808-W831 HydrophobicContact CD2-CD2 4.42Å; L808-W831 HydrophobicContact CD2-CE3 3.5Å; L808-W831 VanDerWaalsContact CD2-CE3 3.5Å; L808-W831 HydrophobicContact CD2-CZ3 4.04Å; H829-W831 VanDerWaalsContact ND1-CB 3.32Å; H829-W831 WeakPolarHBondContact ND1-CB 3.27Å; H829-W831 PolarHBondContact ND1-N 3.01Å; H829-W831 VanDerWaalsContact ND1-N 3.18Å; H829-W831 PolarHBondContact O-N 3.31Å; H829-W831 VanDerWaalsContact O-N 3.07Å
832	L	96.9	Very high	95.8	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.042	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-103.4	-7.7	176.1	-61.3	-176.1	0	0	0	113.4	K677 V680 L684 H829 P830	K677-L832 HydrophobicContact CB-CD2 3.87Å; K677-L832 HydrophobicContact CG-CD2 4.03Å; V680-L832 HydrophobicContact CG1-CD1 4.26Å; L684-L832 HydrophobicContact CD1-CD1 3.52Å; H829-L832 PolarHBondContact O-N 3.13Å; P830-L832 PolarHBondContact O-N 2.94Å
833	Q	94.2	Very high	95.7	Very high	68 Å²	68	36.7 Å²	36.7	32%	0.318	19%	0.191	S	C	.	.			trans	-103.7	52.5	-175.2	-66.2	-67.5	-56.1	0	0	111	L827 H829 P830 W862	L827-Q833 PolarHBondContact O-NE2 3.02Å; H829-Q833 PolarHBondContact O-N 3Å; P830-Q833 PolarHBondContact O-N 2.95Å; Q833-W862 VanDerWaalsContact O-CH2 3.31Å; Q833-W862 WeakPolarHBondContact O-CH2 3.47Å
834	D	93	Very high	95.5	Very high	40 Å²	40	36.8 Å²	36.8	21%	0.214	19%	0.191	C	C	.	.			trans	-115.2	154.5	174.8	85.5	73.2	0	0	0	112.9	K677 Q836 T837 W838	K677-D834 WeakPolarHBondContact CD-OD2 3.34Å; K677-D834 IonicContact NZ-OD2 3.74Å; K677-D834 PolarHBondContact NZ-OD2 2.94Å; D834-Q836 VanDerWaalsContact C-N 3.35Å; D834-Q836 PolarHBondContact O-N 3.37Å; D834-Q836 WeakPolarHBondContact OD1-CA 3.22Å; D834-Q836 WeakPolarHBondContact OD1-CB 3.21Å; D834-Q836 PolarHBondContact OD1-N 3.35Å; D834-T837 PolarHBondContact O-N 3.37Å; D834-T837 PolarHBondContact OD1-N 2.87Å; D834-T837 PolarHBondContact OD1-OG1 3.36Å; D834-T837 WeakPolarHBondContact OD2-CB 3.02Å; D834-T837 PolarHBondContact OD2-OG1 2.82Å; D834-W838 PolarHBondContact O-N 3.48Å
835	Y	94.1	Very high	95.4	Very high	25 Å²	25	32.6 Å²	32.6	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-36.5	-174.5	-174.5	-115.7	0	0	0	113.6	W838 L839 W862 H865 A866 L871 V872 Y873	Y835-W838 AromaticContact CD2-CE3 3.81Å; Y835-W838 HydrophobicContact CD2-CE3 3.81Å; Y835-W838 HydrophobicContact CD2-CZ3 4.04Å; Y835-W838 AromaticContact CE2-CE3 3.69Å; Y835-W838 HydrophobicContact CE2-CE3 3.69Å; Y835-W838 HydrophobicContact CE2-CH2 4.48Å; Y835-W838 AromaticContact CE2-CZ3 3.41Å; Y835-W838 HydrophobicContact CE2-CZ3 3.41Å; Y835-W838 VanDerWaalsContact CE2-CZ3 3.41Å; Y835-W838 PolarHBondContact O-N 2.85Å; Y835-L839 HydrophobicContact CD1-CD1 3.87Å; Y835-L839 HydrophobicContact CD1-CG 4.4Å; Y835-L839 HydrophobicContact CE1-CD1 3.54Å; Y835-L839 HydrophobicContact CE1-CG 4.11Å; Y835-L839 WeakPolarHBondContact O-CB 3.4Å; Y835-L839 WeakPolarHBondContact O-CG 3.04Å; Y835-L839 PolarHBondContact O-N 3.46Å; Y835-W862 HydrophobicContact CD2-CB 3.98Å; Y835-W862 AromaticContact CD2-CD2 3.91Å; Y835-W862 HydrophobicContact CD2-CD2 3.91Å; Y835-W862 AromaticContact CD2-CE3 3.56Å; Y835-W862 HydrophobicContact CD2-CE3 3.56Å; Y835-W862 HydrophobicContact CD2-CG 4.12Å; Y835-W862 HydrophobicContact CD2-CZ3 4.34Å; Y835-W862 HydrophobicContact CE2-CB 4Å; Y835-W862 HydrophobicContact CG-CE3 4.2Å; Y835-H865 AromaticContact CD2-ND1 3.87Å; Y835-H865 AromaticContact CG-ND1 3.9Å; Y835-A866 HydrophobicContact CE2-CB 4.01Å; Y835-A866 WeakPolarHBondContact OH-CB 3.09Å; Y835-L871 HydrophobicContact CD1-CD1 3.64Å; Y835-L871 HydrophobicContact CE1-CB 3.99Å; Y835-L871 HydrophobicContact CE1-CD1 3.87Å; Y835-L871 HydrophobicContact CG-CD1 4.33Å; Y835-V872 PolarHBondContact OH-O 2.85Å; Y835-Y873 WeakPolarHBondContact OH-CA 3.21Å
836	Q	94.9	Very high	95.2	Very high	76 Å²	76	27.7 Å²	27.7	36%	0.355	15%	0.149	S	C	.	.	H	α-helix	trans	-72.7	-38.2	179.4	-176.7	62.5	85.1	0	0	111.2	D834 L839 D840	D834-Q836 VanDerWaalsContact C-N 3.35Å; D834-Q836 PolarHBondContact O-N 3.37Å; D834-Q836 WeakPolarHBondContact OD1-CA 3.22Å; D834-Q836 WeakPolarHBondContact OD1-CB 3.21Å; D834-Q836 PolarHBondContact OD1-N 3.35Å; Q836-L839 PolarHBondContact O-N 3Å; Q836-D840 PolarHBondContact NE2-OD1 3.09Å; Q836-D840 PolarHBondContact O-N 3.35Å
837	T	95.4	Very high	94.8	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-42.3	173.5	-63.7	0	0	0	0	111.1	K677 D834 D840 L841	K677-T837 HydrophobicContact CB-CG2 4.18Å; K677-T837 VanDerWaalsContact CD-OG1 3.23Å; K677-T837 WeakPolarHBondContact CD-OG1 3.32Å; D834-T837 PolarHBondContact O-N 3.37Å; D834-T837 PolarHBondContact OD1-N 2.87Å; D834-T837 PolarHBondContact OD1-OG1 3.36Å; D834-T837 WeakPolarHBondContact OD2-CB 3.02Å; D834-T837 PolarHBondContact OD2-OG1 2.82Å; T837-D840 PolarHBondContact O-N 3.27Å; T837-L841 HydrophobicContact CG2-CD1 4.02Å; T837-L841 WeakPolarHBondContact O-CD1 3.33Å; T837-L841 WeakPolarHBondContact O-CG 3.14Å; T837-L841 PolarHBondContact O-N 2.96Å; T837-L841 VanDerWaalsContact O-N 3.17Å
838	W	95	Very high	94.4	Very high	8 Å²	8	35.4 Å²	35.4	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-44.2	173.2	167.2	84.5	0	0	0	112.6	D834 Y835 D840 L841 R842 D859 W862 Y873 F877	D834-W838 PolarHBondContact O-N 3.48Å; Y835-W838 AromaticContact CD2-CE3 3.81Å; Y835-W838 HydrophobicContact CD2-CE3 3.81Å; Y835-W838 HydrophobicContact CD2-CZ3 4.04Å; Y835-W838 AromaticContact CE2-CE3 3.69Å; Y835-W838 HydrophobicContact CE2-CE3 3.69Å; Y835-W838 HydrophobicContact CE2-CH2 4.48Å; Y835-W838 AromaticContact CE2-CZ3 3.41Å; Y835-W838 HydrophobicContact CE2-CZ3 3.41Å; Y835-W838 VanDerWaalsContact CE2-CZ3 3.41Å; Y835-W838 PolarHBondContact O-N 2.85Å; W838-D840 VanDerWaalsContact C-N 3.35Å; W838-D840 PolarHBondContact O-N 3.23Å; W838-L841 PolarHBondContact O-N 3.24Å; W838-L841 VanDerWaalsContact O-N 3.16Å; W838-R842 HydrophobicContact CD2-CG 4.02Å; W838-R842 VanDerWaalsContact CE2-CG 3.43Å; W838-R842 HydrophobicContact CG-CG 4.22Å; W838-R842 HydrophobicContact CZ2-CG 3.78Å; W838-R842 VanDerWaalsContact NE1-CG 3.28Å; W838-R842 WeakPolarHBondContact O-CG 3.34Å; W838-R842 PolarHBondContact O-N 2.76Å; W838-D859 HydrophobicContact CZ2-CB 4.37Å; W838-D859 WeakPolarHBondContact CZ2-OD1 3.25Å; W838-D859 PolarHBondContact NE1-OD1 2.95Å; W838-D859 VanDerWaalsContact NE1-OD1 3.08Å; W838-W862 HydrophobicContact CB-CG 4.34Å; W838-W862 VanDerWaalsContact CB-NE1 3.32Å; W838-W862 AromaticContact CD1-CD1 3.31Å; W838-W862 AromaticContact CD1-NE1 3.67Å; W838-W862 HydrophobicContact CD2-CB 3.81Å; W838-W862 AromaticContact CD2-CD1 3.29Å; W838-W862 AromaticContact CD2-CG 3.67Å; W838-W862 HydrophobicContact CD2-CG 3.67Å; W838-W862 AromaticContact CD2-NE1 3.99Å; W838-W862 AromaticContact CE2-CD1 3.62Å; W838-W862 HydrophobicContact CE3-CB 3.74Å; W838-W862 AromaticContact CE3-CD1 3.97Å; W838-W862 AromaticContact CE3-CG 3.88Å; W838-W862 HydrophobicContact CE3-CG 3.88Å; W838-W862 AromaticContact CG-CD1 3.1Å; W838-W862 AromaticContact CG-CG 3.89Å; W838-W862 HydrophobicContact CG-CG 3.89Å; W838-W862 AromaticContact CG-NE1 3.35Å; W838-W862 HydrophobicContact CH2-CB 4.04Å; W838-W862 HydrophobicContact CZ2-CB 4.05Å; W838-W862 HydrophobicContact CZ3-CB 3.86Å; W838-W862 HydrophobicContact CZ3-CG 4.49Å; W838-W862 AromaticContact NE1-CD1 3.56Å; W838-Y873 AromaticContact CH2-CD2 3.91Å; W838-Y873 HydrophobicContact CH2-CD2 3.91Å; W838-Y873 AromaticContact CH2-CE2 3.32Å; W838-Y873 HydrophobicContact CH2-CE2 3.32Å; W838-Y873 HydrophobicContact CZ2-CE2 4.02Å; W838-Y873 HydrophobicContact CZ3-CD2 4.34Å; W838-Y873 HydrophobicContact CZ3-CE2 4.13Å; W838-F877 HydrophobicContact CH2-CD2 4.28Å; W838-F877 AromaticContact CH2-CE2 3.68Å; W838-F877 HydrophobicContact CH2-CE2 3.68Å; W838-F877 HydrophobicContact CZ2-CD2 4.45Å; W838-F877 HydrophobicContact CZ2-CE2 4.15Å; W838-F877 HydrophobicContact CZ3-CE2 4.21Å
839	L	94.8	Very high	94	Very high	28 Å²	28	33.7 Å²	33.7	15%	0.147	18%	0.178	C	C	.	.	H	α-helix	trans	-56.1	-47.4	175.7	-79.2	175.3	0	0	0	112	Y835 Q836 L841 R842 E843 P874 F877	Y835-L839 HydrophobicContact CD1-CD1 3.87Å; Y835-L839 HydrophobicContact CD1-CG 4.4Å; Y835-L839 HydrophobicContact CE1-CD1 3.54Å; Y835-L839 HydrophobicContact CE1-CG 4.11Å; Y835-L839 WeakPolarHBondContact O-CB 3.4Å; Y835-L839 WeakPolarHBondContact O-CG 3.04Å; Y835-L839 PolarHBondContact O-N 3.46Å; Q836-L839 PolarHBondContact O-N 3Å; L839-L841 VanDerWaalsContact C-N 3.25Å; L839-L841 PolarHBondContact O-N 3.02Å; L839-R842 PolarHBondContact O-N 2.82Å; L839-E843 VanDerWaalsContact O-CB 3.29Å; L839-E843 WeakPolarHBondContact O-CB 3.4Å; L839-E843 PolarHBondContact O-N 3.29Å; L839-P874 HydrophobicContact CD2-CG 3.59Å; L839-F877 HydrophobicContact CD2-CE2 4.15Å; L839-F877 HydrophobicContact CD2-CZ 3.86Å
840	D	95.8	Very high	93.6	Very high	15 Å²	15	37.9 Å²	37.9	8%	0.08	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-36.5	179.7	-66.9	-11.9	0	0	0	111.6	R674 F678 F713 Q836 T837 W838 F844	R674-D840 VanDerWaalsContact CG-OD2 3.28Å; R674-D840 WeakPolarHBondContact CG-OD2 3.34Å; R674-D840 IonicContact CZ-OD1 3.2Å; R674-D840 IonicContact CZ-OD2 2.68Å; R674-D840 IonicContact NE-OD1 3.94Å; R674-D840 PolarHBondContact NE-OD1 3.25Å; R674-D840 IonicContact NE-OD2 2.84Å; R674-D840 PolarHBondContact NE-OD2 3.49Å; R674-D840 IonicContact NH2-OD1 2.63Å; R674-D840 PolarHBondContact NH2-OD1 2.92Å; R674-D840 IonicContact NH2-OD2 3.99Å; F678-D840 HydrophobicContact CD2-CB 3.92Å; F678-D840 HydrophobicContact CE2-CB 4.43Å; F678-D840 WeakPolarHBondContact CE2-O 3.43Å; F713-D840 HydrophobicContact CD1-CB 4.23Å; F713-D840 HydrophobicContact CE1-CB 4.11Å; F713-D840 VanDerWaalsContact CE1-OD2 3.24Å; F713-D840 WeakPolarHBondContact CE1-OD2 3.47Å; Q836-D840 PolarHBondContact NE2-OD1 3.09Å; Q836-D840 PolarHBondContact O-N 3.35Å; T837-D840 PolarHBondContact O-N 3.27Å; W838-D840 VanDerWaalsContact C-N 3.35Å; W838-D840 PolarHBondContact O-N 3.23Å; D840-F844 WeakPolarHBondContact O-CB 3.16Å; D840-F844 PolarHBondContact O-N 3.26Å; D840-F844 VanDerWaalsContact O-N 3.09Å
841	L	95.4	Very high	93.3	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.047	18%	0.183	C	C	.	.	H	α-helix	trans	-73.8	-44	178.1	-68.1	169.3	0	0	0	112.6	F678 T681 T837 W838 L839 F844 E845 I853 T854	F678-L841 HydrophobicContact CD2-CD2 3.54Å; F678-L841 HydrophobicContact CD2-CG 4.05Å; F678-L841 HydrophobicContact CE2-CD2 3.74Å; F678-L841 HydrophobicContact CE2-CG 4.44Å; F678-L841 HydrophobicContact CG-CD2 4.39Å; T681-L841 HydrophobicContact CG2-CD1 3.82Å; T837-L841 HydrophobicContact CG2-CD1 4.02Å; T837-L841 WeakPolarHBondContact O-CD1 3.33Å; T837-L841 WeakPolarHBondContact O-CG 3.14Å; T837-L841 PolarHBondContact O-N 2.96Å; T837-L841 VanDerWaalsContact O-N 3.17Å; W838-L841 PolarHBondContact O-N 3.24Å; W838-L841 VanDerWaalsContact O-N 3.16Å; L839-L841 VanDerWaalsContact C-N 3.25Å; L839-L841 PolarHBondContact O-N 3.02Å; L841-F844 PolarHBondContact O-N 3.34Å; L841-E845 WeakPolarHBondContact O-CG 3.33Å; L841-E845 PolarHBondContact O-N 3.3Å; L841-I853 HydrophobicContact CD1-CG2 4.18Å; L841-I853 HydrophobicContact CD2-CD1 4.04Å; L841-I853 HydrophobicContact CD2-CG2 3.95Å; L841-T854 HydrophobicContact CB-CG2 3.82Å
842	R	92.8	Very high	93	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.015	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-36.6	176.6	-64.3	-58.5	-76	119.4	2.5	112.6	W838 L839 E845 T846 R851 T854 D859 F877 I878	W838-R842 HydrophobicContact CD2-CG 4.02Å; W838-R842 VanDerWaalsContact CE2-CG 3.43Å; W838-R842 HydrophobicContact CG-CG 4.22Å; W838-R842 HydrophobicContact CZ2-CG 3.78Å; W838-R842 VanDerWaalsContact NE1-CG 3.28Å; W838-R842 WeakPolarHBondContact O-CG 3.34Å; W838-R842 PolarHBondContact O-N 2.76Å; L839-R842 PolarHBondContact O-N 2.82Å; R842-E845 WeakPolarHBondContact CD-OE2 3.24Å; R842-E845 IonicContact CZ-OE2 3.61Å; R842-E845 IonicContact NE-OE2 3.86Å; R842-E845 IonicContact NH1-OE2 2.84Å; R842-E845 PolarHBondContact NH1-OE2 3.39Å; R842-E845 PolarHBondContact O-N 3.17Å; R842-T846 WeakPolarHBondContact O-CB 3.37Å; R842-T846 PolarHBondContact O-N 3.09Å; R842-T846 PolarHBondContact O-OG1 3.22Å; R842-R851 VanDerWaalsContact NE-NH2 3.11Å; R842-T854 WeakPolarHBondContact CD-OG1 3.04Å; R842-T854 HydrophobicContact CG-CG2 4.41Å; R842-D859 WeakPolarHBondContact CD-OD1 3.39Å; R842-D859 IonicContact CZ-OD1 3.56Å; R842-D859 IonicContact CZ-OD2 2.67Å; R842-D859 IonicContact NE-OD1 2.69Å; R842-D859 PolarHBondContact NE-OD1 3.48Å; R842-D859 IonicContact NE-OD2 3.58Å; R842-D859 PolarHBondContact NE-OD2 3.12Å; R842-D859 IonicContact NH2-OD2 3.67Å; R842-D859 PolarHBondContact NH2-OD2 3.31Å; R842-F877 HydrophobicContact CB-CD1 3.91Å; R842-F877 HydrophobicContact CB-CD2 3.89Å; R842-F877 HydrophobicContact CB-CE1 3.74Å; R842-F877 HydrophobicContact CB-CE2 3.7Å; R842-F877 HydrophobicContact CB-CG 3.98Å; R842-F877 HydrophobicContact CB-CZ 3.62Å; R842-F877 HydrophobicContact CG-CD2 4.36Å; R842-F877 HydrophobicContact CG-CE2 4.24Å; R842-I878 PolarHBondContact NH2-O 3.42Å
843	E	93.1	Very high	92.9	Very high	74 Å²	74	38 Å²	38	35%	0.346	19%	0.189	S	C	.	.	H	α-helix	trans	-64.8	-41.1	172.9	-174.8	62	-155.2	0	0	110.8	L839 R847 H876 F877	L839-E843 VanDerWaalsContact O-CB 3.29Å; L839-E843 WeakPolarHBondContact O-CB 3.4Å; L839-E843 PolarHBondContact O-N 3.29Å; E843-R847 VanDerWaalsContact O-CG 3.3Å; E843-R847 WeakPolarHBondContact O-CG 3.36Å; E843-R847 PolarHBondContact O-N 3.39Å; E843-H876 IonicContact OE2-CD2 2.7Å; E843-H876 IonicContact OE2-CE1 3.21Å; E843-H876 IonicContact OE2-NE2 2.63Å; E843-H876 PolarHBondContact OE2-NE2 3.29Å; E843-F877 HydrophobicContact CB-CE1 4.26Å
844	F	94	Very high	92.8	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.022	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-50.7	172.8	168.3	-97.6	0	0	0	112.7	F678 Q715 D840 L841 T846 R847 I848 Y852 I853	F678-F844 HydrophobicContact CE2-CB 3.75Å; F678-F844 HydrophobicContact CE2-CG 4.12Å; F678-F844 HydrophobicContact CZ-CB 3.86Å; F678-F844 HydrophobicContact CZ-CD1 4.4Å; F678-F844 HydrophobicContact CZ-CD2 4.01Å; F678-F844 AromaticContact CZ-CG 3.8Å; F678-F844 HydrophobicContact CZ-CG 3.8Å; Q715-F844 HydrophobicContact CB-CE2 3.76Å; Q715-F844 HydrophobicContact CB-CZ 3.58Å; Q715-F844 HydrophobicContact CG-CZ 3.83Å; D840-F844 WeakPolarHBondContact O-CB 3.16Å; D840-F844 PolarHBondContact O-N 3.26Å; D840-F844 VanDerWaalsContact O-N 3.09Å; L841-F844 PolarHBondContact O-N 3.34Å; F844-T846 VanDerWaalsContact C-N 3.28Å; F844-T846 PolarHBondContact O-N 2.9Å; F844-R847 PolarHBondContact O-N 2.95Å; F844-R847 VanDerWaalsContact O-N 3.11Å; F844-I848 HydrophobicContact CD1-CD1 4.49Å; F844-I848 HydrophobicContact CD2-CG2 4.45Å; F844-I848 HydrophobicContact CE1-CD1 3.75Å; F844-I848 HydrophobicContact CE2-CG2 3.85Å; F844-I848 HydrophobicContact CZ-CD1 3.9Å; F844-I848 HydrophobicContact CZ-CG2 3.95Å; F844-I848 PolarHBondContact O-N 3.47Å; F844-I848 VanDerWaalsContact O-N 3.13Å; F844-Y852 AromaticContact CE1-CE1 3.94Å; F844-Y852 HydrophobicContact CE1-CE1 3.94Å; F844-I853 HydrophobicContact CD1-CD1 3.71Å; F844-I853 HydrophobicContact CE1-CD1 3.68Å
845	E	93.3	Very high	92.5	Very high	2 Å²	2	39 Å²	39	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-57.2	-40.9	176.6	-73.2	179.1	143.3	0	0	111.8	L841 R842 R847 I848 G849 E850 R851 Y852 I853 T854	L841-E845 WeakPolarHBondContact O-CG 3.33Å; L841-E845 PolarHBondContact O-N 3.3Å; R842-E845 WeakPolarHBondContact CD-OE2 3.24Å; R842-E845 IonicContact CZ-OE2 3.61Å; R842-E845 IonicContact NE-OE2 3.86Å; R842-E845 IonicContact NH1-OE2 2.84Å; R842-E845 PolarHBondContact NH1-OE2 3.39Å; R842-E845 PolarHBondContact O-N 3.17Å; E845-R847 PolarHBondContact O-N 3.06Å; E845-I848 VanDerWaalsContact O-CG1 3.27Å; E845-I848 WeakPolarHBondContact O-CG1 3.44Å; E845-I848 PolarHBondContact O-N 2.88Å; E845-G849 PolarHBondContact O-N 3.25Å; E845-E850 WeakPolarHBondContact CB-O 3.13Å; E845-E850 PolarHBondContact O-N 3.32Å; E845-R851 WeakPolarHBondContact OE1-CG 3.46Å; E845-Y852 PolarHBondContact OE1-N 3.23Å; E845-I853 HydrophobicContact CG-CD1 4.42Å; E845-I853 WeakPolarHBondContact OE1-CA 3.32Å; E845-I853 WeakPolarHBondContact OE1-CB 3.41Å; E845-I853 PolarHBondContact OE1-N 2.67Å; E845-T854 PolarHBondContact OE1-N 2.89Å; E845-T854 PolarHBondContact OE2-OG1 3.27Å
846	T	91.1	Very high	92.1	Very high	24 Å²	24	41.9 Å²	41.9	15%	0.147	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-37.6	176.5	-62.5	0	0	0	0	112.3	R842 F844 F877 I878	R842-T846 WeakPolarHBondContact O-CB 3.37Å; R842-T846 PolarHBondContact O-N 3.09Å; R842-T846 PolarHBondContact O-OG1 3.22Å; F844-T846 VanDerWaalsContact C-N 3.28Å; F844-T846 PolarHBondContact O-N 2.9Å; T846-F877 WeakPolarHBondContact OG1-CA 3.27Å; T846-I878 HydrophobicContact CG2-CD1 4.32Å; T846-I878 HydrophobicContact CG2-CG1 4.18Å; T846-I878 PolarHBondContact OG1-N 3.28Å
847	R	90.4	Very high	91.7	Very high	115 Å²	115	41.5 Å²	41.5	43%	0.434	21%	0.213	S	C	.	.	H	α-helix	trans	-71.9	-27.5	176.8	-72.7	-174.6	-54.5	135.1	0	114	E711 F713 E843 F844 E845	E711-R847 IonicContact OE1-NH1 3.53Å; E711-R847 IonicContact OE2-CZ 3.4Å; E711-R847 IonicContact OE2-NH1 2.73Å; E711-R847 PolarHBondContact OE2-NH1 3.13Å; E711-R847 IonicContact OE2-NH2 2.72Å; F713-R847 PolarHBondContact O-NH2 3.19Å; F713-R847 VanDerWaalsContact O-NH2 3.13Å; E843-R847 VanDerWaalsContact O-CG 3.3Å; E843-R847 WeakPolarHBondContact O-CG 3.36Å; E843-R847 PolarHBondContact O-N 3.39Å; F844-R847 PolarHBondContact O-N 2.95Å; F844-R847 VanDerWaalsContact O-N 3.11Å; E845-R847 PolarHBondContact O-N 3.06Å
848	I	88.6	Confident	91.4	Very high	67 Å²	67	42.8 Å²	42.8	34%	0.344	22%	0.22	S	C	.	.	H	α-helix	trans	-91.6	-18.3	176.5	63.9	169.5	0	0	0	113.5	F844 E845 E850 Y852	F844-I848 HydrophobicContact CD1-CD1 4.49Å; F844-I848 HydrophobicContact CD2-CG2 4.45Å; F844-I848 HydrophobicContact CE1-CD1 3.75Å; F844-I848 HydrophobicContact CE2-CG2 3.85Å; F844-I848 HydrophobicContact CZ-CD1 3.9Å; F844-I848 HydrophobicContact CZ-CG2 3.95Å; F844-I848 PolarHBondContact O-N 3.47Å; F844-I848 VanDerWaalsContact O-N 3.13Å; E845-I848 VanDerWaalsContact O-CG1 3.27Å; E845-I848 WeakPolarHBondContact O-CG1 3.44Å; E845-I848 PolarHBondContact O-N 2.88Å; I848-E850 HydrophobicContact CD1-CB 4.17Å; I848-E850 HydrophobicContact CG1-CB 4.33Å; I848-Y852 HydrophobicContact CD1-CD1 4.05Å; I848-Y852 HydrophobicContact CD1-CE1 3.56Å
849	G	89	Confident	91	Very high	53 Å²	53	42.8 Å²	42.8	55%	0.546	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	16	-178.9	0	0	0	0	0	114.9	E845	E845-G849 PolarHBondContact O-N 3.25Å
850	E	88.6	Confident	90.7	Very high	98 Å²	98	44 Å²	44	46%	0.458	24%	0.235	S	C	.	.			trans	-139	131.6	-176.6	-174.9	-177.9	-171.8	0	0	110.2	P633 E845 I848	P633-E850 VanDerWaalsContact CG-CD 3.46Å; P633-E850 WeakPolarHBondContact CG-OE1 3.41Å; P633-E850 VanDerWaalsContact CG-OE2 3.23Å; P633-E850 WeakPolarHBondContact CG-OE2 3.22Å; E845-E850 WeakPolarHBondContact CB-O 3.13Å; E845-E850 PolarHBondContact O-N 3.32Å; I848-E850 HydrophobicContact CD1-CB 4.17Å; I848-E850 HydrophobicContact CG1-CB 4.33Å
851	R	90.2	Very high	90.4	Very high	46 Å²	46	48 Å²	48	17%	0.174	25%	0.249	C	C	.	.			trans	-96.2	121.3	171.8	-167.7	-174.4	-161	137	18.5	109.4	R842 E845 T854 H855 E856 D859	R842-R851 VanDerWaalsContact NE-NH2 3.11Å; E845-R851 WeakPolarHBondContact OE1-CG 3.46Å; R851-T854 PolarHBondContact NE-O 2.75Å; R851-T854 PolarHBondContact NE-OG1 2.96Å; R851-T854 PolarHBondContact NH2-OG1 3.39Å; R851-H855 PolarHBondContact NH2-O 3.45Å; R851-H855 VanDerWaalsContact NH2-O 3.14Å; R851-E856 WeakPolarHBondContact CD-OE1 3.46Å; R851-E856 IonicContact CZ-OE1 3.27Å; R851-E856 VanDerWaalsContact CZ-OE1 3.31Å; R851-E856 IonicContact NE-OE1 3.5Å; R851-E856 PolarHBondContact NE-OE1 3.4Å; R851-E856 IonicContact NH1-OE1 3.68Å; R851-E856 PolarHBondContact NH1-OE1 2.97Å; R851-D859 IonicContact CZ-OD1 3.44Å; R851-D859 IonicContact CZ-OD2 2.69Å; R851-D859 VanDerWaalsContact CZ-OD2 3.27Å; R851-D859 IonicContact NH1-OD2 3.46Å; R851-D859 PolarHBondContact NH1-OD2 3.42Å; R851-D859 IonicContact NH2-OD1 3.55Å; R851-D859 PolarHBondContact NH2-OD1 3.12Å; R851-D859 IonicContact NH2-OD2 3.51Å; R851-D859 PolarHBondContact NH2-OD2 3.3Å
852	Y	92.1	Very high	90.3	Very high	26 Å²	26	48.5 Å²	48.5	10%	0.102	25%	0.25	C	S	.	.			trans	-147.5	-9.7	177.7	75.6	-89.7	0	0	0	114.7	P633 Q682 V685 Q715 F844 E845 I848	P633-Y852 HydrophobicContact CB-CD1 3.79Å; P633-Y852 HydrophobicContact CB-CD2 4.12Å; P633-Y852 HydrophobicContact CB-CE1 3.57Å; P633-Y852 HydrophobicContact CB-CE2 3.95Å; P633-Y852 HydrophobicContact CB-CG 4.06Å; P633-Y852 HydrophobicContact CG-CD1 3.84Å; P633-Y852 HydrophobicContact CG-CD2 4.26Å; P633-Y852 HydrophobicContact CG-CE1 4.17Å; P633-Y852 HydrophobicContact CG-CG 3.89Å; Q682-Y852 PolarHBondContact OE1-OH 3.46Å; V685-Y852 HydrophobicContact CG1-CD2 4.17Å; V685-Y852 WeakPolarHBondContact CG1-O 3.36Å; Q715-Y852 PolarHBondContact NE2-OH 3.25Å; F844-Y852 AromaticContact CE1-CE1 3.94Å; F844-Y852 HydrophobicContact CE1-CE1 3.94Å; E845-Y852 PolarHBondContact OE1-N 3.23Å; I848-Y852 HydrophobicContact CD1-CD1 4.05Å; I848-Y852 HydrophobicContact CD1-CE1 3.56Å
853	I	94.3	Very high	90.2	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.072	27%	0.272	C	S	.	.	S	Bend	trans	-105.4	-50.3	-174.7	-53.4	164.1	0	0	0	110.3	T681 Q682 V685 L841 F844 E845	T681-I853 HydrophobicContact CG2-CG2 3.71Å; Q682-I853 HydrophobicContact CG-CD1 3.7Å; Q682-I853 HydrophobicContact CG-CG1 4.43Å; V685-I853 HydrophobicContact CG2-CG2 4.1Å; L841-I853 HydrophobicContact CD1-CG2 4.18Å; L841-I853 HydrophobicContact CD2-CD1 4.04Å; L841-I853 HydrophobicContact CD2-CG2 3.95Å; F844-I853 HydrophobicContact CD1-CD1 3.71Å; F844-I853 HydrophobicContact CE1-CD1 3.68Å; E845-I853 HydrophobicContact CG-CD1 4.42Å; E845-I853 WeakPolarHBondContact OE1-CA 3.32Å; E845-I853 WeakPolarHBondContact OE1-CB 3.41Å; E845-I853 PolarHBondContact OE1-N 2.67Å
854	T	92.2	Very high	90	Very high	15 Å²	15	55.2 Å²	55.2	9%	0.092	28%	0.284	C	S	.	.	S	Bend	trans	-95.2	163.4	-179.9	74.1	0	0	0	0	111.3	L841 R842 E845 R851	L841-T854 HydrophobicContact CB-CG2 3.82Å; R842-T854 WeakPolarHBondContact CD-OG1 3.04Å; R842-T854 HydrophobicContact CG-CG2 4.41Å; E845-T854 PolarHBondContact OE1-N 2.89Å; E845-T854 PolarHBondContact OE2-OG1 3.27Å; R851-T854 PolarHBondContact NE-O 2.75Å; R851-T854 PolarHBondContact NE-OG1 2.96Å; R851-T854 PolarHBondContact NH2-OG1 3.39Å
855	H	88.5	Confident	89.9	Confident	113 Å²	113	57.4 Å²	57.4	52%	0.523	29%	0.294	S	S	.	.			trans	-120.9	154.5	178.2	-174.6	-112	0	0	0	111	R851 S857 D858	R851-H855 PolarHBondContact NH2-O 3.45Å; R851-H855 VanDerWaalsContact NH2-O 3.14Å; H855-S857 PolarHBondContact ND1-OG 2.75Å; H855-S857 PolarHBondContact O-N 3.11Å; H855-S857 VanDerWaalsContact O-N 3.1Å; H855-D858 PolarHBondContact N-OD2 3.25Å; H855-D858 WeakPolarHBondContact O-CA 3.45Å; H855-D858 WeakPolarHBondContact O-CB 3.44Å; H855-D858 PolarHBondContact O-N 3.45Å
856	E	85.3	Confident	89.9	Confident	86 Å²	86	57.3 Å²	57.3	40%	0.402	29%	0.294	S	S	.	.	H	α-helix	trans	-53	-35.3	-177.6	-76.6	52.6	-130.2	0	0	112.7	R851 D858 D859	R851-E856 WeakPolarHBondContact CD-OE1 3.46Å; R851-E856 IonicContact CZ-OE1 3.27Å; R851-E856 VanDerWaalsContact CZ-OE1 3.31Å; R851-E856 IonicContact NE-OE1 3.5Å; R851-E856 PolarHBondContact NE-OE1 3.4Å; R851-E856 IonicContact NH1-OE1 3.68Å; R851-E856 PolarHBondContact NH1-OE1 2.97Å; E856-D858 PolarHBondContact O-N 3.22Å; E856-D859 PolarHBondContact O-N 3.45Å
857	S	85.9	Confident	90	Very high	68 Å²	68	65.9 Å²	65.9	48%	0.476	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-23.9	175.1	62	0	0	0	0	114.2	H855 R861	H855-S857 PolarHBondContact ND1-OG 2.75Å; H855-S857 PolarHBondContact O-N 3.11Å; H855-S857 VanDerWaalsContact O-N 3.1Å; S857-R861 WeakPolarHBondContact O-CB 3.42Å; S857-R861 PolarHBondContact O-N 3.13Å
858	D	88.3	Confident	90.2	Very high	28 Å²	28	64.8 Å²	64.8	15%	0.15	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-41.8	174.7	-61.7	-42.6	0	0	0	110.3	H855 E856 R861 W862	H855-D858 PolarHBondContact N-OD2 3.25Å; H855-D858 WeakPolarHBondContact O-CA 3.45Å; H855-D858 WeakPolarHBondContact O-CB 3.44Å; H855-D858 PolarHBondContact O-N 3.45Å; E856-D858 PolarHBondContact O-N 3.22Å; D858-R861 PolarHBondContact O-N 3.39Å; D858-R861 IonicContact OD1-CZ 3.52Å; D858-R861 IonicContact OD1-NH1 2.69Å; D858-R861 IonicContact OD1-NH2 2.72Å; D858-R861 PolarHBondContact OD1-NH2 3.09Å; D858-W862 WeakPolarHBondContact O-CB 3.03Å; D858-W862 PolarHBondContact O-N 3.09Å
859	D	88.5	Confident	90.4	Very high	9 Å²	9	67 Å²	67	5%	0.048	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-50	-176.2	-61.9	-17.7	0	0	0	110.4	W838 R842 R851 E856 R861 W862 E863	W838-D859 HydrophobicContact CZ2-CB 4.37Å; W838-D859 WeakPolarHBondContact CZ2-OD1 3.25Å; W838-D859 PolarHBondContact NE1-OD1 2.95Å; W838-D859 VanDerWaalsContact NE1-OD1 3.08Å; R842-D859 WeakPolarHBondContact CD-OD1 3.39Å; R842-D859 IonicContact CZ-OD1 3.56Å; R842-D859 IonicContact CZ-OD2 2.67Å; R842-D859 IonicContact NE-OD1 2.69Å; R842-D859 PolarHBondContact NE-OD1 3.48Å; R842-D859 IonicContact NE-OD2 3.58Å; R842-D859 PolarHBondContact NE-OD2 3.12Å; R842-D859 IonicContact NH2-OD2 3.67Å; R842-D859 PolarHBondContact NH2-OD2 3.31Å; R851-D859 IonicContact CZ-OD1 3.44Å; R851-D859 IonicContact CZ-OD2 2.69Å; R851-D859 VanDerWaalsContact CZ-OD2 3.27Å; R851-D859 IonicContact NH1-OD2 3.46Å; R851-D859 PolarHBondContact NH1-OD2 3.42Å; R851-D859 IonicContact NH2-OD1 3.55Å; R851-D859 PolarHBondContact NH2-OD1 3.12Å; R851-D859 IonicContact NH2-OD2 3.51Å; R851-D859 PolarHBondContact NH2-OD2 3.3Å; E856-D859 PolarHBondContact O-N 3.45Å; D859-R861 PolarHBondContact O-N 3.37Å; D859-W862 PolarHBondContact O-N 3Å; D859-E863 PolarHBondContact O-N 3.1Å
860	A	86.6	Confident	90.6	Very high	54 Å²	54	71.7 Å²	71.7	45%	0.446	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-39.4	176.7	0	0	0	0	0	113.1	I864	A860-I864 WeakPolarHBondContact O-CG1 3.45Å; A860-I864 PolarHBondContact O-N 3.05Å
861	R	90.5	Very high	90.8	Very high	99 Å²	99	70.9 Å²	70.9	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-42.8	174.7	-179.7	-171.1	62.1	-153.4	-18.9	111.1	S857 D858 D859 H865	S857-R861 WeakPolarHBondContact O-CB 3.42Å; S857-R861 PolarHBondContact O-N 3.13Å; D858-R861 PolarHBondContact O-N 3.39Å; D858-R861 IonicContact OD1-CZ 3.52Å; D858-R861 IonicContact OD1-NH1 2.69Å; D858-R861 IonicContact OD1-NH2 2.72Å; D858-R861 PolarHBondContact OD1-NH2 3.09Å; D859-R861 PolarHBondContact O-N 3.37Å; R861-H865 WeakPolarHBondContact O-CB 3.21Å; R861-H865 PolarHBondContact O-N 2.57Å
862	W	92.7	Very high	90.7	Very high	19 Å²	19	74.6 Å²	74.6	7%	0.072	38%	0.379	C	S	.	.	H	α-helix	trans	-80.3	-24.6	-176	-71.1	126.5	0	0	0	113.7	Q833 Y835 W838 D858 D859 H865 A866	Q833-W862 VanDerWaalsContact O-CH2 3.31Å; Q833-W862 WeakPolarHBondContact O-CH2 3.47Å; Y835-W862 HydrophobicContact CD2-CB 3.98Å; Y835-W862 AromaticContact CD2-CD2 3.91Å; Y835-W862 HydrophobicContact CD2-CD2 3.91Å; Y835-W862 AromaticContact CD2-CE3 3.56Å; Y835-W862 HydrophobicContact CD2-CE3 3.56Å; Y835-W862 HydrophobicContact CD2-CG 4.12Å; Y835-W862 HydrophobicContact CD2-CZ3 4.34Å; Y835-W862 HydrophobicContact CE2-CB 4Å; Y835-W862 HydrophobicContact CG-CE3 4.2Å; W838-W862 HydrophobicContact CB-CG 4.34Å; W838-W862 VanDerWaalsContact CB-NE1 3.32Å; W838-W862 AromaticContact CD1-CD1 3.31Å; W838-W862 AromaticContact CD1-NE1 3.67Å; W838-W862 HydrophobicContact CD2-CB 3.81Å; W838-W862 AromaticContact CD2-CD1 3.29Å; W838-W862 AromaticContact CD2-CG 3.67Å; W838-W862 HydrophobicContact CD2-CG 3.67Å; W838-W862 AromaticContact CD2-NE1 3.99Å; W838-W862 AromaticContact CE2-CD1 3.62Å; W838-W862 HydrophobicContact CE3-CB 3.74Å; W838-W862 AromaticContact CE3-CD1 3.97Å; W838-W862 AromaticContact CE3-CG 3.88Å; W838-W862 HydrophobicContact CE3-CG 3.88Å; W838-W862 AromaticContact CG-CD1 3.1Å; W838-W862 AromaticContact CG-CG 3.89Å; W838-W862 HydrophobicContact CG-CG 3.89Å; W838-W862 AromaticContact CG-NE1 3.35Å; W838-W862 HydrophobicContact CH2-CB 4.04Å; W838-W862 HydrophobicContact CZ2-CB 4.05Å; W838-W862 HydrophobicContact CZ3-CB 3.86Å; W838-W862 HydrophobicContact CZ3-CG 4.49Å; W838-W862 AromaticContact NE1-CD1 3.56Å; D858-W862 WeakPolarHBondContact O-CB 3.03Å; D858-W862 PolarHBondContact O-N 3.09Å; D859-W862 PolarHBondContact O-N 3Å; W862-H865 HydrophobicContact CE3-CB 3.7Å; W862-H865 AromaticContact CE3-CG 3.58Å; W862-H865 AromaticContact CE3-ND1 3.7Å; W862-H865 HydrophobicContact CZ3-CB 4.19Å; W862-H865 AromaticContact CZ3-CD2 3.74Å; W862-H865 AromaticContact CZ3-CE1 3.97Å; W862-H865 AromaticContact CZ3-CG 3.66Å; W862-H865 AromaticContact CZ3-ND1 3.8Å; W862-H865 AromaticContact CZ3-NE2 3.93Å; W862-A866 VanDerWaalsContact O-CB 3.25Å; W862-A866 WeakPolarHBondContact O-CB 3.47Å; W862-A866 PolarHBondContact O-N 2.84Å
863	E	90.4	Very high	90.4	Very high	103 Å²	103	76 Å²	76	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-49	167.7	-171.4	171.9	-143.7	0	0	111.1	D859 H865 A866 Y867 Y873	D859-E863 PolarHBondContact O-N 3.1Å; E863-H865 VanDerWaalsContact C-N 3.32Å; E863-H865 PolarHBondContact O-N 3.11Å; E863-A866 PolarHBondContact O-N 3.16Å; E863-Y867 WeakPolarHBondContact O-CB 3.43Å; E863-Y867 PolarHBondContact O-N 3.39Å; E863-Y873 VanDerWaalsContact CA-CE2 3.48Å; E863-Y873 HydrophobicContact CB-CD2 3.95Å; E863-Y873 HydrophobicContact CB-CE1 4.27Å; E863-Y873 HydrophobicContact CB-CE2 3.57Å; E863-Y873 HydrophobicContact CB-CG 4.42Å; E863-Y873 HydrophobicContact CG-CD1 4.19Å; E863-Y873 HydrophobicContact CG-CD2 4.27Å; E863-Y873 HydrophobicContact CG-CE1 4.16Å; E863-Y873 HydrophobicContact CG-CE2 4.22Å; E863-Y873 HydrophobicContact CG-CG 4.24Å
864	I	90.3	Very high	90	Very high	115 Å²	115	76.5 Å²	76.5	59%	0.59	39%	0.388	S	S	*	.	H	α-helix	trans	-60.7	-42.4	176.1	-65.8	167.9	0	0	0	111	A860 T868	A860-I864 WeakPolarHBondContact O-CG1 3.45Å; A860-I864 PolarHBondContact O-N 3.05Å; I864-T868 PolarHBondContact O-N 2.82Å; I864-T868 PolarHBondContact O-OG1 3.15Å
865	H	91.8	Very high	89.4	Confident	51 Å²	51	85 Å²	85	24%	0.236	42%	0.424	C	S	.	.	H	α-helix	trans	-62.1	-46.6	174.8	175.3	-86.9	0	0	0	112.2	Y835 R861 W862 E863 Y867 T868 H869	Y835-H865 AromaticContact CD2-ND1 3.87Å; Y835-H865 AromaticContact CG-ND1 3.9Å; R861-H865 WeakPolarHBondContact O-CB 3.21Å; R861-H865 PolarHBondContact O-N 2.57Å; W862-H865 HydrophobicContact CE3-CB 3.7Å; W862-H865 AromaticContact CE3-CG 3.58Å; W862-H865 AromaticContact CE3-ND1 3.7Å; W862-H865 HydrophobicContact CZ3-CB 4.19Å; W862-H865 AromaticContact CZ3-CD2 3.74Å; W862-H865 AromaticContact CZ3-CE1 3.97Å; W862-H865 AromaticContact CZ3-CG 3.66Å; W862-H865 AromaticContact CZ3-ND1 3.8Å; W862-H865 AromaticContact CZ3-NE2 3.93Å; E863-H865 VanDerWaalsContact C-N 3.32Å; E863-H865 PolarHBondContact O-N 3.11Å; H865-Y867 PolarHBondContact O-N 3.04Å; H865-T868 WeakPolarHBondContact CA-OG1 3.43Å; H865-T868 PolarHBondContact O-N 2.87Å; H865-T868 PolarHBondContact O-OG1 2.8Å; H865-T868 VanDerWaalsContact O-OG1 3.08Å; H865-H869 AromaticContact CD2-CE1 3.6Å; H865-H869 AromaticContact CD2-ND1 3.55Å; H865-H869 AromaticContact CG-ND1 3.87Å; H865-H869 AromaticContact NE2-CE1 3.77Å; H865-H869 AromaticContact NE2-ND1 3.67Å; H865-H869 WeakPolarHBondContact O-CB 3.32Å; H865-H869 PolarHBondContact O-N 3.12Å; H865-H869 PolarHBondContact O-ND1 2.82Å
866	A	92.6	Very high	88.8	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.008	42%	0.423	C	S	.	.	H	α-helix	trans	-62.3	-43	179.3	0	0	0	0	0	111.6	Y835 W862 E863 H869 N870 L871 Y873	Y835-A866 HydrophobicContact CE2-CB 4.01Å; Y835-A866 WeakPolarHBondContact OH-CB 3.09Å; W862-A866 VanDerWaalsContact O-CB 3.25Å; W862-A866 WeakPolarHBondContact O-CB 3.47Å; W862-A866 PolarHBondContact O-N 2.84Å; E863-A866 PolarHBondContact O-N 3.16Å; A866-H869 PolarHBondContact O-N 3.19Å; A866-N870 WeakPolarHBondContact O-CA 3.38Å; A866-N870 PolarHBondContact O-N 2.83Å; A866-L871 HydrophobicContact CB-CB 4.22Å; A866-L871 PolarHBondContact O-N 3.31Å; A866-Y873 HydrophobicContact CB-CD2 4.21Å
867	Y	93.1	Very high	88.6	Confident	203 Å²	203	81.6 Å²	81.6	80%	0.796	41%	0.408	S	S	*	.	H	α-helix	trans	-60.7	-49.4	174.4	179.5	-99.3	0	0	0	112.1	E863 H865 H869 N870	E863-Y867 WeakPolarHBondContact O-CB 3.43Å; E863-Y867 PolarHBondContact O-N 3.39Å; H865-Y867 PolarHBondContact O-N 3.04Å; Y867-H869 VanDerWaalsContact C-N 3.31Å; Y867-H869 PolarHBondContact O-N 3.22Å; Y867-N870 PolarHBondContact O-N 3.29Å
868	T	95	Very high	87.6	Confident	93 Å²	93	82.2 Å²	82.2	57%	0.571	41%	0.405	S	S	*	.	H	α-helix	trans	-66.8	-27.5	-179.1	41.6	0	0	0	0	114.3	I864 H865	I864-T868 PolarHBondContact O-N 2.82Å; I864-T868 PolarHBondContact O-OG1 3.15Å; H865-T868 WeakPolarHBondContact CA-OG1 3.43Å; H865-T868 PolarHBondContact O-N 2.87Å; H865-T868 PolarHBondContact O-OG1 2.8Å; H865-T868 VanDerWaalsContact O-OG1 3.08Å
869	H	92.7	Very high	86.3	Confident	112 Å²	112	87.8 Å²	87.8	52%	0.519	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	8.2	179.5	-62.1	80.4	0	0	0	113.5	H865 A866 Y867 L871	H865-H869 AromaticContact CD2-CE1 3.6Å; H865-H869 AromaticContact CD2-ND1 3.55Å; H865-H869 AromaticContact CG-ND1 3.87Å; H865-H869 AromaticContact NE2-CE1 3.77Å; H865-H869 AromaticContact NE2-ND1 3.67Å; H865-H869 WeakPolarHBondContact O-CB 3.32Å; H865-H869 PolarHBondContact O-N 3.12Å; H865-H869 PolarHBondContact O-ND1 2.82Å; A866-H869 PolarHBondContact O-N 3.19Å; Y867-H869 VanDerWaalsContact C-N 3.31Å; Y867-H869 PolarHBondContact O-N 3.22Å; H869-L871 VanDerWaalsContact C-N 3.29Å; H869-L871 HydrophobicContact CB-CD1 4Å; H869-L871 HydrophobicContact CB-CG 3.9Å; H869-L871 PolarHBondContact O-N 3.47Å
870	N	92.9	Very high	84.5	Confident	153 Å²	153	89.5 Å²	89.5	82%	0.818	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	44.1	-178.3	-163.6	92	0	0	0	112.9	A866 Y867	A866-N870 WeakPolarHBondContact O-CA 3.38Å; A866-N870 PolarHBondContact O-N 2.83Å; Y867-N870 PolarHBondContact O-N 3.29Å
871	L	92.4	Very high	82.7	Confident	80 Å²	80	92.7 Å²	92.7	42%	0.419	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-99.1	157.4	176.5	-54	175.4	0	0	0	110.7	Y835 A866 H869 Y873	Y835-L871 HydrophobicContact CD1-CD1 3.64Å; Y835-L871 HydrophobicContact CE1-CB 3.99Å; Y835-L871 HydrophobicContact CE1-CD1 3.87Å; Y835-L871 HydrophobicContact CG-CD1 4.33Å; A866-L871 HydrophobicContact CB-CB 4.22Å; A866-L871 PolarHBondContact O-N 3.31Å; H869-L871 VanDerWaalsContact C-N 3.29Å; H869-L871 HydrophobicContact CB-CD1 4Å; H869-L871 HydrophobicContact CB-CG 3.9Å; H869-L871 PolarHBondContact O-N 3.47Å; L871-Y873 PolarHBondContact O-N 2.84Å
872	V	88.3	Confident	80.6	Confident	125 Å²	125	91.5 Å²	91.5	76%	0.758	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-75.2	120.7	175.2	-179.6	0	0	0	0	109.8	Y835	Y835-V872 PolarHBondContact OH-O 2.85Å
873	Y	87	Confident	78.5	Confident	54 Å²	54	95.5 Å²	95.5	21%	0.212	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-96.3	117.9	169.3	-172.8	-97.2	0	0	0	110.3	Y835 W838 E863 A866 L871	Y835-Y873 WeakPolarHBondContact OH-CA 3.21Å; W838-Y873 AromaticContact CH2-CD2 3.91Å; W838-Y873 HydrophobicContact CH2-CD2 3.91Å; W838-Y873 AromaticContact CH2-CE2 3.32Å; W838-Y873 HydrophobicContact CH2-CE2 3.32Å; W838-Y873 HydrophobicContact CZ2-CE2 4.02Å; W838-Y873 HydrophobicContact CZ3-CD2 4.34Å; W838-Y873 HydrophobicContact CZ3-CE2 4.13Å; E863-Y873 VanDerWaalsContact CA-CE2 3.48Å; E863-Y873 HydrophobicContact CB-CD2 3.95Å; E863-Y873 HydrophobicContact CB-CE1 4.27Å; E863-Y873 HydrophobicContact CB-CE2 3.57Å; E863-Y873 HydrophobicContact CB-CG 4.42Å; E863-Y873 HydrophobicContact CG-CD1 4.19Å; E863-Y873 HydrophobicContact CG-CD2 4.27Å; E863-Y873 HydrophobicContact CG-CE1 4.16Å; E863-Y873 HydrophobicContact CG-CE2 4.22Å; E863-Y873 HydrophobicContact CG-CG 4.24Å; A866-Y873 HydrophobicContact CB-CD2 4.21Å; L871-Y873 PolarHBondContact O-N 2.84Å
874	P	85.6	Confident	76.6	Confident	26 Å²	26	97 Å²	97	17%	0.169	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-73.1	139.5	-178.4	-17.2	32.1	0	0	0	113	L839 F877	L839-P874 HydrophobicContact CD2-CG 3.59Å; P874-F877 HydrophobicContact CB-CD2 4.32Å; P874-F877 HydrophobicContact CB-CE1 4.23Å; P874-F877 HydrophobicContact CB-CE2 3.85Å; P874-F877 HydrophobicContact CB-CZ 3.81Å; P874-F877 HydrophobicContact CG-CE1 4.43Å; P874-F877 HydrophobicContact CG-CE2 3.79Å; P874-F877 HydrophobicContact CG-CZ 3.64Å
875	K	78.3	Confident	74.6	Confident	194 Å²	194	97.8 Å²	97.8	84%	0.843	51%	0.51	S	S	*	.	S	Bend	trans	-104.4	4.1	-178.1	-61.6	-167.9	175.6	-167.5	0	114.4
876	H	76.1	Confident	72.5	Confident	107 Å²	107	103 Å²	103	50%	0.495	54%	0.536	S	S	.	.			trans	-100.7	-1.4	-175.4	68.8	-83.2	0	0	0	114	E843	E843-H876 IonicContact OE2-CD2 2.7Å; E843-H876 IonicContact OE2-CE1 3.21Å; E843-H876 IonicContact OE2-NE2 2.63Å; E843-H876 PolarHBondContact OE2-NE2 3.29Å
877	F	80.9	Confident	70.5	Confident	20 Å²	20	112.1 Å²	112.1	9%	0.088	58%	0.578	C	S	.	*	S	Bend	trans	-64.4	137.2	178.1	-63.5	-36.6	0	0	0	111.1	W838 L839 R842 E843 T846 P874 M879	W838-F877 HydrophobicContact CH2-CD2 4.28Å; W838-F877 AromaticContact CH2-CE2 3.68Å; W838-F877 HydrophobicContact CH2-CE2 3.68Å; W838-F877 HydrophobicContact CZ2-CD2 4.45Å; W838-F877 HydrophobicContact CZ2-CE2 4.15Å; W838-F877 HydrophobicContact CZ3-CE2 4.21Å; L839-F877 HydrophobicContact CD2-CE2 4.15Å; L839-F877 HydrophobicContact CD2-CZ 3.86Å; R842-F877 HydrophobicContact CB-CD1 3.91Å; R842-F877 HydrophobicContact CB-CD2 3.89Å; R842-F877 HydrophobicContact CB-CE1 3.74Å; R842-F877 HydrophobicContact CB-CE2 3.7Å; R842-F877 HydrophobicContact CB-CG 3.98Å; R842-F877 HydrophobicContact CB-CZ 3.62Å; R842-F877 HydrophobicContact CG-CD2 4.36Å; R842-F877 HydrophobicContact CG-CE2 4.24Å; E843-F877 HydrophobicContact CB-CE1 4.26Å; T846-F877 WeakPolarHBondContact OG1-CA 3.27Å; P874-F877 HydrophobicContact CB-CD2 4.32Å; P874-F877 HydrophobicContact CB-CE1 4.23Å; P874-F877 HydrophobicContact CB-CE2 3.85Å; P874-F877 HydrophobicContact CB-CZ 3.81Å; P874-F877 HydrophobicContact CG-CE1 4.43Å; P874-F877 HydrophobicContact CG-CE2 3.79Å; P874-F877 HydrophobicContact CG-CZ 3.64Å; F877-M879 PolarHBondContact O-N 2.94Å
878	I	65.3	Low	68.3	Low	81 Å²	81	111.3 Å²	111.3	42%	0.415	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-65.9	120.4	175	-68.7	166.6	0	0	0	108.4	R842 T846	R842-I878 PolarHBondContact NH2-O 3.42Å; T846-I878 HydrophobicContact CG2-CD1 4.32Å; T846-I878 HydrophobicContact CG2-CG1 4.18Å; T846-I878 PolarHBondContact OG1-N 3.28Å
879	M	60.7	Low	65.5	Low	144 Å²	144	114 Å²	114	71%	0.709	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-77	133.4	162.2	-52.8	-139.8	75.7	0	0	107.4	F877	F877-M879 PolarHBondContact O-N 2.94Å
880	A	52.1	Low	63.2	Low	46 Å²	46	117.2 Å²	117.2	38%	0.38	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-62.9	141	175.3	0	0	0	0	0	109.5	N882	A880-N882 PolarHBondContact O-N 3.49Å
881	P	47.8	Very low	61.7	Low	120 Å²	120	115.4 Å²	115.4	78%	0.779	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-63	120.8	167.2	27.7	-32.3	0	0	0	107.9	P883	P881-P883 VanDerWaalsContact O-CD 3.31Å; P881-P883 WeakPolarHBondContact O-CD 3.41Å
882	N	46.5	Very low	60.1	Low	75 Å²	75	117.3 Å²	117.3	40%	0.401	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-65.9	118.1	177.1	-178	27.5	0	0	0	108.9	A880 D884 D885	A880-N882 PolarHBondContact O-N 3.49Å; N882-D884 PolarHBondContact O-N 3.42Å; N882-D885 HydrophobicContact CB-CB 4.41Å; N882-D885 VanDerWaalsContact CB-OD2 3.23Å; N882-D885 WeakPolarHBondContact CB-OD2 3.22Å; N882-D885 PolarHBondContact ND2-OD1 2.8Å; N882-D885 PolarHBondContact ND2-OD2 2.96Å; N882-D885 PolarHBondContact O-N 3.23Å
883	P	48.8	Very low	58.6	Low	102 Å²	102	116.8 Å²	116.8	66%	0.662	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-62.9	-27.4	-178	-23.1	35.2	0	0	0	112.9	P881 D885	P881-P883 VanDerWaalsContact O-CD 3.31Å; P881-P883 WeakPolarHBondContact O-CD 3.41Å; P883-D885 VanDerWaalsContact C-N 3.28Å; P883-D885 PolarHBondContact O-N 2.83Å
884	D	49.9	Very low	56.9	Low	136 Å²	136	120.5 Å²	120.5	73%	0.727	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-74.9	-15.5	-176.7	-59.4	-11.9	0	0	0	112.6	N882 M886	N882-D884 PolarHBondContact O-N 3.42Å; D884-M886 VanDerWaalsContact C-N 3.25Å; D884-M886 PolarHBondContact O-N 3.09Å
885	D	49.8	Very low	55.1	Low	130 Å²	130	126.4 Å²	126.4	70%	0.695	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-87.7	20	176.7	-65.9	-37	0	0	0	113	N882 P883	N882-D885 HydrophobicContact CB-CB 4.41Å; N882-D885 VanDerWaalsContact CB-OD2 3.23Å; N882-D885 WeakPolarHBondContact CB-OD2 3.22Å; N882-D885 PolarHBondContact ND2-OD1 2.8Å; N882-D885 PolarHBondContact ND2-OD2 2.96Å; N882-D885 PolarHBondContact O-N 3.23Å; P883-D885 VanDerWaalsContact C-N 3.28Å; P883-D885 PolarHBondContact O-N 2.83Å
886	M	47	Very low	53.5	Low	162 Å²	162	121.9 Å²	121.9	80%	0.798	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-123.2	7.7	-178.7	-74.8	-101.4	-65	0	0	114.4	D884	D884-M886 VanDerWaalsContact C-N 3.25Å; D884-M886 PolarHBondContact O-N 3.09Å
887	E	50.5	Low	51.9	Low	191 Å²	191	123 Å²	123	89%	0.893	67%	0.67	S	S	*	*	S	Bend	trans	-117.2	34.1	176	-67.9	-159.2	154.2	0	0	114.4
888	E	47.1	Very low	49.7	Very low	186 Å²	186	130.9 Å²	130.9	87%	0.869	72%	0.715	S	S	*	*			trans	-125.3	134.2	153.5	-64.2	-170.7	157.4	0	0	106
889	D	36.6	Very low	48.4	Very low	149 Å²	149	135.1 Å²	135.1	80%	0.797	74%	0.74	S	S	*	*			cis	-166.9	166.4	21.4	-175	56.5	0	0	0	107.8
890	P	44.3	Very low	47.3	Very low	180 Å²	180	134.3 Å²	134.3	100%	1.169	74%	0.743	S	S	*	*			cis	-112.6	0	-44.3	35.9	-24.6	0	0	0	114.6

Retrieved 890 of 890 residues in 301.4 ms (Link to these results)

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