A0A087XM52_POEFO Loading...

Dipeptidyl-peptidase 6b

AlphaFold DB , UniProt , Accession A0A087XM52, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 812 aa.

						>A0A087XM52_POEFO|A0A087XM52
MASLYQRFTGKINTTNSFPHPPEASHLLGGQVADEENGTKPSHQGAEGRAHVQYRKKCLREDEDDLVGSAPPQRNWKGIAIALLVILIICSLIVTSVILLTPSEDDSLAHKKKVTVEDIFGADLRIHDPDAKWLSDKDLLYRSRDGNVLRLNVETQKEDTIVPSQLFERSKAARYQLSPDMKHVLFAFDVKPIYQYSFLAKYIIYSLVTQESWPLNPPEVNEAVLQYAGWGPQGQQLIFIFESNIYYRATLDTRSIRLVSTGKDGVIFNGLTDWLYEEEILQTHIAHWWSPDGLRLAYMTINDTLVPKMEVPYFTGTPYPGSQDYHYPKVGEENPVVHLSVVSLHGPLHTVVMKKPDDPRIGREYYITMVKWATNTKLAVNWLNRAQNNSILTLCETTTGVCIKKHEDESNSWLHRQNEPPLFSKDGHKFFFTRAIPQGGRGKFFHISVSTSLPNTSTDILHSLTSGNWDVTSILAYRHEKNLIYFLSTEDDPKRRHLYSSDTIAPFNRCCLSCEFKCGYVDVSFSHNMEYFLLSCKGPDIPSVAVYRTRDKEKVFDVETNKRVNDTYNNMQMPKVENKTITIDDYTLTMQILKPAGFTSTAHYPLLLIVDGTPGGQMVTEQFRVDWATVLVSSFSTIVIRFDGHGSGFQGTNLLHKVRRRLGKLEERDQMEALRFISKEPYIDKNRMGVYGKAYGGYLATMLLSSEEFTQLKCGAAVSPITDFELYASAFSERYLGPKTDSRVYAMANLAHRAGRLLEKQFLIIHPTADEKVHFQHTAKFINHLISEKANYTLQVSFCYCSCLFFMKTFFF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	30	Very low	244 Å²	244	147.4 Å²	147.4	100%	1.202	77%	0.771	S	S	*	*				0	140.2	0	-65.9	-168.5	-79.9	0	0	107.1
2	A	28.9	Very low	30.1	Very low	80 Å²	80	150 Å²	150	66%	0.661	78%	0.783	S	S	*	*			cis	-180	112	-5.3	0	0	0	0	0	102.2
3	S	28.5	Very low	30	Very low	96 Å²	96	150.2 Å²	150.2	67%	0.671	79%	0.786	S	S	*	*				61.4	110.6	90.6	81.4	0	0	0	0	111.6
4	L	30.7	Very low	30.2	Very low	131 Å²	131	148.5 Å²	148.5	69%	0.686	79%	0.785	S	S	*	*				154.3	160	96.4	-82.3	152.7	0	0	0	106.2
5	Y	30.4	Very low	30.1	Very low	177 Å²	177	147.2 Å²	147.2	69%	0.694	79%	0.785	S	S	*	*			cis	-149.8	133.8	11.4	-113.7	-67.2	0	0	0	105
6	Q	32.4	Very low	30.2	Very low	143 Å²	143	146.9 Å²	146.9	67%	0.668	78%	0.784	S	S	*	*				42.1	136.8	75.9	-93.4	-167.7	13	0	0	113.9
7	R	31.4	Very low	30.3	Very low	172 Å²	172	144.7 Å²	144.7	65%	0.649	78%	0.783	S	S	*	*			cis	-164.5	-179	30.1	-101	148.3	-179.2	-148.3	-3.6	107.2
8	F	29.6	Very low	30.3	Very low	159 Å²	159	147.8 Å²	147.8	70%	0.697	79%	0.788	S	S	*	*			cis	-136.9	124.7	1.8	-81.4	-72.6	0	0	0	106.4
9	T	29.3	Very low	30.7	Very low	127 Å²	127	146.5 Å²	146.5	78%	0.779	79%	0.788	S	S	*	*				52.1	116.9	90.6	68.2	0	0	0	0	118.1
10	G	26.3	Very low	30.8	Very low	84 Å²	84	148.2 Å²	148.2	87%	0.866	79%	0.791	S	S	*	*			trans	-138.3	111.3	151.1	0	0	0	0	0	109.8
11	K	29.5	Very low	31	Very low	208 Å²	208	146.2 Å²	146.2	90%	0.904	79%	0.786	S	S	*	*			trans	-101.7	130.7	170.8	-86.4	-173.5	172.8	-174.7	0	108.7
12	I	32.3	Very low	31.3	Very low	179 Å²	179	140.9 Å²	140.9	92%	0.918	77%	0.77	S	S	*	*			trans	-132.1	152.2	156.9	-65.1	-173.8	0	0	0	108.6
13	N	27.8	Very low	31.4	Very low	153 Å²	153	146 Å²	146	82%	0.818	78%	0.78	S	S	*	*			trans	-71.1	152	-156.1	-99.1	-19.8	0	0	0	117.2
14	T	33.5	Very low	31.5	Very low	126 Å²	126	145.8 Å²	145.8	77%	0.773	78%	0.784	S	S	*	*			trans	-70.3	132.7	159.6	47.9	0	0	0	0	112.4
15	T	28.9	Very low	31.5	Very low	129 Å²	129	144.4 Å²	144.4	79%	0.791	79%	0.785	S	S	*	*			trans	-163.7	153.6	148.4	12.1	0	0	0	0	110.9
16	N	31.1	Very low	31.5	Very low	142 Å²	142	143.8 Å²	143.8	76%	0.759	79%	0.788	S	S	*	*			trans	83.7	80.3	168.6	-57.1	-5.7	0	0	0	118.8
17	S	31.9	Very low	31.4	Very low	110 Å²	110	145.2 Å²	145.2	77%	0.769	80%	0.8	S	S	*	*				51	108.5	121.9	60.4	0	0	0	0	120.6
18	F	30	Very low	31.4	Very low	201 Å²	201	144.6 Å²	144.6	88%	0.882	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-71.2	148.1	152.8	-68.4	-96.3	0	0	0	111.9
19	P	38	Very low	31.3	Very low	122 Å²	122	141 Å²	141	79%	0.792	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-98.8	132.9	148.4	32.1	-24	0	0	0	111.2
20	H	33.8	Very low	31.2	Very low	180 Å²	180	138.8 Å²	138.8	83%	0.833	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-83.2	163	169.4	-95.5	-73.8	0	0	0	111.4
21	P	35.1	Very low	31.4	Very low	107 Å²	107	144.1 Å²	144.1	70%	0.695	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-83.6	162.6	-172.6	35.6	-36.9	0	0	0	113.3
22	P	37.7	Very low	31.3	Very low	132 Å²	132	141.5 Å²	141.5	86%	0.857	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-89.6	140.1	165.7	34.4	-30.4	0	0	0	112.2
23	E	31.1	Very low	31.2	Very low	189 Å²	189	136.3 Å²	136.3	88%	0.883	81%	0.806	S	S	*	*			trans	-119.5	150.2	173.4	-110.7	-172.9	165.4	0	0	111.3
24	A	30	Very low	31.3	Very low	91 Å²	91	136.3 Å²	136.3	75%	0.752	81%	0.806	S	S	*	*			trans	64.3	150.8	161.4	0	0	0	0	0	117.7
25	S	30.6	Very low	31.1	Very low	102 Å²	102	139.7 Å²	139.7	71%	0.713	81%	0.813	S	S	*	*			cis	-155.6	149.2	30	-57	0	0	0	0	114.4
26	H	31.4	Very low	31.1	Very low	163 Å²	163	141.7 Å²	141.7	76%	0.755	81%	0.813	S	S	*	*			trans	28.7	132.6	143.2	-69	-87.9	0	0	0	122.5
27	L	29.9	Very low	31	Very low	174 Å²	174	142.8 Å²	142.8	91%	0.911	82%	0.819	S	S	*	*				-159.2	133	108.9	-105.6	164	0	0	0	111.8
28	L	30.9	Very low	30.7	Very low	158 Å²	158	140.4 Å²	140.4	83%	0.827	81%	0.812	S	S	*	*			trans	-96.6	139.4	174.9	-75.7	155.6	0	0	0	109.3
29	G	28.4	Very low	30.6	Very low	84 Å²	84	138.1 Å²	138.1	87%	0.866	82%	0.815	S	S	*	*			trans	-119.2	104.7	171	0	0	0	0	0	110.7
30	G	27.5	Very low	30.2	Very low	80 Å²	80	141.7 Å²	141.7	83%	0.825	82%	0.818	S	S	*	*			trans	-98.4	148.3	176	0	0	0	0	0	112.5
31	Q	29.2	Very low	31	Very low	197 Å²	197	138.3 Å²	138.3	92%	0.921	81%	0.812	S	S	*	*			trans	-84.9	139.2	170.6	-59.8	165.3	-74.5	0	0	110.8
32	V	28.2	Very low	30.6	Very low	152 Å²	152	138.2 Å²	138.2	92%	0.921	81%	0.814	S	S	*	*			trans	-144.9	153.3	144.8	-176	0	0	0	0	107.5
33	A	29.8	Very low	30.1	Very low	70 Å²	70	140.3 Å²	140.3	58%	0.579	81%	0.812	S	S	*	*			trans	-107.2	176	-169.1	0	0	0	0	0	114.5
34	D	30	Very low	30	Very low	153 Å²	153	140.7 Å²	140.7	82%	0.818	81%	0.814	S	S	*	*			trans	59.6	119.3	153.9	-53	-27.4	0	0	0	120.9
35	E	28.6	Very low	29.8	Very low	198 Å²	198	139.5 Å²	139.5	93%	0.925	81%	0.81	S	S	*	*				-165.9	168.6	101.8	-116.8	-177.7	-179.3	0	0	113.3
36	E	30	Very low	29.8	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.794	81%	0.814	S	S	*	*			trans	-76.5	147.9	-169.4	-55.8	176.7	112.5	0	0	114.9
37	N	28.6	Very low	29.7	Very low	165 Å²	165	140.4 Å²	140.4	88%	0.882	82%	0.82	S	S	*	*				-174.7	147.8	110.5	-104.1	-71.5	0	0	0	112.3
38	G	26.6	Very low	29.6	Very low	60 Å²	60	135.2 Å²	135.2	62%	0.619	81%	0.809	S	S	*	*			trans	-106	160.2	-175	0	0	0	0	0	114.7
39	T	28.1	Very low	29.5	Very low	153 Å²	153	139.4 Å²	139.4	94%	0.939	81%	0.813	S	S	*	*			trans	-168.4	143.3	139.8	11.4	0	0	0	0	112.2
40	K	27.9	Very low	29.6	Very low	197 Å²	197	138.9 Å²	138.9	86%	0.857	80%	0.801	S	S	*	*			trans	-87.3	178.5	163.7	-93.3	-178.6	178.3	176.1	0	109.2
41	P	51.6	Low	29.8	Very low	109 Å²	109	143.5 Å²	143.5	71%	0.708	80%	0.801	S	S	*	*			cis	-134.2	-174.3	-38.4	37.7	-21.4	0	0	0	111.5
42	S	25.9	Very low	29.9	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	79%	0.788	S	S	*	*				163.5	146.1	119.2	56.9	0	0	0	0	115.8
43	H	28	Very low	30	Very low	177 Å²	177	140.4 Å²	140.4	82%	0.819	78%	0.784	S	S	*	*			trans	22.4	123.4	147.5	-69.1	-76.5	0	0	0	122.9
44	Q	29.2	Very low	30	Very low	197 Å²	197	146.4 Å²	146.4	92%	0.921	79%	0.792	S	S	*	*				161.3	143.7	117.3	-86.2	169.3	11.7	0	0	107.7
45	G	25.6	Very low	29.9	Very low	66 Å²	66	151 Å²	151	68%	0.68	80%	0.798	S	S	*	*			cis	127.6	118.2	2.6	0	0	0	0	0	110.5
46	A	29.9	Very low	29.9	Very low	97 Å²	97	149.7 Å²	149.7	80%	0.802	79%	0.79	S	S	*	*			trans	67.7	156.8	177.1	0	0	0	0	0	115
47	E	29.2	Very low	29.9	Very low	186 Å²	186	151.2 Å²	151.2	87%	0.869	79%	0.794	S	S	*	*			cis	-163	172.4	-10.6	-124.3	-179.4	151.3	0	0	109.9
48	G	28.6	Very low	29.9	Very low	66 Å²	66	148.8 Å²	148.8	68%	0.68	79%	0.788	S	S	*	*			trans	116.2	97.3	167.9	0	0	0	0	0	114.2
49	R	29.3	Very low	30.1	Very low	245 Å²	245	154.6 Å²	154.6	93%	0.925	80%	0.804	S	S	*	*				53.3	132	67.6	-84.1	-177.8	174.4	169.6	-0.9	113.4
50	A	30	Very low	30.2	Very low	74 Å²	74	158.2 Å²	158.2	61%	0.612	80%	0.801	S	S	*	*			cis	-165.8	167	3.9	0	0	0	0	0	114.3
51	H	31.3	Very low	30.5	Very low	177 Å²	177	156 Å²	156	82%	0.819	79%	0.793	S	S	*	*			trans	58.2	155	143.2	-73.3	-56.5	0	0	0	121.7
52	V	32	Very low	29.7	Very low	105 Å²	105	159 Å²	159	64%	0.636	80%	0.803	S	S	*	*			cis	-174.8	143.1	-35.5	115.1	0	0	0	0	108.1
53	Q	30.2	Very low	30.2	Very low	179 Å²	179	163 Å²	163	84%	0.836	81%	0.811	S	S	*	*			trans	163.3	111.8	139.8	-92.7	170.9	-5.5	0	0	110
54	Y	28.7	Very low	30.7	Very low	195 Å²	195	162 Å²	162	77%	0.765	81%	0.811	S	S	*	*				74.2	106.8	79.1	-104	-83	0	0	0	116.5
55	R	28.5	Very low	30.8	Very low	250 Å²	250	160.5 Å²	160.5	94%	0.943	81%	0.809	S	S	*	*			trans	-152.8	133.1	130.6	-150.8	166.8	-175.1	168.8	1.3	112.2
56	K	29.4	Very low	31.6	Very low	171 Å²	171	164.3 Å²	164.3	74%	0.743	81%	0.813	S	S	*	*			trans	-76.3	151.2	-179.5	-76.3	176.3	166.2	-178.9	0	112.9
57	K	29.2	Very low	32.4	Very low	202 Å²	202	166.4 Å²	166.4	88%	0.878	82%	0.816	S	S	*	*				-153.9	107.1	127.6	-123.9	179.3	-179.2	-176.4	0	113.1
58	C	28.3	Very low	32.7	Very low	113 Å²	113	161.2 Å²	161.2	76%	0.764	81%	0.813	S	S	*	*			trans	28.6	119.2	138.5	-51.6	0	0	0	0	121.3
59	L	31.1	Very low	33.7	Very low	182 Å²	182	164.1 Å²	164.1	95%	0.953	82%	0.822	S	S	*	*			trans	-124	162.1	132.2	-94.8	166.1	0	0	0	108.7
60	R	30.9	Very low	34.6	Very low	230 Å²	230	156.6 Å²	156.6	87%	0.868	81%	0.812	S	S	*	*			trans	-92.4	169.1	-162.8	-122.4	174.4	168.4	163.6	-7.5	113.6
61	E	34.4	Very low	35.7	Very low	151 Å²	151	158.8 Å²	158.8	71%	0.706	82%	0.821	S	S	*	*			trans	-58.6	154.3	177.5	-60.1	110.2	152.4	0	0	114.1
62	D	33.6	Very low	36.8	Very low	171 Å²	171	156.1 Å²	156.1	91%	0.914	82%	0.819	S	S	*	*				-148.7	155.6	120	-91.8	-34	0	0	0	108.5
63	E	36.2	Very low	38.2	Very low	190 Å²	190	160.1 Å²	160.1	89%	0.888	83%	0.831	S	S	*	*			trans	-90.4	178.9	-159.6	-66.3	-173.4	131.8	0	0	116.2
64	D	38.4	Very low	39.8	Very low	155 Å²	155	160.9 Å²	160.9	83%	0.829	83%	0.826	S	S	*	*			trans	-59.4	157	-176.3	-63.5	-67.4	0	0	0	115.7
65	D	32.5	Very low	41.7	Very low	165 Å²	165	156.8 Å²	156.8	88%	0.882	82%	0.817	S	S	*	*				-153.5	157.6	129.3	-134.8	-22.9	0	0	0	114
66	L	41.9	Very low	43.7	Very low	147 Å²	147	154.3 Å²	154.3	77%	0.77	81%	0.808	S	S	*	*			trans	-97	137.2	-163.6	-82.4	157.1	0	0	0	115.5
67	V	46.6	Very low	45.9	Very low	140 Å²	140	154 Å²	154	85%	0.848	81%	0.807	S	S	*	*			trans	52.9	113.9	149.3	-173.3	0	0	0	0	119
68	G	35.1	Very low	48.1	Very low	78 Å²	78	146.1 Å²	146.1	80%	0.804	78%	0.782	S	S	*	*			trans	-164	107	162.9	0	0	0	0	0	113.4
69	S	50.5	Low	50.5	Low	127 Å²	127	144.5 Å²	144.5	89%	0.888	77%	0.765	S	S	*	*			trans	-84.9	113.6	-174.6	53.9	0	0	0	0	113.8
70	A	48.4	Very low	52.7	Low	86 Å²	86	138.6 Å²	138.6	71%	0.711	74%	0.743	S	S	*	*			trans	-150.5	144.3	159.7	0	0	0	0	0	110.4
71	P	53.4	Low	55.2	Low	121 Å²	121	133 Å²	133	79%	0.786	73%	0.729	S	S	*	*			trans	-75	131.3	-176.2	29.7	-34	0	0	0	111.5	Q73	P71-Q73 PolarHBondContact O-N 3.15Å; P71-Q73 VanDerWaalsContact O-N 3.15Å
72	P	53.8	Low	57.4	Low	120 Å²	120	128.2 Å²	128.2	78%	0.779	72%	0.716	S	S	*	*			trans	-71.2	113.1	177	27.7	-32.9	0	0	0	110.4	R74	P72-R74 PolarHBondContact O-N 2.95Å
73	Q	61.9	Low	59.8	Low	190 Å²	190	125.4 Å²	125.4	89%	0.888	70%	0.7	S	S	*	*			trans	-58.6	105.7	166	-80.6	-172.6	-20.1	0	0	109.1	P71 N75	P71-Q73 PolarHBondContact O-N 3.15Å; P71-Q73 VanDerWaalsContact O-N 3.15Å; Q73-N75 PolarHBondContact O-N 2.79Å
74	R	63.7	Low	62.3	Low	194 Å²	194	121.4 Å²	121.4	73%	0.732	68%	0.684	S	S	*	*			trans	-58.6	116.6	169.9	-74.3	173.1	81.7	159.3	2.6	107.7	P72 W76	P72-R74 PolarHBondContact O-N 2.95Å; R74-W76 PolarHBondContact O-N 3.06Å
75	N	67.1	Low	64.7	Low	110 Å²	110	117.4 Å²	117.4	59%	0.588	67%	0.665	S	S	*	*			trans	-73.2	78.2	178.1	-172.2	-8.8	0	0	0	110	Q73 K77 G78 I79	Q73-N75 PolarHBondContact O-N 2.79Å; N75-K77 PolarHBondContact O-N 3.15Å; N75-K77 VanDerWaalsContact O-N 3.17Å; N75-K77 PolarHBondContact OD1-N 3Å; N75-G78 PolarHBondContact O-N 3.14Å; N75-G78 PolarHBondContact OD1-N 2.95Å; N75-G78 VanDerWaalsContact OD1-N 3.15Å; N75-I79 PolarHBondContact O-N 3.41Å; N75-I79 VanDerWaalsContact O-N 3.14Å
76	W	71.7	Confident	67.4	Low	197 Å²	197	114.1 Å²	114.1	75%	0.746	65%	0.647	S	S	*	*	H	α-helix	trans	-55.6	-29.7	179.2	-90	71.3	0	0	0	112.4	R74 I79 A80	R74-W76 PolarHBondContact O-N 3.06Å; W76-I79 PolarHBondContact O-N 3.17Å; W76-A80 VanDerWaalsContact O-CB 3.27Å; W76-A80 WeakPolarHBondContact O-CB 3.38Å; W76-A80 PolarHBondContact O-N 3.44Å
77	K	74.5	Confident	69.7	Low	165 Å²	165	113 Å²	113	72%	0.717	64%	0.641	S	S	*	*	H	α-helix	trans	-65	-44.9	174.3	-63.9	-178.1	176.9	-179.2	0	111.3	N75 A80 I81	N75-K77 PolarHBondContact O-N 3.15Å; N75-K77 VanDerWaalsContact O-N 3.17Å; N75-K77 PolarHBondContact OD1-N 3Å; K77-A80 PolarHBondContact O-N 2.94Å; K77-I81 WeakPolarHBondContact O-CB 3.22Å; K77-I81 WeakPolarHBondContact O-CD1 3.28Å; K77-I81 WeakPolarHBondContact O-CG1 3.47Å; K77-I81 PolarHBondContact O-N 2.95Å
78	G	75.7	Confident	71.8	Confident	36 Å²	36	110.6 Å²	110.6	37%	0.371	62%	0.622	S	S	.	*	H	α-helix	trans	-62	-41.5	174.7	0	0	0	0	0	113.1	N75 I81 A82	N75-G78 PolarHBondContact O-N 3.14Å; N75-G78 PolarHBondContact OD1-N 2.95Å; N75-G78 VanDerWaalsContact OD1-N 3.15Å; G78-I81 PolarHBondContact O-N 2.95Å; G78-A82 WeakPolarHBondContact O-CB 3.27Å; G78-A82 PolarHBondContact O-N 3.49Å
79	I	78.5	Confident	74.5	Confident	79 Å²	79	111 Å²	111	41%	0.405	61%	0.605	S	S	.	*	H	α-helix	trans	-66.9	-42.6	177.2	-63.6	169.5	0	0	0	111.2	N75 W76 A82 L83	N75-I79 PolarHBondContact O-N 3.41Å; N75-I79 VanDerWaalsContact O-N 3.14Å; W76-I79 PolarHBondContact O-N 3.17Å; I79-A82 PolarHBondContact O-N 2.88Å; I79-L83 HydrophobicContact CG2-CD1 4.12Å; I79-L83 PolarHBondContact O-N 3.4Å
80	A	77.8	Confident	76.2	Confident	59 Å²	59	108 Å²	108	49%	0.488	58%	0.584	S	S	.	*	H	α-helix	trans	-64.6	-41.3	177	0	0	0	0	0	112.1	W76 K77 L83 L84	W76-A80 VanDerWaalsContact O-CB 3.27Å; W76-A80 WeakPolarHBondContact O-CB 3.38Å; W76-A80 PolarHBondContact O-N 3.44Å; K77-A80 PolarHBondContact O-N 2.94Å; A80-L83 PolarHBondContact O-N 3.37Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 2.89Å
81	I	83	Confident	78.1	Confident	111 Å²	111	107 Å²	107	57%	0.569	57%	0.572	S	S	*	*	H	α-helix	trans	-64.4	-44.5	174.9	-67.8	163.6	0	0	0	110.5	K77 G78 L83 L84 V85	K77-I81 WeakPolarHBondContact O-CB 3.22Å; K77-I81 WeakPolarHBondContact O-CD1 3.28Å; K77-I81 WeakPolarHBondContact O-CG1 3.47Å; K77-I81 PolarHBondContact O-N 2.95Å; G78-I81 PolarHBondContact O-N 2.95Å; I81-L83 PolarHBondContact O-N 2.94Å; I81-L84 PolarHBondContact O-N 2.88Å; I81-V85 HydrophobicContact CG2-CG2 4.4Å; I81-V85 WeakPolarHBondContact O-CG2 3.29Å; I81-V85 PolarHBondContact O-N 3.27Å
82	A	80.7	Confident	79.8	Confident	51 Å²	51	106.4 Å²	106.4	42%	0.421	56%	0.561	S	S	.	*	H	α-helix	trans	-61.3	-44.8	177.5	0	0	0	0	0	112.3	G78 I79 V85 I86	G78-A82 WeakPolarHBondContact O-CB 3.27Å; G78-A82 PolarHBondContact O-N 3.49Å; I79-A82 PolarHBondContact O-N 2.88Å; A82-V85 PolarHBondContact O-N 3.5Å; A82-I86 VanDerWaalsContact O-CG1 3.28Å; A82-I86 WeakPolarHBondContact O-CG1 3.28Å; A82-I86 PolarHBondContact O-N 3.49Å
83	L	85.1	Confident	81.4	Confident	113 Å²	113	105.4 Å²	105.4	59%	0.592	55%	0.548	S	S	*	.	H	α-helix	trans	-62.8	-41.1	174.9	-78.4	168.3	0	0	0	112.2	I79 A80 I81 I86 L87	I79-L83 HydrophobicContact CG2-CD1 4.12Å; I79-L83 PolarHBondContact O-N 3.4Å; A80-L83 PolarHBondContact O-N 3.37Å; I81-L83 PolarHBondContact O-N 2.94Å; L83-I86 PolarHBondContact O-N 3.4Å; L83-L87 WeakPolarHBondContact O-CB 3.3Å; L83-L87 PolarHBondContact O-N 2.96Å
84	L	87.7	Confident	82.5	Confident	106 Å²	106	100.3 Å²	100.3	56%	0.555	53%	0.53	S	S	*	.	H	α-helix	trans	-66.4	-39.1	178	-174.3	136.6	0	0	0	112	A80 I81 L87 I88	A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 2.89Å; I81-L84 PolarHBondContact O-N 2.88Å; L84-L87 PolarHBondContact O-N 3.34Å; L84-I88 HydrophobicContact CD2-CD1 3.62Å; L84-I88 HydrophobicContact CG-CD1 4.32Å; L84-I88 VanDerWaalsContact O-CG1 3.29Å; L84-I88 WeakPolarHBondContact O-CG1 3.38Å; L84-I88 PolarHBondContact O-N 2.84Å
85	V	89.6	Confident	83.3	Confident	70 Å²	70	94.1 Å²	94.1	42%	0.424	51%	0.514	S	S	.	.	H	α-helix	trans	-65.6	-43.3	173.4	170.3	0	0	0	0	111.4	I81 A82 L87 I88 I89	I81-V85 HydrophobicContact CG2-CG2 4.4Å; I81-V85 WeakPolarHBondContact O-CG2 3.29Å; I81-V85 PolarHBondContact O-N 3.27Å; A82-V85 PolarHBondContact O-N 3.5Å; V85-L87 VanDerWaalsContact C-N 3.33Å; V85-L87 PolarHBondContact O-N 2.9Å; V85-I88 PolarHBondContact O-N 3.28Å; V85-I89 HydrophobicContact CG1-CD1 3.74Å; V85-I89 HydrophobicContact CG1-CG1 4.44Å; V85-I89 WeakPolarHBondContact O-CB 3.33Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.35Å; V85-I89 PolarHBondContact O-N 3.39Å
86	I	89.6	Confident	84	Confident	97 Å²	97	91.7 Å²	91.7	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-43.8	174.6	-69.9	163.9	0	0	0	110.5	A82 L83 I88 I89 C90	A82-I86 VanDerWaalsContact O-CG1 3.28Å; A82-I86 WeakPolarHBondContact O-CG1 3.28Å; A82-I86 PolarHBondContact O-N 3.49Å; L83-I86 PolarHBondContact O-N 3.4Å; I86-I88 PolarHBondContact O-N 3.46Å; I86-I89 PolarHBondContact O-N 3.37Å; I86-C90 WeakPolarHBondContact O-CB 3.35Å; I86-C90 PolarHBondContact O-N 3.25Å; I86-C90 PolarHBondContact O-SG 2.85Å; I86-C90 VanDerWaalsContact O-SG 3.35Å
87	L	90.1	Very high	84.5	Confident	124 Å²	124	86 Å²	86	65%	0.649	49%	0.492	S	S	*	.	H	α-helix	trans	-65	-39.9	179.8	-152.6	161.4	0	0	0	111.4	L83 L84 V85 S91	L83-L87 WeakPolarHBondContact O-CB 3.3Å; L83-L87 PolarHBondContact O-N 2.96Å; L84-L87 PolarHBondContact O-N 3.34Å; V85-L87 VanDerWaalsContact C-N 3.33Å; V85-L87 PolarHBondContact O-N 2.9Å; L87-S91 VanDerWaalsContact O-CB 3.26Å; L87-S91 WeakPolarHBondContact O-CB 3.5Å; L87-S91 PolarHBondContact O-N 3.23Å
88	I	90	Very high	84.5	Confident	88 Å²	88	84 Å²	84	45%	0.451	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-45	172.5	-70.5	167.2	0	0	0	111.3	L84 V85 I86 S91 L92	L84-I88 HydrophobicContact CD2-CD1 3.62Å; L84-I88 HydrophobicContact CG-CD1 4.32Å; L84-I88 VanDerWaalsContact O-CG1 3.29Å; L84-I88 WeakPolarHBondContact O-CG1 3.38Å; L84-I88 PolarHBondContact O-N 2.84Å; V85-I88 PolarHBondContact O-N 3.28Å; I86-I88 PolarHBondContact O-N 3.46Å; I88-S91 PolarHBondContact O-N 2.86Å; I88-L92 HydrophobicContact CG2-CD1 3.93Å; I88-L92 HydrophobicContact CG2-CG 4.48Å; I88-L92 WeakPolarHBondContact O-CB 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.27Å; I88-L92 PolarHBondContact O-N 3.46Å
89	I	90.9	Very high	84.3	Confident	86 Å²	86	89.2 Å²	89.2	44%	0.441	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-45	178.7	-69.7	168.5	0	0	0	110.8	V85 I86 S91 L92 I93	V85-I89 HydrophobicContact CG1-CD1 3.74Å; V85-I89 HydrophobicContact CG1-CG1 4.44Å; V85-I89 WeakPolarHBondContact O-CB 3.33Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.35Å; V85-I89 PolarHBondContact O-N 3.39Å; I86-I89 PolarHBondContact O-N 3.37Å; I89-S91 VanDerWaalsContact C-N 3.33Å; I89-S91 PolarHBondContact O-N 3.48Å; I89-L92 PolarHBondContact O-N 3.35Å; I89-I93 HydrophobicContact CG2-CD1 3.78Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 VanDerWaalsContact O-CG1 3.29Å; I89-I93 WeakPolarHBondContact O-CG1 3.4Å; I89-I93 PolarHBondContact O-N 2.8Å
90	C	87.8	Confident	84	Confident	66 Å²	66	91.9 Å²	91.9	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-61.6	-40.9	173.7	-71.3	0	0	0	0	111.6	I86 L92 I93 V94	I86-C90 WeakPolarHBondContact O-CB 3.35Å; I86-C90 PolarHBondContact O-N 3.25Å; I86-C90 PolarHBondContact O-SG 2.85Å; I86-C90 VanDerWaalsContact O-SG 3.35Å; C90-L92 VanDerWaalsContact C-N 3.34Å; C90-L92 PolarHBondContact O-N 3.48Å; C90-I93 PolarHBondContact O-N 2.85Å; C90-V94 WeakPolarHBondContact O-CB 3.29Å; C90-V94 VanDerWaalsContact O-CG2 3.27Å; C90-V94 WeakPolarHBondContact O-CG2 3.47Å; C90-V94 PolarHBondContact O-N 2.9Å
91	S	87.8	Confident	83	Confident	65 Å²	65	92.9 Å²	92.9	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-39.8	174.7	-173.2	0	0	0	0	112.1	L87 I88 I89 T95	L87-S91 VanDerWaalsContact O-CB 3.26Å; L87-S91 WeakPolarHBondContact O-CB 3.5Å; L87-S91 PolarHBondContact O-N 3.23Å; I88-S91 PolarHBondContact O-N 2.86Å; I89-S91 VanDerWaalsContact C-N 3.33Å; I89-S91 PolarHBondContact O-N 3.48Å; S91-T95 WeakPolarHBondContact O-CG2 3.1Å; S91-T95 PolarHBondContact O-N 2.89Å; S91-T95 PolarHBondContact O-OG1 3.37Å
92	L	87.9	Confident	81.9	Confident	107 Å²	107	92.4 Å²	92.4	56%	0.56	53%	0.525	S	S	*	.	H	α-helix	trans	-69.9	-37.8	176.4	-75.5	168.5	0	0	0	112.3	I88 I89 C90 T95 S96	I88-L92 HydrophobicContact CG2-CD1 3.93Å; I88-L92 HydrophobicContact CG2-CG 4.48Å; I88-L92 WeakPolarHBondContact O-CB 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.27Å; I88-L92 PolarHBondContact O-N 3.46Å; I89-L92 PolarHBondContact O-N 3.35Å; C90-L92 VanDerWaalsContact C-N 3.34Å; C90-L92 PolarHBondContact O-N 3.48Å; L92-T95 WeakPolarHBondContact CA-OG1 3.25Å; L92-T95 PolarHBondContact O-OG1 2.8Å; L92-S96 WeakPolarHBondContact O-CB 3.45Å; L92-S96 PolarHBondContact O-N 3.36Å
93	I	87.8	Confident	80.6	Confident	99 Å²	99	95.6 Å²	95.6	51%	0.508	54%	0.544	S	S	.	.	H	α-helix	trans	-65.4	-46	173.5	-68.5	165.1	0	0	0	109.7	I89 C90 S96 V97	I89-I93 HydrophobicContact CG2-CD1 3.78Å; I89-I93 HydrophobicContact CG2-CG1 4.44Å; I89-I93 VanDerWaalsContact O-CG1 3.29Å; I89-I93 WeakPolarHBondContact O-CG1 3.4Å; I89-I93 PolarHBondContact O-N 2.8Å; C90-I93 PolarHBondContact O-N 2.85Å; I93-S96 PolarHBondContact O-N 2.93Å; I93-V97 HydrophobicContact CG2-CG2 4.4Å; I93-V97 WeakPolarHBondContact O-CB 3.28Å; I93-V97 VanDerWaalsContact O-CG2 3.26Å; I93-V97 WeakPolarHBondContact O-CG2 3.49Å; I93-V97 PolarHBondContact O-N 3.3Å
94	V	84.5	Confident	79	Confident	84 Å²	84	97.8 Å²	97.8	51%	0.509	55%	0.552	S	S	.	*	H	α-helix	trans	-64.5	-45.3	178.8	169.8	0	0	0	0	111.5	C90 V97 I98	C90-V94 WeakPolarHBondContact O-CB 3.29Å; C90-V94 VanDerWaalsContact O-CG2 3.27Å; C90-V94 WeakPolarHBondContact O-CG2 3.47Å; C90-V94 PolarHBondContact O-N 2.9Å; V94-V97 PolarHBondContact O-N 2.85Å; V94-I98 HydrophobicContact CG1-CD1 3.7Å; V94-I98 WeakPolarHBondContact O-CB 3.18Å; V94-I98 VanDerWaalsContact O-CG1 3.25Å; V94-I98 WeakPolarHBondContact O-CG1 3.17Å; V94-I98 PolarHBondContact O-N 2.79Å
95	T	82.1	Confident	77.4	Confident	64 Å²	64	98.1 Å²	98.1	39%	0.393	55%	0.554	S	S	.	*	H	α-helix	trans	-67.8	-35.9	175.3	51	0	0	0	0	112.4	S91 L92 I98 L99	S91-T95 WeakPolarHBondContact O-CG2 3.1Å; S91-T95 PolarHBondContact O-N 2.89Å; S91-T95 PolarHBondContact O-OG1 3.37Å; L92-T95 WeakPolarHBondContact CA-OG1 3.25Å; L92-T95 PolarHBondContact O-OG1 2.8Å; T95-I98 PolarHBondContact O-N 2.65Å; T95-L99 VanDerWaalsContact O-CB 3.28Å; T95-L99 WeakPolarHBondContact O-CB 3.48Å; T95-L99 WeakPolarHBondContact O-CG 3.24Å; T95-L99 PolarHBondContact O-N 3.36Å
96	S	82.2	Confident	76	Confident	58 Å²	58	99.4 Å²	99.4	41%	0.406	56%	0.558	S	S	.	*	H	α-helix	trans	-68.9	-35.1	175.1	-167.2	0	0	0	0	112.2	L92 I93 L100	L92-S96 WeakPolarHBondContact O-CB 3.45Å; L92-S96 PolarHBondContact O-N 3.36Å; I93-S96 PolarHBondContact O-N 2.93Å; S96-L100 WeakPolarHBondContact O-CB 3.45Å; S96-L100 WeakPolarHBondContact O-CD1 3.4Å; S96-L100 WeakPolarHBondContact O-CG 3.26Å; S96-L100 PolarHBondContact O-N 3.34Å; S96-L100 WeakPolarHBondContact OG-CD1 3.43Å
97	V	81.6	Confident	75.1	Confident	79 Å²	79	97.5 Å²	97.5	48%	0.479	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-47.4	170.6	167.9	0	0	0	0	109.9	I93 V94 L99 L100 T101	I93-V97 HydrophobicContact CG2-CG2 4.4Å; I93-V97 WeakPolarHBondContact O-CB 3.28Å; I93-V97 VanDerWaalsContact O-CG2 3.26Å; I93-V97 WeakPolarHBondContact O-CG2 3.49Å; I93-V97 PolarHBondContact O-N 3.3Å; V94-V97 PolarHBondContact O-N 2.85Å; V97-L99 VanDerWaalsContact C-N 3.28Å; V97-L99 PolarHBondContact O-N 2.85Å; V97-L100 PolarHBondContact O-N 2.95Å; V97-T101 VanDerWaalsContact O-CB 3.24Å; V97-T101 WeakPolarHBondContact O-CB 3.37Å; V97-T101 PolarHBondContact O-N 3.3Å; V97-T101 PolarHBondContact O-OG1 3.33Å
98	I	74.8	Confident	74.5	Confident	123 Å²	123	94 Å²	94	63%	0.631	54%	0.535	S	S	*	.	H	α-helix	trans	-64.5	-30.9	178.9	-67.9	166.3	0	0	0	112.3	V94 T95	V94-I98 HydrophobicContact CG1-CD1 3.7Å; V94-I98 WeakPolarHBondContact O-CB 3.18Å; V94-I98 VanDerWaalsContact O-CG1 3.25Å; V94-I98 WeakPolarHBondContact O-CG1 3.17Å; V94-I98 PolarHBondContact O-N 2.79Å; T95-I98 PolarHBondContact O-N 2.65Å
99	L	71.5	Confident	73.7	Confident	145 Å²	145	93.2 Å²	93.2	76%	0.759	54%	0.542	S	S	*	.	H	α-helix	trans	-82.4	-27.8	176.5	-82.4	162.1	0	0	0	114.3	T95 V97	T95-L99 VanDerWaalsContact O-CB 3.28Å; T95-L99 WeakPolarHBondContact O-CB 3.48Å; T95-L99 WeakPolarHBondContact O-CG 3.24Å; T95-L99 PolarHBondContact O-N 3.36Å; V97-L99 VanDerWaalsContact C-N 3.28Å; V97-L99 PolarHBondContact O-N 2.85Å
100	L	71.3	Confident	73.1	Confident	135 Å²	135	96.9 Å²	96.9	71%	0.707	56%	0.557	S	S	*	*	H	α-helix	trans	-101	-19.9	-177.3	-65.6	172.4	0	0	0	113.6	S96 V97 P102	S96-L100 WeakPolarHBondContact O-CB 3.45Å; S96-L100 WeakPolarHBondContact O-CD1 3.4Å; S96-L100 WeakPolarHBondContact O-CG 3.26Å; S96-L100 PolarHBondContact O-N 3.34Å; S96-L100 WeakPolarHBondContact OG-CD1 3.43Å; V97-L100 PolarHBondContact O-N 2.95Å; L100-P102 WeakPolarHBondContact O-CD 3.35Å
101	T	57.2	Low	73.2	Confident	80 Å²	80	97 Å²	97	49%	0.491	55%	0.55	S	S	.	.	S	Bend	trans	-78.1	113.3	167.1	-43.2	0	0	0	0	106.3	V97 S103	V97-T101 VanDerWaalsContact O-CB 3.24Å; V97-T101 WeakPolarHBondContact O-CB 3.37Å; V97-T101 PolarHBondContact O-N 3.3Å; V97-T101 PolarHBondContact O-OG1 3.33Å; T101-S103 PolarHBondContact O-N 2.9Å
102	P	59.3	Low	73.5	Confident	101 Å²	101	98.6 Å²	98.6	66%	0.656	55%	0.549	S	S	*	.			trans	-58.7	142.4	172.4	27.4	-33.8	0	0	0	108.4	L100 E104	L100-P102 WeakPolarHBondContact O-CD 3.35Å; P102-E104 PolarHBondContact O-N 3.47Å
103	S	53.2	Low	73.8	Confident	117 Å²	117	97.3 Å²	97.3	82%	0.818	54%	0.539	S	S	*	.			trans	-61.8	102.9	170	54.4	0	0	0	0	108.3	T101 D105	T101-S103 PolarHBondContact O-N 2.9Å; S103-D105 PolarHBondContact O-N 3.18Å
104	E	52.3	Low	74.1	Confident	160 Å²	160	92.6 Å²	92.6	75%	0.748	51%	0.514	S	S	*	.			trans	-62.7	121.9	170.7	-67.5	-163	137.7	0	0	107.7	P102 D106	P102-E104 PolarHBondContact O-N 3.47Å; E104-D106 PolarHBondContact O-N 3.17Å
105	D	54.6	Low	74.5	Confident	112 Å²	112	90.4 Å²	90.4	60%	0.599	50%	0.501	S	S	*	.			trans	-79.7	75.9	-178.2	-167.4	-5.3	0	0	0	108.6	S103 S107 L108	S103-D105 PolarHBondContact O-N 3.18Å; D105-S107 VanDerWaalsContact CG-OG 3.28Å; D105-S107 PolarHBondContact O-N 2.92Å; D105-S107 VanDerWaalsContact OD1-CB 3.23Å; D105-S107 WeakPolarHBondContact OD1-CB 3.5Å; D105-S107 PolarHBondContact OD1-OG 3.23Å; D105-L108 PolarHBondContact O-N 3.15Å
106	D	60.1	Low	74.9	Confident	98 Å²	98	89.5 Å²	89.5	52%	0.524	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-15	-179.8	-82.7	-27.9	0	0	0	113	E104 L108 A109 H110	E104-D106 PolarHBondContact O-N 3.17Å; D106-L108 PolarHBondContact O-N 3.09Å; D106-L108 VanDerWaalsContact O-N 3.09Å; D106-A109 WeakPolarHBondContact O-CB 3.47Å; D106-A109 PolarHBondContact O-N 2.94Å; D106-H110 PolarHBondContact O-CD2 3.02Å; D106-H110 PolarHBondContact O-N 2.89Å; D106-H110 VanDerWaalsContact O-N 3.17Å
107	S	69.8	Low	75.2	Confident	56 Å²	56	93.2 Å²	93.2	39%	0.392	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.6	170.6	78.8	0	0	0	0	113.5	D105 K111	D105-S107 VanDerWaalsContact CG-OG 3.28Å; D105-S107 PolarHBondContact O-N 2.92Å; D105-S107 VanDerWaalsContact OD1-CB 3.23Å; D105-S107 WeakPolarHBondContact OD1-CB 3.5Å; D105-S107 PolarHBondContact OD1-OG 3.23Å; S107-K111 WeakPolarHBondContact O-CD 3.35Å; S107-K111 WeakPolarHBondContact O-CE 3.23Å; S107-K111 VanDerWaalsContact O-CG 3.31Å; S107-K111 WeakPolarHBondContact O-CG 3.45Å
108	L	77.4	Confident	75.6	Confident	50 Å²	50	90.9 Å²	90.9	26%	0.262	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-37	171.5	-82.6	164	0	0	0	113	D105 D106 H110 K111 Q572 A596	D105-L108 PolarHBondContact O-N 3.15Å; D106-L108 PolarHBondContact O-N 3.09Å; D106-L108 VanDerWaalsContact O-N 3.09Å; L108-H110 VanDerWaalsContact C-N 3.28Å; L108-H110 PolarHBondContact O-N 2.98Å; L108-K111 PolarHBondContact O-N 2.58Å; L108-K111 VanDerWaalsContact O-N 3.15Å; L108-Q572 HydrophobicContact CD2-CG 4.49Å; L108-Q572 PolarHBondContact O-NE2 3.4Å; L108-A596 HydrophobicContact CD2-CB 3.75Å
109	A	73.3	Confident	76.3	Confident	73 Å²	73	86.5 Å²	86.5	60%	0.603	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.1	179.9	0	0	0	0	0	112.1	D106 K111	D106-A109 WeakPolarHBondContact O-CB 3.47Å; D106-A109 PolarHBondContact O-N 2.94Å; A109-K111 VanDerWaalsContact C-N 3.34Å
110	H	79	Confident	76.8	Confident	162 Å²	162	84.5 Å²	84.5	75%	0.75	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.5	175.3	-64.5	-57.8	0	0	0	114.9	D106 L108	D106-H110 PolarHBondContact O-CD2 3.02Å; D106-H110 PolarHBondContact O-N 2.89Å; D106-H110 VanDerWaalsContact O-N 3.17Å; L108-H110 VanDerWaalsContact C-N 3.28Å; L108-H110 PolarHBondContact O-N 2.98Å
111	K	90.1	Very high	77.5	Confident	69 Å²	69	79.1 Å²	79.1	30%	0.3	43%	0.431	S	S	.	.	S	Bend	trans	-89.2	138	-178.8	-72.5	178.7	-169.4	-154.7	0	112.1	S107 L108 A109 N569 N570 Q572	S107-K111 WeakPolarHBondContact O-CD 3.35Å; S107-K111 WeakPolarHBondContact O-CE 3.23Å; S107-K111 VanDerWaalsContact O-CG 3.31Å; S107-K111 WeakPolarHBondContact O-CG 3.45Å; L108-K111 PolarHBondContact O-N 2.58Å; L108-K111 VanDerWaalsContact O-N 3.15Å; A109-K111 VanDerWaalsContact C-N 3.34Å; K111-N569 VanDerWaalsContact CE-O 3.27Å; K111-N569 WeakPolarHBondContact CE-O 3.43Å; K111-N569 PolarHBondContact NZ-O 3.29Å; K111-N570 WeakPolarHBondContact CA-O 3.43Å; K111-N570 WeakPolarHBondContact CB-O 3.49Å; K111-Q572 HydrophobicContact CB-CG 3.81Å; K111-Q572 PolarHBondContact O-NE2 3.47Å
112	K	92.9	Very high	78.9	Confident	99 Å²	99	78 Å²	78	43%	0.43	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-68.4	140.7	176.7	-162.3	-155.3	175	-164.5	0	110.3	D118 N570 M571 Q572	K112-D118 IonicContact NZ-OD1 2.67Å; K112-D118 PolarHBondContact NZ-OD1 3.27Å; K112-D118 IonicContact NZ-OD2 2.74Å; K112-D118 PolarHBondContact NZ-OD2 2.86Å; K112-N570 PolarHBondContact N-O 3.21Å; K112-M571 HydrophobicContact CB-CG 4.48Å; K112-M571 HydrophobicContact CD-CE 4.33Å; K112-M571 CarbonylContact O-C 3.6Å; K112-M571 WeakPolarHBondContact O-CA 3.45Å; K112-Q572 PolarHBondContact O-N 3.26Å
113	K	93.8	Very high	80.3	Confident	80 Å²	80	76.2 Å²	76.2	35%	0.348	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-73.9	146.9	165.5	-67.8	-177.8	165.2	-145.2	0	110.4	T115 Q572 S633 S634	K113-T115 PolarHBondContact O-N 3.29Å; K113-Q572 HydrophobicContact CG-CB 4.4Å; K113-Q572 HydrophobicContact CG-CG 4.37Å; K113-S633 PolarHBondContact NZ-O 3.39Å; K113-S634 PolarHBondContact NZ-O 3.32Å
114	V	94.3	Very high	82	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-73.7	120	178.6	-173.7	0	0	0	0	109	D118 I119 L124 M571 M573 T629 V630 S633 S634	V114-D118 HydrophobicContact CG1-CB 4.37Å; V114-I119 HydrophobicContact CG1-CD1 4.25Å; V114-I119 HydrophobicContact CG1-CG1 4.04Å; V114-L124 HydrophobicContact CG1-CD1 4.41Å; V114-M571 HydrophobicContact CG2-CB 4.09Å; V114-M571 HydrophobicContact CG2-SD 4.03Å; V114-M573 HydrophobicContact CG2-CE 3.89Å; V114-M573 HydrophobicContact CG2-SD 3.86Å; V114-T629 HydrophobicContact CG1-CG2 4.45Å; V114-T629 HydrophobicContact CG2-CG2 4.33Å; V114-V630 HydrophobicContact CG1-CG2 4.42Å; V114-S633 PolarHBondContact N-OG 3.02Å; V114-S634 PolarHBondContact O-OG 2.99Å
115	T	93	Very high	83.8	Confident	37 Å²	37	72.4 Å²	72.4	23%	0.227	38%	0.376	C	S	.	.			trans	-98.2	177.3	174.9	74.6	0	0	0	0	111.4	K113 E117 D118	K113-T115 PolarHBondContact O-N 3.29Å; T115-E117 WeakPolarHBondContact CB-OE2 3.49Å; T115-E117 PolarHBondContact OG1-OE2 3.22Å; T115-D118 PolarHBondContact N-OD2 3.34Å; T115-D118 PolarHBondContact OG1-OD2 2.78Å
116	V	90.6	Very high	85.6	Confident	45 Å²	45	69.8 Å²	69.8	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-46.3	177.7	-179.7	0	0	0	0	109.6	D118 I119 F120 V630 F812	V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 2.97Å; V116-I119 PolarHBondContact O-N 3.38Å; V116-F120 HydrophobicContact CG1-CD2 4.29Å; V116-F120 HydrophobicContact CG1-CE2 3.97Å; V116-F120 WeakPolarHBondContact O-CD2 3.4Å; V116-V630 HydrophobicContact CG2-CG1 4.1Å; V116-F812 HydrophobicContact CG1-CB 3.79Å; V116-F812 HydrophobicContact CG1-CD1 4.29Å; V116-F812 HydrophobicContact CG1-CG 4.47Å
117	E	89.9	Confident	87.2	Confident	136 Å²	136	66.8 Å²	66.8	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-58.4	-36.4	-177.4	-54.1	75.3	-164.9	0	0	112.2	T115 I119 F120 G121	T115-E117 WeakPolarHBondContact CB-OE2 3.49Å; T115-E117 PolarHBondContact OG1-OE2 3.22Å; E117-I119 PolarHBondContact O-N 2.77Å; E117-F120 PolarHBondContact O-N 3.33Å; E117-G121 PolarHBondContact O-N 2.93Å
118	D	90	Very high	88.3	Confident	30 Å²	30	68.6 Å²	68.6	16%	0.16	35%	0.35	C	S	.	.	H	α-helix	trans	-59.5	-34.5	178.1	-69.2	-37	0	0	0	112.6	K112 V114 T115 V116 G121 L124 M571	K112-D118 IonicContact NZ-OD1 2.67Å; K112-D118 PolarHBondContact NZ-OD1 3.27Å; K112-D118 IonicContact NZ-OD2 2.74Å; K112-D118 PolarHBondContact NZ-OD2 2.86Å; V114-D118 HydrophobicContact CG1-CB 4.37Å; T115-D118 PolarHBondContact N-OD2 3.34Å; T115-D118 PolarHBondContact OG1-OD2 2.78Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 2.97Å; D118-G121 PolarHBondContact O-N 3.35Å; D118-L124 HydrophobicContact CB-CD1 3.91Å; D118-M571 HydrophobicContact CB-CE 4.02Å
119	I	88.5	Confident	89.1	Confident	31 Å²	31	66.3 Å²	66.3	16%	0.159	34%	0.338	C	S	.	.	H	α-helix	trans	-74.5	-28.9	-176.6	-61.6	-165.1	0	0	0	112	V114 V116 E117 V625 D626 V630	V114-I119 HydrophobicContact CG1-CD1 4.25Å; V114-I119 HydrophobicContact CG1-CG1 4.04Å; V116-I119 PolarHBondContact O-N 3.38Å; E117-I119 PolarHBondContact O-N 2.77Å; I119-V625 HydrophobicContact CD1-CG1 3.87Å; I119-V625 HydrophobicContact CG1-CG1 3.94Å; I119-D626 VanDerWaalsContact CD1-C 3.44Å; I119-D626 WeakPolarHBondContact CD1-O 3.44Å; I119-V630 HydrophobicContact CD1-CG2 3.37Å; I119-V630 HydrophobicContact CG1-CG2 4.14Å
120	F	82.6	Confident	90	Very high	104 Å²	104	66.8 Å²	66.8	46%	0.456	33%	0.33	S	S	.	.	H	α-helix	trans	-91.6	-12.9	174.4	-57	-83.1	0	0	0	112.1	V116 E117 F812	V116-F120 HydrophobicContact CG1-CD2 4.29Å; V116-F120 HydrophobicContact CG1-CE2 3.97Å; V116-F120 WeakPolarHBondContact O-CD2 3.4Å; E117-F120 PolarHBondContact O-N 3.33Å; F120-F812 HydrophobicContact CD2-CB 4.36Å; F120-F812 HydrophobicContact CE1-CB 4.24Å; F120-F812 HydrophobicContact CE2-CB 3.31Å; F120-F812 HydrophobicContact CE2-CG 4.1Å; F120-F812 HydrophobicContact CZ-CB 3.22Å; F120-F812 HydrophobicContact CZ-CD2 4.02Å; F120-F812 AromaticContact CZ-CG 3.86Å; F120-F812 HydrophobicContact CZ-CG 3.86Å
121	G	85.4	Confident	90.8	Very high	21 Å²	21	59.8 Å²	59.8	22%	0.216	30%	0.301	C	S	.	.	S	Bend	trans	-60.4	150.1	172.4	0	0	0	0	0	113.4	E117 D118 D123 R125	E117-G121 PolarHBondContact O-N 2.93Å; D118-G121 PolarHBondContact O-N 3.35Å; G121-D123 PolarHBondContact O-N 3.08Å; G121-R125 PolarHBondContact O-N 3.5Å
122	A	85.8	Confident	91	Very high	56 Å²	56	62.8 Å²	62.8	46%	0.463	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-9.6	178.6	0	0	0	0	0	113.9	R144	A122-R144 PolarHBondContact O-NH2 2.92Å
123	D	88.8	Confident	91.1	Very high	65 Å²	65	59.3 Å²	59.3	35%	0.348	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-47.2	-176.9	-65.2	-72.1	0	0	0	113	G121 R563 V564 T567	G121-D123 PolarHBondContact O-N 3.08Å; D123-R563 VanDerWaalsContact CG-NH2 3.3Å; D123-R563 IonicContact OD1-CZ 3.13Å; D123-R563 IonicContact OD1-NE 2.7Å; D123-R563 PolarHBondContact OD1-NE 3.04Å; D123-R563 IonicContact OD1-NH2 2.72Å; D123-R563 PolarHBondContact OD1-NH2 3.38Å; D123-R563 IonicContact OD2-NH2 3.32Å; D123-R563 PolarHBondContact OD2-NH2 3.12Å; D123-V564 WeakPolarHBondContact O-CA 3.44Å; D123-V564 WeakPolarHBondContact O-CG2 3.45Å; D123-T567 HydrophobicContact CB-CG2 4.02Å
124	L	89.6	Confident	91.1	Very high	9 Å²	9	58.6 Å²	58.6	5%	0.047	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.9	176	-68.1	179.1	0	0	0	113.6	V114 D118 I126 T567 M571 M573 V625	V114-L124 HydrophobicContact CG1-CD1 4.41Å; D118-L124 HydrophobicContact CB-CD1 3.91Å; L124-I126 PolarHBondContact O-N 3.24Å; L124-I126 VanDerWaalsContact O-N 3.1Å; L124-T567 HydrophobicContact CD2-CG2 3.58Å; L124-T567 HydrophobicContact CG-CG2 3.92Å; L124-M571 HydrophobicContact CD1-CE 4.3Å; L124-M571 HydrophobicContact CD1-SD 3.84Å; L124-M571 HydrophobicContact CD2-SD 4.2Å; L124-M571 HydrophobicContact CG-SD 4.37Å; L124-M573 HydrophobicContact CD1-CE 4.22Å; L124-M573 HydrophobicContact CD2-CE 3.93Å; L124-V625 HydrophobicContact CD1-CG1 4.22Å
125	R	90.1	Very high	91.1	Very high	187 Å²	187	60.2 Å²	60.2	71%	0.706	31%	0.309	S	S	*	.			trans	-65.1	111.7	175.8	-175.9	172.7	175.6	179.4	-3.4	110.8	G121 H127 V564	G121-R125 PolarHBondContact O-N 3.5Å; R125-H127 PolarHBondContact O-N 3.48Å; R125-V564 WeakPolarHBondContact O-CG2 3.45Å
126	I	92.2	Very high	91.1	Very high	58 Å²	58	61.6 Å²	61.6	30%	0.297	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-56.7	129.8	168.7	-61.7	-65.7	0	0	0	109.3	L124 I541 P542 V564 F623	L124-I126 PolarHBondContact O-N 3.24Å; L124-I126 VanDerWaalsContact O-N 3.1Å; I126-I541 HydrophobicContact CD1-CG2 4.29Å; I126-P542 HydrophobicContact CD1-CB 4.29Å; I126-P542 HydrophobicContact CD1-CG 3.92Å; I126-P542 HydrophobicContact CG1-CG 4.35Å; I126-P542 HydrophobicContact CG2-CB 4.15Å; I126-P542 HydrophobicContact CG2-CG 4.43Å; I126-V564 HydrophobicContact CD1-CB 4.39Å; I126-V564 HydrophobicContact CD1-CG1 3.86Å; I126-V564 HydrophobicContact CD1-CG2 4.26Å; I126-F623 HydrophobicContact CD1-CD1 4.27Å; I126-F623 HydrophobicContact CD1-CE1 3.89Å; I126-F623 HydrophobicContact CG1-CD1 4.49Å; I126-F623 HydrophobicContact CG1-CE1 4.23Å
127	H	93.6	Very high	91.3	Very high	34 Å²	34	62.4 Å²	62.4	16%	0.157	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-90.5	122.2	167.3	-177	-113.5	0	0	0	108.5	R125 R142 S143 R144 E559 N561	R125-H127 PolarHBondContact O-N 3.48Å; H127-R142 PolarHBondContact CE1-O 2.79Å; H127-S143 VanDerWaalsContact CE1-C 3.41Å; H127-R144 HydrophobicContact CB-CG 4.39Å; H127-R144 PolarHBondContact CE1-N 2.96Å; H127-R144 VanDerWaalsContact CE1-N 3.32Å; H127-E559 IonicContact CE1-OE2 2.81Å; H127-E559 IonicContact CG-OE2 2.69Å; H127-E559 IonicContact ND1-OE2 3.85Å; H127-E559 PolarHBondContact ND1-OE2 3.4Å; H127-N561 PolarHBondContact N-OD1 3.46Å; H127-N561 PolarHBondContact O-ND2 2.74Å; H127-N561 VanDerWaalsContact O-ND2 3.16Å
128	D	93.1	Very high	91.6	Very high	95 Å²	95	56.7 Å²	56.7	51%	0.508	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-98.4	121.5	167.2	-169.4	-31.7	0	0	0	107.2	D130	D128-D130 PolarHBondContact O-N 3.4Å; D128-D130 PolarHBondContact OD1-N 3.36Å
129	P	93.9	Very high	91.9	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	28%	0.281	C	S	.	.			trans	-74.4	0.6	-179.1	32	-37.1	0	0	0	114.1	A131 Y141 R142 V544 V558 E559	P129-A131 HydrophobicContact CG-CB 4.3Å; P129-A131 PolarHBondContact O-N 2.67Å; P129-A131 VanDerWaalsContact O-N 3.08Å; P129-Y141 HydrophobicContact CB-CD2 4.45Å; P129-R142 WeakPolarHBondContact CA-O 3.22Å; P129-R142 WeakPolarHBondContact CB-O 3.4Å; P129-R142 PolarHBondContact O-N 2.71Å; P129-V544 HydrophobicContact CG-CB 4.07Å; P129-V544 HydrophobicContact CG-CG1 4.26Å; P129-V544 HydrophobicContact CG-CG2 3.84Å; P129-V558 HydrophobicContact CB-CG1 4.11Å; P129-V558 HydrophobicContact CG-CG1 4.08Å; P129-E559 HydrophobicContact CB-CB 4.4Å; P129-E559 HydrophobicContact CG-CB 3.96Å
130	D	93.1	Very high	92.2	Very high	83 Å²	83	54.5 Å²	54.5	44%	0.444	28%	0.277	S	S	.	.			trans	53.4	31.1	179.3	-84.9	-40.5	0	0	0	113.1	D128	D128-D130 PolarHBondContact O-N 3.4Å; D128-D130 PolarHBondContact OD1-N 3.36Å
131	A	94.9	Very high	92.9	Very high	16 Å²	16	50 Å²	50	13%	0.132	26%	0.257	C	S	.	.			trans	-71.3	132.1	-163.8	0	0	0	0	0	113.8	P129 L139 L140 L533 V558	P129-A131 HydrophobicContact CG-CB 4.3Å; P129-A131 PolarHBondContact O-N 2.67Å; P129-A131 VanDerWaalsContact O-N 3.08Å; A131-L139 HydrophobicContact CB-CD1 4.4Å; A131-L139 HydrophobicContact CB-CD2 4.4Å; A131-L140 CarbonylContact C-O 3.59Å; A131-L140 VanDerWaalsContact CA-O 3.28Å; A131-L140 WeakPolarHBondContact CA-O 3.46Å; A131-L533 HydrophobicContact CB-CD1 4.39Å; A131-L533 HydrophobicContact CB-CD2 3.68Å; A131-V558 HydrophobicContact CB-CG1 4.4Å
132	K	94.7	Very high	93.3	Very high	131 Å²	131	52.2 Å²	52.2	57%	0.57	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	135	-171.8	-68.6	169.5	-167.3	174.4	0	111.6	L140	K132-L140 PolarHBondContact N-O 3.35Å; K132-L140 PolarHBondContact O-N 2.7Å
133	W	95.6	Very high	93.7	Very high	27 Å²	27	50.4 Å²	50.4	10%	0.102	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	128.6	174.5	-67	101.6	0	0	0	111.3	L139 V153 S524 F525 Y531 L533 V546	W133-L139 HydrophobicContact CD2-CD1 3.86Å; W133-L139 HydrophobicContact CE3-CB 4.34Å; W133-L139 HydrophobicContact CE3-CD1 4.17Å; W133-L139 HydrophobicContact CG-CD1 4.19Å; W133-L139 HydrophobicContact CZ2-CD1 4.36Å; W133-L139 HydrophobicContact CZ3-CB 4.32Å; W133-V153 HydrophobicContact CH2-CG2 3.97Å; W133-V153 HydrophobicContact CZ3-CG2 3.91Å; W133-S524 PolarHBondContact NE1-O 3.15Å; W133-S524 PolarHBondContact NE1-OG 3.45Å; W133-F525 VanDerWaalsContact CD1-C 3.41Å; W133-Y531 HydrophobicContact CH2-CG 4.37Å; W133-L533 HydrophobicContact CZ2-CB 4.2Å; W133-V546 HydrophobicContact CH2-CG1 3.85Å; W133-V546 HydrophobicContact CH2-CG2 4.48Å; W133-V546 HydrophobicContact CZ2-CG1 4.2Å
134	L	93.2	Very high	93.7	Very high	64 Å²	64	51.1 Å²	51.1	34%	0.335	24%	0.241	S	C	.	.	S	Bend	trans	-94	-30.7	171.6	-60.6	179.1	0	0	0	111.9	D138 L140 R150 M181	L134-D138 HydrophobicContact CB-CB 4.11Å; L134-D138 PolarHBondContact N-O 3.33Å; L134-L140 HydrophobicContact CD1-CB 3.99Å; L134-L140 HydrophobicContact CD1-CD1 4.32Å; L134-L140 HydrophobicContact CD2-CB 3.95Å; L134-L140 HydrophobicContact CD2-CD2 4.45Å; L134-L140 HydrophobicContact CG-CB 3.84Å; L134-R150 HydrophobicContact CD1-CG 4.41Å; L134-M181 HydrophobicContact CD1-CE 3.71Å; L134-M181 HydrophobicContact CD1-SD 3.99Å; L134-M181 HydrophobicContact CD2-SD 4.32Å
135	S	93.6	Very high	93.7	Very high	34 Å²	34	56.9 Å²	56.9	24%	0.238	27%	0.271	C	S	.	.	S	Bend	trans	-147	-159.6	-176.4	77.6	0	0	0	0	111	K137 D138 H527	S135-K137 VanDerWaalsContact C-N 3.27Å; S135-K137 PolarHBondContact OG-N 3.34Å; S135-K137 VanDerWaalsContact OG-N 3.13Å; S135-D138 PolarHBondContact N-O 2.81Å; S135-D138 VanDerWaalsContact OG-CB 3.3Å; S135-D138 WeakPolarHBondContact OG-CB 3.29Å; S135-D138 VanDerWaalsContact OG-CG 3.31Å; S135-D138 PolarHBondContact OG-N 3.46Å; S135-D138 PolarHBondContact OG-OD2 3.05Å; S135-H527 VanDerWaalsContact C-ND1 3.28Å; S135-H527 WeakPolarHBondContact CA-ND1 3.31Å; S135-H527 PolarHBondContact O-N 2.81Å; S135-H527 PolarHBondContact O-ND1 2.78Å
136	D	94.2	Very high	93.8	Very high	67 Å²	67	48.5 Å²	48.5	36%	0.358	24%	0.244	S	C	.	.	S	Bend	trans	-69.1	-25.1	169.4	-69.7	-27.5	0	0	0	113.1	S526 H527 N528	D136-S526 VanDerWaalsContact O-CB 3.25Å; D136-S526 WeakPolarHBondContact O-CB 3.27Å; D136-H527 VanDerWaalsContact OD1-CB 3.23Å; D136-H527 WeakPolarHBondContact OD1-CB 3.45Å; D136-N528 HydrophobicContact CB-CB 4.35Å; D136-N528 WeakPolarHBondContact OD1-CB 3.43Å; D136-N528 PolarHBondContact OD1-N 3.34Å
137	K	94.6	Very high	93.9	Very high	61 Å²	61	47.5 Å²	47.5	27%	0.265	24%	0.239	S	C	.	.	S	Bend	trans	-134.3	-15.2	-169.1	-57.3	-172.6	-174.4	-170.7	0	114.3	S135 V153 E154	S135-K137 VanDerWaalsContact C-N 3.27Å; S135-K137 PolarHBondContact OG-N 3.34Å; S135-K137 VanDerWaalsContact OG-N 3.13Å; K137-V153 WeakPolarHBondContact O-CB 3.48Å; K137-V153 WeakPolarHBondContact O-CG2 3.23Å; K137-V153 PolarHBondContact O-N 2.66Å; K137-E154 HydrophobicContact CD-CB 4.1Å; K137-E154 WeakPolarHBondContact CD-OE2 3.43Å; K137-E154 IonicContact NZ-OE1 3.03Å; K137-E154 PolarHBondContact NZ-OE1 3.01Å; K137-E154 IonicContact NZ-OE2 3.66Å; K137-E154 PolarHBondContact NZ-OE2 3.4Å
138	D	95.8	Very high	94	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.5	-179.1	-58.6	-75.3	0	0	0	111.2	L134 S135 R150 L151 N152	L134-D138 HydrophobicContact CB-CB 4.11Å; L134-D138 PolarHBondContact N-O 3.33Å; S135-D138 PolarHBondContact N-O 2.81Å; S135-D138 VanDerWaalsContact OG-CB 3.3Å; S135-D138 WeakPolarHBondContact OG-CB 3.29Å; S135-D138 VanDerWaalsContact OG-CG 3.31Å; S135-D138 PolarHBondContact OG-N 3.46Å; S135-D138 PolarHBondContact OG-OD2 3.05Å; D138-R150 HydrophobicContact CB-CG 4.41Å; D138-R150 IonicContact OD1-CZ 3.72Å; D138-R150 VanDerWaalsContact OD1-CZ 3.3Å; D138-R150 IonicContact OD1-NE 3.89Å; D138-R150 PolarHBondContact OD1-NE 2.85Å; D138-R150 IonicContact OD1-NH2 3.54Å; D138-R150 PolarHBondContact OD1-NH2 3.2Å; D138-R150 IonicContact OD2-CZ 3.63Å; D138-R150 IonicContact OD2-NE 2.72Å; D138-R150 IonicContact OD2-NH2 2.74Å; D138-R150 PolarHBondContact OD2-NH2 2.86Å; D138-L151 WeakPolarHBondContact CA-O 3.48Å; D138-N152 PolarHBondContact OD1-ND2 2.76Å
139	L	96.3	Very high	94.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.3	174.5	-174.3	77.5	0	0	0	109.2	A131 W133 Y141 R150 L151 V153 L533 V546 V558	A131-L139 HydrophobicContact CB-CD1 4.4Å; A131-L139 HydrophobicContact CB-CD2 4.4Å; W133-L139 HydrophobicContact CD2-CD1 3.86Å; W133-L139 HydrophobicContact CE3-CB 4.34Å; W133-L139 HydrophobicContact CE3-CD1 4.17Å; W133-L139 HydrophobicContact CG-CD1 4.19Å; W133-L139 HydrophobicContact CZ2-CD1 4.36Å; W133-L139 HydrophobicContact CZ3-CB 4.32Å; L139-Y141 HydrophobicContact CD2-CD1 4.38Å; L139-R150 CarbonylContact O-C 3.42Å; L139-R150 WeakPolarHBondContact O-CA 3.34Å; L139-L151 HydrophobicContact CB-CB 4.5Å; L139-L151 PolarHBondContact N-O 2.67Å; L139-L151 PolarHBondContact O-N 3.21Å; L139-V153 HydrophobicContact CB-CG2 4.49Å; L139-L533 HydrophobicContact CD1-CD1 4.3Å; L139-L533 HydrophobicContact CD2-CD1 3.86Å; L139-V546 HydrophobicContact CD2-CG2 3.88Å; L139-V558 HydrophobicContact CD2-CG1 4.46Å; L139-V558 HydrophobicContact CD2-CG2 3.78Å
140	L	96.2	Very high	94.2	Very high	15 Å²	15	46.2 Å²	46.2	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.2	167.2	-171.5	81	0	0	0	109.2	A131 K132 L134 V148 L149 L177 M181	A131-L140 CarbonylContact C-O 3.59Å; A131-L140 VanDerWaalsContact CA-O 3.28Å; A131-L140 WeakPolarHBondContact CA-O 3.46Å; K132-L140 PolarHBondContact N-O 3.35Å; K132-L140 PolarHBondContact O-N 2.7Å; L134-L140 HydrophobicContact CD1-CB 3.99Å; L134-L140 HydrophobicContact CD1-CD1 4.32Å; L134-L140 HydrophobicContact CD2-CB 3.95Å; L134-L140 HydrophobicContact CD2-CD2 4.45Å; L134-L140 HydrophobicContact CG-CB 3.84Å; L140-V148 HydrophobicContact CD1-CG1 3.63Å; L140-V148 HydrophobicContact CD2-CG1 4.31Å; L140-V148 HydrophobicContact CG-CG1 3.94Å; L140-L149 WeakPolarHBondContact CA-O 3.19Å; L140-L177 HydrophobicContact CD1-CD1 3.63Å; L140-L177 HydrophobicContact CD2-CD1 3.74Å; L140-L177 HydrophobicContact CG-CD1 4.32Å; L140-M181 HydrophobicContact CD1-CE 4.07Å
141	Y	96.1	Very high	94.4	Very high	8 Å²	8	42.2 Å²	42.2	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	163.6	174	65.4	-69.7	0	0	0	110.8	P129 L139 V148 L149 L151 E158 V558	P129-Y141 HydrophobicContact CB-CD2 4.45Å; L139-Y141 HydrophobicContact CD2-CD1 4.38Å; Y141-V148 WeakPolarHBondContact O-CA 3.19Å; Y141-L149 HydrophobicContact CD1-CB 4.33Å; Y141-L149 HydrophobicContact CE1-CB 3.7Å; Y141-L149 HydrophobicContact CE2-CB 4.34Å; Y141-L149 HydrophobicContact CE2-CD1 3.99Å; Y141-L149 PolarHBondContact N-O 2.87Å; Y141-L149 PolarHBondContact O-N 2.85Å; Y141-L149 WeakPolarHBondContact OH-CD1 3.37Å; Y141-L151 HydrophobicContact CD1-CB 4.44Å; Y141-L151 HydrophobicContact CE1-CB 3.68Å; Y141-E158 PolarHBondContact OH-OE1 3.28Å; Y141-V558 HydrophobicContact CD1-CG1 4.48Å; Y141-V558 HydrophobicContact CD2-CG1 3.53Å; Y141-V558 HydrophobicContact CE2-CG1 4.08Å; Y141-V558 HydrophobicContact CG-CG1 3.77Å
142	R	94.9	Very high	94.5	Very high	69 Å²	69	43.2 Å²	43.2	26%	0.26	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.1	173.5	-159.6	178.8	-169.7	-174.2	-0.3	109.5	H127 P129 G146 N147 V148	H127-R142 PolarHBondContact CE1-O 2.79Å; P129-R142 WeakPolarHBondContact CA-O 3.22Å; P129-R142 WeakPolarHBondContact CB-O 3.4Å; P129-R142 PolarHBondContact O-N 2.71Å; R142-G146 PolarHBondContact NE-O 2.96Å; R142-G146 VanDerWaalsContact NE-O 3.12Å; R142-N147 WeakPolarHBondContact CA-O 3.38Å; R142-V148 HydrophobicContact CG-CG2 4.47Å
143	S	93.8	Very high	94.4	Very high	18 Å²	18	37 Å²	37	13%	0.126	18%	0.181	C	C	.	.			trans	-81.6	158.7	170.1	60.9	0	0	0	0	111.3	H127 D145 G146 N147	H127-S143 VanDerWaalsContact CE1-C 3.41Å; S143-D145 PolarHBondContact O-N 2.89Å; S143-G146 WeakPolarHBondContact O-CA 3.33Å; S143-G146 PolarHBondContact O-N 3.23Å; S143-N147 PolarHBondContact N-O 2.79Å; S143-N147 WeakPolarHBondContact OG-CB 3.24Å; S143-N147 PolarHBondContact OG-N 2.85Å; S143-N147 VanDerWaalsContact OG-N 3.14Å; S143-N147 PolarHBondContact OG-O 2.96Å
144	R	89.1	Confident	94.3	Very high	80 Å²	80	41.1 Å²	41.1	30%	0.302	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.3	178.2	-167.2	175.2	-173.6	130.7	0.6	113.2	A122 H127 G146	A122-R144 PolarHBondContact O-NH2 2.92Å; H127-R144 HydrophobicContact CB-CG 4.39Å; H127-R144 PolarHBondContact CE1-N 2.96Å; H127-R144 VanDerWaalsContact CE1-N 3.32Å; R144-G146 PolarHBondContact O-N 3.13Å
145	D	89.8	Confident	94.3	Very high	129 Å²	129	42.4 Å²	42.4	69%	0.69	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	0.7	173.5	-53.2	-48.6	0	0	0	113.1	S143 S164	S143-D145 PolarHBondContact O-N 2.89Å; D145-S164 WeakPolarHBondContact O-CB 3.34Å; D145-S164 PolarHBondContact O-OG 2.84Å
146	G	90.6	Very high	94.2	Very high	12 Å²	12	46.3 Å²	46.3	12%	0.124	23%	0.227	C	C	.	.	S	Bend	trans	90.9	-10.4	174.1	0	0	0	0	0	115.2	R142 S143 R144	R142-G146 PolarHBondContact NE-O 2.96Å; R142-G146 VanDerWaalsContact NE-O 3.12Å; S143-G146 WeakPolarHBondContact O-CA 3.33Å; S143-G146 PolarHBondContact O-N 3.23Å; R144-G146 PolarHBondContact O-N 3.13Å
147	N	94.8	Very high	94.2	Very high	36 Å²	36	48.3 Å²	48.3	19%	0.193	23%	0.232	C	C	.	.			trans	-66.5	140.8	177	-55.6	-61.8	0	0	0	111	R142 S143 L149 T160 V162 P163 S164	R142-N147 WeakPolarHBondContact CA-O 3.38Å; S143-N147 PolarHBondContact N-O 2.79Å; S143-N147 WeakPolarHBondContact OG-CB 3.24Å; S143-N147 PolarHBondContact OG-N 2.85Å; S143-N147 VanDerWaalsContact OG-N 3.14Å; S143-N147 PolarHBondContact OG-O 2.96Å; N147-L149 HydrophobicContact CB-CD2 4.07Å; N147-T160 HydrophobicContact CB-CG2 4.38Å; N147-V162 WeakPolarHBondContact CA-O 3.49Å; N147-P163 WeakPolarHBondContact OD1-CA 3.36Å; N147-S164 PolarHBondContact OD1-N 2.76Å; N147-S164 PolarHBondContact OD1-OG 2.72Å
148	V	95.8	Very high	94.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.6	171.1	-173.6	0	0	0	0	108.7	L140 Y141 R142 I161 V162 F167 Y175 L177	L140-V148 HydrophobicContact CD1-CG1 3.63Å; L140-V148 HydrophobicContact CD2-CG1 4.31Å; L140-V148 HydrophobicContact CG-CG1 3.94Å; Y141-V148 WeakPolarHBondContact O-CA 3.19Å; R142-V148 HydrophobicContact CG-CG2 4.47Å; V148-I161 PolarHBondContact O-N 3.18Å; V148-V162 HydrophobicContact CB-CB 3.81Å; V148-V162 HydrophobicContact CB-CG2 4.01Å; V148-V162 HydrophobicContact CG2-CB 3.89Å; V148-V162 HydrophobicContact CG2-CG2 4.25Å; V148-V162 PolarHBondContact N-O 2.98Å; V148-V162 PolarHBondContact O-N 2.98Å; V148-F167 HydrophobicContact CG2-CE2 3.96Å; V148-F167 HydrophobicContact CG2-CZ 3.72Å; V148-Y175 HydrophobicContact CB-CE2 4.4Å; V148-Y175 HydrophobicContact CG1-CE2 3.94Å; V148-Y175 HydrophobicContact CG2-CD2 4.25Å; V148-Y175 HydrophobicContact CG2-CE1 4.19Å; V148-Y175 HydrophobicContact CG2-CE2 3.59Å; V148-L177 HydrophobicContact CG1-CD1 4.18Å
149	L	95.9	Very high	94.2	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.4	-172.6	-55	-179	0	0	0	110.3	L140 Y141 N147 D159 T160	L140-L149 WeakPolarHBondContact CA-O 3.19Å; Y141-L149 HydrophobicContact CD1-CB 4.33Å; Y141-L149 HydrophobicContact CE1-CB 3.7Å; Y141-L149 HydrophobicContact CE2-CB 4.34Å; Y141-L149 HydrophobicContact CE2-CD1 3.99Å; Y141-L149 PolarHBondContact N-O 2.87Å; Y141-L149 PolarHBondContact O-N 2.85Å; Y141-L149 WeakPolarHBondContact OH-CD1 3.37Å; N147-L149 HydrophobicContact CB-CD2 4.07Å; L149-D159 WeakPolarHBondContact CA-O 3.44Å; L149-T160 HydrophobicContact CD2-CG2 4.15Å; L149-T160 VanDerWaalsContact CD2-OG1 3.27Å; L149-T160 WeakPolarHBondContact CD2-OG1 3.35Å
150	R	96.2	Very high	94.2	Very high	87 Å²	87	56.3 Å²	56.3	33%	0.328	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.6	164.9	174.8	-174.9	175.2	172.1	1.7	108	L134 D138 L139 E158 D159 I161	L134-R150 HydrophobicContact CD1-CG 4.41Å; D138-R150 HydrophobicContact CB-CG 4.41Å; D138-R150 IonicContact OD1-CZ 3.72Å; D138-R150 VanDerWaalsContact OD1-CZ 3.3Å; D138-R150 IonicContact OD1-NE 3.89Å; D138-R150 PolarHBondContact OD1-NE 2.85Å; D138-R150 IonicContact OD1-NH2 3.54Å; D138-R150 PolarHBondContact OD1-NH2 3.2Å; D138-R150 IonicContact OD2-CZ 3.63Å; D138-R150 IonicContact OD2-NE 2.72Å; D138-R150 IonicContact OD2-NH2 2.74Å; D138-R150 PolarHBondContact OD2-NH2 2.86Å; L139-R150 CarbonylContact O-C 3.42Å; L139-R150 WeakPolarHBondContact O-CA 3.34Å; R150-E158 CarbonylContact O-C 3.58Å; R150-E158 WeakPolarHBondContact O-CA 3.41Å; R150-D159 PolarHBondContact N-O 3.35Å; R150-D159 PolarHBondContact O-N 2.94Å; R150-I161 HydrophobicContact CB-CD1 3.91Å; R150-I161 HydrophobicContact CB-CG1 3.74Å
151	L	96.3	Very high	94.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.7	169.5	168.8	68.4	0	0	0	109.3	D138 L139 Y141 V153 E158 F556	D138-L151 WeakPolarHBondContact CA-O 3.48Å; L139-L151 HydrophobicContact CB-CB 4.5Å; L139-L151 PolarHBondContact N-O 2.67Å; L139-L151 PolarHBondContact O-N 3.21Å; Y141-L151 HydrophobicContact CD1-CB 4.44Å; Y141-L151 HydrophobicContact CE1-CB 3.68Å; L151-V153 HydrophobicContact CD2-CG2 4.13Å; L151-V153 HydrophobicContact CG-CG2 4.24Å; L151-E158 HydrophobicContact CD1-CG 4Å; L151-F556 HydrophobicContact CD1-CD2 4.43Å; L151-F556 HydrophobicContact CD1-CE2 4.37Å; L151-F556 HydrophobicContact CD2-CB 4.23Å; L151-F556 HydrophobicContact CD2-CD1 3.41Å; L151-F556 VanDerWaalsContact CD2-CD1 3.41Å; L151-F556 HydrophobicContact CD2-CD2 4.3Å; L151-F556 HydrophobicContact CD2-CE1 3.79Å; L151-F556 HydrophobicContact CD2-CG 3.7Å; L151-F556 HydrophobicContact CD2-CZ 4.39Å
152	N	96.4	Very high	94	Very high	36 Å²	36	57 Å²	57	19%	0.193	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	109.5	162.4	-175.9	-86.4	0	0	0	109.2	D138 E154 T155 Q156 K157	D138-N152 PolarHBondContact OD1-ND2 2.76Å; N152-E154 VanDerWaalsContact C-N 3.29Å; N152-E154 PolarHBondContact O-N 3.27Å; N152-T155 WeakPolarHBondContact CB-OG1 3.19Å; N152-T155 PolarHBondContact O-N 3.34Å; N152-T155 PolarHBondContact OD1-N 2.99Å; N152-T155 VanDerWaalsContact OD1-N 3.13Å; N152-T155 PolarHBondContact OD1-OG1 2.72Å; N152-Q156 VanDerWaalsContact O-CA 3.32Å; N152-Q156 WeakPolarHBondContact O-CA 3.32Å; N152-Q156 PolarHBondContact O-N 3.32Å; N152-K157 PolarHBondContact N-O 2.69Å; N152-K157 PolarHBondContact O-N 2.6Å
153	V	94.5	Very high	94	Very high	2 Å²	2	56 Å²	56	1%	0.012	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.7	-168.4	173.7	0	0	0	0	113.4	W133 K137 L139 L151 Y531 V546 V555	W133-V153 HydrophobicContact CH2-CG2 3.97Å; W133-V153 HydrophobicContact CZ3-CG2 3.91Å; K137-V153 WeakPolarHBondContact O-CB 3.48Å; K137-V153 WeakPolarHBondContact O-CG2 3.23Å; K137-V153 PolarHBondContact O-N 2.66Å; L139-V153 HydrophobicContact CB-CG2 4.49Å; L151-V153 HydrophobicContact CD2-CG2 4.13Å; L151-V153 HydrophobicContact CG-CG2 4.24Å; V153-Y531 HydrophobicContact CG1-CD1 3.76Å; V153-Y531 HydrophobicContact CG1-CD2 4.41Å; V153-Y531 HydrophobicContact CG1-CE1 3.79Å; V153-Y531 HydrophobicContact CG1-CE2 4.45Å; V153-Y531 HydrophobicContact CG1-CG 4.09Å; V153-V546 HydrophobicContact CG1-CG1 3.77Å; V153-V546 HydrophobicContact CG2-CG1 4.18Å; V153-V546 HydrophobicContact CG2-CG2 4.48Å; V153-V555 HydrophobicContact CG1-CB 4.45Å; V153-V555 HydrophobicContact CG1-CG1 3.82Å
154	E	91.4	Very high	94	Very high	112 Å²	112	56.3 Å²	56.3	52%	0.523	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-39	-179.2	178.2	174.3	-114.5	0	0	112.8	K137 N152	K137-E154 HydrophobicContact CD-CB 4.1Å; K137-E154 WeakPolarHBondContact CD-OE2 3.43Å; K137-E154 IonicContact NZ-OE1 3.03Å; K137-E154 PolarHBondContact NZ-OE1 3.01Å; K137-E154 IonicContact NZ-OE2 3.66Å; K137-E154 PolarHBondContact NZ-OE2 3.4Å; N152-E154 VanDerWaalsContact C-N 3.29Å; N152-E154 PolarHBondContact O-N 3.27Å
155	T	94	Very high	94.1	Very high	92 Å²	92	58.2 Å²	58.2	56%	0.564	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.1	178.6	57.7	0	0	0	0	113.4	N152 K157	N152-T155 WeakPolarHBondContact CB-OG1 3.19Å; N152-T155 PolarHBondContact O-N 3.34Å; N152-T155 PolarHBondContact OD1-N 2.99Å; N152-T155 VanDerWaalsContact OD1-N 3.13Å; N152-T155 PolarHBondContact OD1-OG1 2.72Å; T155-K157 PolarHBondContact O-N 2.7Å; T155-K157 VanDerWaalsContact O-N 3.13Å
156	Q	92.3	Very high	94.2	Very high	116 Å²	116	52.6 Å²	52.6	54%	0.542	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	25.2	-171	-63.3	179.8	-31.5	0	0	113.7	N152 V555	N152-Q156 VanDerWaalsContact O-CA 3.32Å; N152-Q156 WeakPolarHBondContact O-CA 3.32Å; N152-Q156 PolarHBondContact O-N 3.32Å; Q156-V555 PolarHBondContact NE2-O 2.88Å
157	K	94.6	Very high	94.2	Very high	109 Å²	109	52.6 Å²	52.6	47%	0.474	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128	177.7	-174.3	173.4	179.5	-75	0	110.5	N152 T155 D159	N152-K157 PolarHBondContact N-O 2.69Å; N152-K157 PolarHBondContact O-N 2.6Å; T155-K157 PolarHBondContact O-N 2.7Å; T155-K157 VanDerWaalsContact O-N 3.13Å; K157-D159 IonicContact NZ-OD1 2.93Å; K157-D159 PolarHBondContact NZ-OD1 3.24Å; K157-D159 IonicContact NZ-OD2 2.8Å; K157-D159 PolarHBondContact NZ-OD2 3.18Å
158	E	94.8	Very high	93.8	Very high	89 Å²	89	58 Å²	58	42%	0.416	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.6	171.8	-62.8	179.8	166.2	0	0	110.5	Y141 R150 L151 F556	Y141-E158 PolarHBondContact OH-OE1 3.28Å; R150-E158 CarbonylContact O-C 3.58Å; R150-E158 WeakPolarHBondContact O-CA 3.41Å; L151-E158 HydrophobicContact CD1-CG 4Å; E158-F556 WeakPolarHBondContact OE1-CZ 3.5Å
159	D	94.9	Very high	93.5	Very high	70 Å²	70	67.3 Å²	67.3	37%	0.374	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127	172.7	-76.6	-47.3	0	0	0	110	L149 R150 K157 I161	L149-D159 WeakPolarHBondContact CA-O 3.44Å; R150-D159 PolarHBondContact N-O 3.35Å; R150-D159 PolarHBondContact O-N 2.94Å; K157-D159 IonicContact NZ-OD1 2.93Å; K157-D159 PolarHBondContact NZ-OD1 3.24Å; K157-D159 IonicContact NZ-OD2 2.8Å; K157-D159 PolarHBondContact NZ-OD2 3.18Å; D159-I161 PolarHBondContact O-N 3.1Å
160	T	95.3	Very high	93	Very high	87 Å²	87	67.5 Å²	67.5	53%	0.534	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116	176.4	-59.5	0	0	0	0	110.2	N147 L149 P163	N147-T160 HydrophobicContact CB-CG2 4.38Å; L149-T160 HydrophobicContact CD2-CG2 4.15Å; L149-T160 VanDerWaalsContact CD2-OG1 3.27Å; L149-T160 WeakPolarHBondContact CD2-OG1 3.35Å; T160-P163 HydrophobicContact CG2-CB 4.45Å
161	I	94.8	Very high	92.7	Very high	36 Å²	36	71.7 Å²	71.7	19%	0.185	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-43.5	-179.2	-53.9	-57	0	0	0	111.1	V148 R150 D159 L177 M181 L207	V148-I161 PolarHBondContact O-N 3.18Å; R150-I161 HydrophobicContact CB-CD1 3.91Å; R150-I161 HydrophobicContact CB-CG1 3.74Å; D159-I161 PolarHBondContact O-N 3.1Å; I161-L177 HydrophobicContact CG2-CD1 3.99Å; I161-L177 HydrophobicContact CG2-CD2 3.84Å; I161-M181 HydrophobicContact CD1-CE 4.28Å; I161-M181 HydrophobicContact CG1-CE 3.99Å; I161-M181 HydrophobicContact CG2-CE 3.9Å; I161-L207 HydrophobicContact CG2-CD1 3.71Å; I161-L207 WeakPolarHBondContact O-CD2 3.46Å
162	V	94.3	Very high	92.5	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	108.5	-179.8	-164.1	0	0	0	0	109.1	N147 V148 L166 F167 L177 V184 F186	N147-V162 WeakPolarHBondContact CA-O 3.49Å; V148-V162 HydrophobicContact CB-CB 3.81Å; V148-V162 HydrophobicContact CB-CG2 4.01Å; V148-V162 HydrophobicContact CG2-CB 3.89Å; V148-V162 HydrophobicContact CG2-CG2 4.25Å; V148-V162 PolarHBondContact N-O 2.98Å; V148-V162 PolarHBondContact O-N 2.98Å; V162-L166 HydrophobicContact CG1-CD2 4Å; V162-F167 HydrophobicContact CB-CE2 4.21Å; V162-F167 HydrophobicContact CG1-CD2 4.36Å; V162-F167 HydrophobicContact CG1-CE2 3.66Å; V162-F167 HydrophobicContact CG1-CZ 4.22Å; V162-L177 HydrophobicContact CG2-CD1 4.34Å; V162-L177 HydrophobicContact CG2-CD2 4.12Å; V162-L177 HydrophobicContact CG2-CG 4.41Å; V162-V184 HydrophobicContact CG1-CG2 4.29Å; V162-V184 HydrophobicContact CG2-CG2 3.68Å; V162-F186 HydrophobicContact CG1-CE1 4.4Å; V162-F186 HydrophobicContact CG1-CZ 3.88Å
163	P	93.9	Very high	92.2	Very high	50 Å²	50	73.9 Å²	73.9	33%	0.325	37%	0.372	S	S	.	.			trans	-74.4	149.4	-179.6	31.5	-35.4	0	0	0	111.5	N147 T160 Q165 L166	N147-P163 WeakPolarHBondContact OD1-CA 3.36Å; T160-P163 HydrophobicContact CG2-CB 4.45Å; P163-Q165 VanDerWaalsContact C-N 3.29Å; P163-Q165 PolarHBondContact O-N 3.16Å; P163-L166 HydrophobicContact CG-CB 4.32Å; P163-L166 WeakPolarHBondContact O-CB 2.86Å; P163-L166 PolarHBondContact O-N 3.1Å; P163-L166 VanDerWaalsContact O-N 3.09Å
164	S	93.6	Very high	92.1	Very high	24 Å²	24	79.2 Å²	79.2	17%	0.168	39%	0.391	C	S	.	.	H	α-helix	trans	-60.4	-34.7	-174.7	60.2	0	0	0	0	113.4	D145 N147 L166 F167 E168	D145-S164 WeakPolarHBondContact O-CB 3.34Å; D145-S164 PolarHBondContact O-OG 2.84Å; N147-S164 PolarHBondContact OD1-N 2.76Å; N147-S164 PolarHBondContact OD1-OG 2.72Å; S164-L166 PolarHBondContact O-N 3.28Å; S164-L166 VanDerWaalsContact O-N 3.12Å; S164-F167 WeakPolarHBondContact O-CB 3.48Å; S164-F167 PolarHBondContact O-N 3.37Å; S164-E168 PolarHBondContact O-N 3.22Å
165	Q	92.1	Very high	92.2	Very high	120 Å²	120	76.2 Å²	76.2	56%	0.561	38%	0.376	S	S	*	.	H	α-helix	trans	-61.4	-24.6	178.5	-55.6	86.6	8.2	0	0	112.8	P163 E168 R169	P163-Q165 VanDerWaalsContact C-N 3.29Å; P163-Q165 PolarHBondContact O-N 3.16Å; Q165-E168 PolarHBondContact O-N 3.46Å; Q165-R169 WeakPolarHBondContact O-CB 3.09Å; Q165-R169 PolarHBondContact O-N 2.96Å
166	L	91.3	Very high	92.2	Very high	11 Å²	11	75.5 Å²	75.5	6%	0.058	37%	0.366	C	S	.	.	H	α-helix	trans	-72	-30.6	177.5	-175	59.7	0	0	0	112.3	V162 P163 S164 S170 F186 Y205	V162-L166 HydrophobicContact CG1-CD2 4Å; P163-L166 HydrophobicContact CG-CB 4.32Å; P163-L166 WeakPolarHBondContact O-CB 2.86Å; P163-L166 PolarHBondContact O-N 3.1Å; P163-L166 VanDerWaalsContact O-N 3.09Å; S164-L166 PolarHBondContact O-N 3.28Å; S164-L166 VanDerWaalsContact O-N 3.12Å; L166-S170 VanDerWaalsContact O-CB 3.25Å; L166-S170 WeakPolarHBondContact O-CB 3.21Å; L166-S170 PolarHBondContact O-N 2.67Å; L166-S170 PolarHBondContact O-OG 2.85Å; L166-F186 HydrophobicContact CD1-CE2 4.48Å; L166-F186 HydrophobicContact CD2-CE2 3.83Å; L166-F186 HydrophobicContact CD2-CZ 3.82Å; L166-F186 HydrophobicContact CG-CE2 3.79Å; L166-F186 HydrophobicContact CG-CZ 3.78Å; L166-Y205 HydrophobicContact CD1-CD1 4.49Å; L166-Y205 HydrophobicContact CD1-CD2 3.86Å; L166-Y205 HydrophobicContact CD1-CE1 4.23Å; L166-Y205 HydrophobicContact CD1-CE2 3.57Å; L166-Y205 HydrophobicContact CD1-CG 4.3Å; L166-Y205 HydrophobicContact CD2-CD1 3.55Å; L166-Y205 HydrophobicContact CD2-CD2 4.37Å; L166-Y205 HydrophobicContact CD2-CE1 3.44Å; L166-Y205 VanDerWaalsContact CD2-CE1 3.44Å; L166-Y205 HydrophobicContact CD2-CE2 4.3Å; L166-Y205 HydrophobicContact CD2-CG 4.01Å; L166-Y205 HydrophobicContact CG-CE1 4.5Å
167	F	90.3	Very high	92.3	Very high	12 Å²	12	70.9 Å²	70.9	5%	0.053	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-43.9	172.7	-70.8	-98.6	0	0	0	111	V148 V162 S164 S170 K171 A172 Y175 F186	V148-F167 HydrophobicContact CG2-CE2 3.96Å; V148-F167 HydrophobicContact CG2-CZ 3.72Å; V162-F167 HydrophobicContact CB-CE2 4.21Å; V162-F167 HydrophobicContact CG1-CD2 4.36Å; V162-F167 HydrophobicContact CG1-CE2 3.66Å; V162-F167 HydrophobicContact CG1-CZ 4.22Å; S164-F167 WeakPolarHBondContact O-CB 3.48Å; S164-F167 PolarHBondContact O-N 3.37Å; F167-S170 CarbonylContact O-C 3.58Å; F167-S170 PolarHBondContact O-N 2.69Å; F167-K171 CarbonylContact O-C 3.55Å; F167-K171 WeakPolarHBondContact O-CA 3.25Å; F167-K171 PolarHBondContact O-N 2.79Å; F167-A172 HydrophobicContact CD1-CB 4.2Å; F167-A172 PolarHBondContact O-N 2.88Å; F167-Y175 AromaticContact CE1-CD1 3.59Å; F167-Y175 HydrophobicContact CE1-CD1 3.59Å; F167-Y175 HydrophobicContact CE1-CE1 4.38Å; F167-Y175 AromaticContact CE1-CG 3.78Å; F167-Y175 HydrophobicContact CE1-CG 3.78Å; F167-Y175 AromaticContact CZ-CD1 3.78Å; F167-Y175 HydrophobicContact CZ-CD1 3.78Å; F167-Y175 HydrophobicContact CZ-CD2 4.32Å; F167-Y175 HydrophobicContact CZ-CE1 4.26Å; F167-Y175 AromaticContact CZ-CG 3.82Å; F167-Y175 HydrophobicContact CZ-CG 3.82Å; F167-F186 HydrophobicContact CD1-CD1 4.49Å; F167-F186 AromaticContact CD1-CE1 3.96Å; F167-F186 HydrophobicContact CD1-CE1 3.96Å; F167-F186 HydrophobicContact CE1-CD1 4.47Å; F167-F186 AromaticContact CE1-CE1 3.87Å; F167-F186 HydrophobicContact CE1-CE1 3.87Å; F167-F186 HydrophobicContact CE2-CE1 4.47Å; F167-F186 HydrophobicContact CG-CE1 4.32Å; F167-F186 HydrophobicContact CZ-CE1 4.13Å
168	E	88.3	Confident	92.4	Very high	150 Å²	150	65.8 Å²	65.8	70%	0.701	32%	0.323	S	S	*	.	H	α-helix	trans	-63.9	-49.7	177.5	-62.9	-177.7	167.5	0	0	111.3	S164 Q165 S170 K171	S164-E168 PolarHBondContact O-N 3.22Å; Q165-E168 PolarHBondContact O-N 3.46Å; E168-S170 PolarHBondContact O-N 3.37Å; E168-K171 PolarHBondContact O-N 3.44Å
169	R	88.9	Confident	92.3	Very high	195 Å²	195	64.3 Å²	64.3	74%	0.736	32%	0.321	S	S	*	.	H	α-helix	trans	-56.5	-37.9	176.8	-175.4	178.5	178.5	-167.4	-2.3	112.4	Q165	Q165-R169 WeakPolarHBondContact O-CB 3.09Å; Q165-R169 PolarHBondContact O-N 2.96Å
170	S	85.7	Confident	92.2	Very high	20 Å²	20	63 Å²	63	14%	0.14	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.4	-179.8	-48.7	0	0	0	0	113.7	L166 F167 E168 A172	L166-S170 VanDerWaalsContact O-CB 3.25Å; L166-S170 WeakPolarHBondContact O-CB 3.21Å; L166-S170 PolarHBondContact O-N 2.67Å; L166-S170 PolarHBondContact O-OG 2.85Å; F167-S170 CarbonylContact O-C 3.58Å; F167-S170 PolarHBondContact O-N 2.69Å; E168-S170 PolarHBondContact O-N 3.37Å; S170-A172 PolarHBondContact O-N 2.88Å; S170-A172 VanDerWaalsContact O-N 3.15Å
171	K	89.4	Confident	92.1	Very high	175 Å²	175	60.8 Å²	60.8	76%	0.761	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	34.9	-169.5	-58.4	-178	-179	179.5	0	113.1	F167 E168 A173 F188	F167-K171 CarbonylContact O-C 3.55Å; F167-K171 WeakPolarHBondContact O-CA 3.25Å; F167-K171 PolarHBondContact O-N 2.79Å; E168-K171 PolarHBondContact O-N 3.44Å; K171-A173 PolarHBondContact O-N 3.17Å; K171-F188 VanDerWaalsContact O-CB 3.29Å; K171-F188 WeakPolarHBondContact O-CB 2.79Å
172	A	90.8	Very high	92	Very high	15 Å²	15	64 Å²	64	12%	0.124	31%	0.311	C	S	.	.			trans	-80.3	119.4	-168.7	0	0	0	0	0	111.8	F167 S170 F186	F167-A172 HydrophobicContact CD1-CB 4.2Å; F167-A172 PolarHBondContact O-N 2.88Å; S170-A172 PolarHBondContact O-N 2.88Å; S170-A172 VanDerWaalsContact O-N 3.15Å; A172-F186 HydrophobicContact CB-CB 3.78Å; A172-F186 HydrophobicContact CB-CD1 3.36Å; A172-F186 HydrophobicContact CB-CE1 4.1Å; A172-F186 HydrophobicContact CB-CG 3.76Å
173	A	90.7	Very high	92.1	Very high	67 Å²	67	64.7 Å²	64.7	55%	0.554	31%	0.314	S	S	*	.	S	Bend	trans	-85.4	-27.5	174.8	0	0	0	0	0	112.5	K171 A187 V190	K171-A173 PolarHBondContact O-N 3.17Å; A173-A187 PolarHBondContact N-O 2.9Å; A173-V190 HydrophobicContact CB-CB 4.42Å; A173-V190 HydrophobicContact CB-CG2 3.85Å
174	R	91.8	Very high	92.2	Very high	114 Å²	114	62.3 Å²	62.3	43%	0.43	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.7	176.4	-63.1	-179.6	172	132.8	-4.6	110.8	A187 F198	R174-A187 HydrophobicContact CB-CB 4.2Å; R174-A187 PolarHBondContact N-O 3.01Å; R174-A187 PolarHBondContact O-N 3.29Å; R174-F198 VanDerWaalsContact NH1-CE2 3.32Å; R174-F198 VanDerWaalsContact NH1-CZ 3.32Å
175	Y	94.1	Very high	92.3	Very high	49 Å²	49	61.5 Å²	61.5	19%	0.192	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.6	177.4	78.5	-73.9	0	0	0	112	V148 F167 V184 L185	V148-Y175 HydrophobicContact CB-CE2 4.4Å; V148-Y175 HydrophobicContact CG1-CE2 3.94Å; V148-Y175 HydrophobicContact CG2-CD2 4.25Å; V148-Y175 HydrophobicContact CG2-CE1 4.19Å; V148-Y175 HydrophobicContact CG2-CE2 3.59Å; F167-Y175 AromaticContact CE1-CD1 3.59Å; F167-Y175 HydrophobicContact CE1-CD1 3.59Å; F167-Y175 HydrophobicContact CE1-CE1 4.38Å; F167-Y175 AromaticContact CE1-CG 3.78Å; F167-Y175 HydrophobicContact CE1-CG 3.78Å; F167-Y175 AromaticContact CZ-CD1 3.78Å; F167-Y175 HydrophobicContact CZ-CD1 3.78Å; F167-Y175 HydrophobicContact CZ-CD2 4.32Å; F167-Y175 HydrophobicContact CZ-CE1 4.26Å; F167-Y175 AromaticContact CZ-CG 3.82Å; F167-Y175 HydrophobicContact CZ-CG 3.82Å; Y175-V184 HydrophobicContact CD2-CG1 4.44Å; Y175-L185 CarbonylContact C-O 3.58Å; Y175-L185 VanDerWaalsContact CA-O 3.22Å; Y175-L185 WeakPolarHBondContact CA-O 3.39Å
176	Q	94.8	Very high	92.5	Very high	76 Å²	76	55.8 Å²	55.8	36%	0.355	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	129.6	166.5	-161.7	-167.9	8.7	0	0	109.5	L185 W230	Q176-L185 PolarHBondContact N-O 2.95Å; Q176-L185 PolarHBondContact O-N 3.5Å; Q176-W230 PolarHBondContact O-NE1 3.11Å
177	L	94.6	Very high	92.7	Very high	20 Å²	20	55.4 Å²	55.4	11%	0.105	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	146.1	172.8	-83.6	157.8	0	0	0	111.2	L140 V148 I161 V162 M181 V184 L207 W230	L140-L177 HydrophobicContact CD1-CD1 3.63Å; L140-L177 HydrophobicContact CD2-CD1 3.74Å; L140-L177 HydrophobicContact CG-CD1 4.32Å; V148-L177 HydrophobicContact CG1-CD1 4.18Å; I161-L177 HydrophobicContact CG2-CD1 3.99Å; I161-L177 HydrophobicContact CG2-CD2 3.84Å; V162-L177 HydrophobicContact CG2-CD1 4.34Å; V162-L177 HydrophobicContact CG2-CD2 4.12Å; V162-L177 HydrophobicContact CG2-CG 4.41Å; L177-M181 HydrophobicContact CB-SD 4.15Å; L177-M181 HydrophobicContact CD1-CE 4.04Å; L177-M181 HydrophobicContact CD1-SD 4.1Å; L177-M181 HydrophobicContact CD2-SD 4.45Å; L177-M181 HydrophobicContact CG-SD 4.48Å; L177-V184 HydrophobicContact CD2-CG2 3.77Å; L177-L207 HydrophobicContact CD2-CD1 3.83Å; L177-W230 VanDerWaalsContact C-CD1 3.45Å
178	S	95.4	Very high	92.9	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.014	27%	0.271	C	S	.	.			trans	-69.7	152.3	170.7	58.8	0	0	0	0	111.2	D180 M181 K182 H183	S178-D180 WeakPolarHBondContact CB-OD1 3.08Å; S178-D180 PolarHBondContact O-N 2.85Å; S178-D180 PolarHBondContact OG-OD1 2.77Å; S178-M181 WeakPolarHBondContact O-CA 3.5Å; S178-M181 PolarHBondContact O-N 2.91Å; S178-K182 PolarHBondContact OG-N 2.98Å; S178-H183 PolarHBondContact N-O 3.38Å; S178-H183 PolarHBondContact OG-N 2.68Å; S178-H183 PolarHBondContact OG-O 3.01Å
179	P	93.4	Very high	93.2	Very high	57 Å²	57	53.6 Å²	53.6	37%	0.37	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.6	174.9	-25.9	31.5	0	0	0	114.1	M181 G231 G234	P179-M181 PolarHBondContact O-N 3.13Å; P179-G231 WeakPolarHBondContact CG-O 3.44Å; P179-G234 WeakPolarHBondContact CD-O 3.44Å
180	D	93.2	Very high	93.3	Very high	42 Å²	42	46.1 Å²	46.1	23%	0.225	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2	176.1	82	-21.3	0	0	0	114.4	S178 K182 H183 G234 Q235	S178-D180 WeakPolarHBondContact CB-OD1 3.08Å; S178-D180 PolarHBondContact O-N 2.85Å; S178-D180 PolarHBondContact OG-OD1 2.77Å; D180-K182 PolarHBondContact O-N 3.22Å; D180-K182 VanDerWaalsContact O-N 3.16Å; D180-K182 PolarHBondContact OD1-N 3.39Å; D180-K182 VanDerWaalsContact OD1-N 3.1Å; D180-K182 WeakPolarHBondContact OD2-CD 3.11Å; D180-H183 IonicContact OD1-ND1 3.06Å; D180-G234 PolarHBondContact N-O 2.8Å; D180-Q235 WeakPolarHBondContact OD2-CG 3.28Å; D180-Q235 PolarHBondContact OD2-NE2 3.29Å
181	M	92.3	Very high	93.5	Very high	42 Å²	42	50 Å²	50	21%	0.207	25%	0.248	C	C	.	.	S	Bend	trans	58.3	19.3	-179.7	-64.7	-73.4	-70.8	0	0	114.9	L134 L140 I161 L177 S178 P179	L134-M181 HydrophobicContact CD1-CE 3.71Å; L134-M181 HydrophobicContact CD1-SD 3.99Å; L134-M181 HydrophobicContact CD2-SD 4.32Å; L140-M181 HydrophobicContact CD1-CE 4.07Å; I161-M181 HydrophobicContact CD1-CE 4.28Å; I161-M181 HydrophobicContact CG1-CE 3.99Å; I161-M181 HydrophobicContact CG2-CE 3.9Å; L177-M181 HydrophobicContact CB-SD 4.15Å; L177-M181 HydrophobicContact CD1-CE 4.04Å; L177-M181 HydrophobicContact CD1-SD 4.1Å; L177-M181 HydrophobicContact CD2-SD 4.45Å; L177-M181 HydrophobicContact CG-SD 4.48Å; S178-M181 WeakPolarHBondContact O-CA 3.5Å; S178-M181 PolarHBondContact O-N 2.91Å; P179-M181 PolarHBondContact O-N 3.13Å
182	K	94.1	Very high	93.4	Very high	104 Å²	104	44.9 Å²	44.9	45%	0.452	23%	0.232	S	C	.	.	S	Bend	trans	-98.2	-15.8	178.6	-63	-178.9	-165.2	165.7	0	114	S178 D180 L207 V208	S178-K182 PolarHBondContact OG-N 2.98Å; D180-K182 PolarHBondContact O-N 3.22Å; D180-K182 VanDerWaalsContact O-N 3.16Å; D180-K182 PolarHBondContact OD1-N 3.39Å; D180-K182 VanDerWaalsContact OD1-N 3.1Å; D180-K182 WeakPolarHBondContact OD2-CD 3.11Å; K182-L207 WeakPolarHBondContact O-CB 3.43Å; K182-L207 PolarHBondContact O-N 3.49Å; K182-V208 HydrophobicContact CB-CG2 4.09Å; K182-V208 HydrophobicContact CD-CG2 4.29Å; K182-V208 HydrophobicContact CG-CG2 4.08Å
183	H	95.3	Very high	93.2	Very high	14 Å²	14	47 Å²	47	7%	0.065	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.5	-172.9	-60.2	92.6	0	0	0	112.3	S178 D180 I204 Y205 S206 W230 Q235 L251	S178-H183 PolarHBondContact N-O 3.38Å; S178-H183 PolarHBondContact OG-N 2.68Å; S178-H183 PolarHBondContact OG-O 3.01Å; D180-H183 IonicContact OD1-ND1 3.06Å; H183-I204 HydrophobicContact CB-CG2 4.31Å; H183-Y205 CarbonylContact C-O 3.51Å; H183-Y205 VanDerWaalsContact CA-O 3.29Å; H183-Y205 WeakPolarHBondContact CA-O 3.46Å; H183-S206 PolarHBondContact NE2-OG 2.79Å; H183-W230 HydrophobicContact CB-CH2 3.71Å; H183-W230 HydrophobicContact CB-CZ2 3.73Å; H183-Q235 PolarHBondContact CE1-NE2 3.01Å; H183-L251 VanDerWaalsContact CD2-CD1 3.44Å; H183-L251 WeakPolarHBondContact CD2-CD1 3.36Å
184	V	95.8	Very high	92.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.3	171.5	-168.7	0	0	0	0	108.5	V162 Y175 L177 F186 I204 Y205 L207	V162-V184 HydrophobicContact CG1-CG2 4.29Å; V162-V184 HydrophobicContact CG2-CG2 3.68Å; Y175-V184 HydrophobicContact CD2-CG1 4.44Å; L177-V184 HydrophobicContact CD2-CG2 3.77Å; V184-F186 HydrophobicContact CB-CD2 4.41Å; V184-F186 HydrophobicContact CB-CE2 3.97Å; V184-F186 HydrophobicContact CB-CZ 4.05Å; V184-F186 HydrophobicContact CG1-CD1 3.9Å; V184-F186 HydrophobicContact CG1-CD2 4.17Å; V184-F186 HydrophobicContact CG1-CE1 3.58Å; V184-F186 HydrophobicContact CG1-CE2 3.85Å; V184-F186 HydrophobicContact CG1-CG 4.2Å; V184-F186 HydrophobicContact CG1-CZ 3.55Å; V184-I204 CarbonylContact O-C 3.5Å; V184-I204 WeakPolarHBondContact O-CA 3.39Å; V184-Y205 PolarHBondContact N-O 3.16Å; V184-Y205 PolarHBondContact O-N 2.76Å; V184-L207 HydrophobicContact CG2-CD1 4.02Å; V184-L207 HydrophobicContact CG2-CD2 3.79Å; V184-L207 HydrophobicContact CG2-CG 3.97Å
185	L	96.7	Very high	92.4	Very high	6 Å²	6	43 Å²	43	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.5	166	178.7	68.3	0	0	0	107.8	Y175 Q176 Y202 I204 L215 A228 W230	Y175-L185 CarbonylContact C-O 3.58Å; Y175-L185 VanDerWaalsContact CA-O 3.22Å; Y175-L185 WeakPolarHBondContact CA-O 3.39Å; Q176-L185 PolarHBondContact N-O 2.95Å; Q176-L185 PolarHBondContact O-N 3.5Å; L185-Y202 HydrophobicContact CD1-CD1 3.86Å; L185-Y202 HydrophobicContact CD1-CG 4.44Å; L185-Y202 HydrophobicContact CD2-CD1 4.18Å; L185-Y202 HydrophobicContact CD2-CE1 4.38Å; L185-Y202 HydrophobicContact CG-CD1 3.93Å; L185-I204 HydrophobicContact CD1-CG1 3.79Å; L185-L215 HydrophobicContact CD1-CD2 3.98Å; L185-A228 HydrophobicContact CD2-CB 3.99Å; L185-W230 HydrophobicContact CB-CZ2 4.02Å
186	F	96.6	Very high	92.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.9	175.6	-71.4	-60.9	0	0	0	110.9	V162 L166 F167 A172 V184 Y202 I203 Y205	V162-F186 HydrophobicContact CG1-CE1 4.4Å; V162-F186 HydrophobicContact CG1-CZ 3.88Å; L166-F186 HydrophobicContact CD1-CE2 4.48Å; L166-F186 HydrophobicContact CD2-CE2 3.83Å; L166-F186 HydrophobicContact CD2-CZ 3.82Å; L166-F186 HydrophobicContact CG-CE2 3.79Å; L166-F186 HydrophobicContact CG-CZ 3.78Å; F167-F186 HydrophobicContact CD1-CD1 4.49Å; F167-F186 AromaticContact CD1-CE1 3.96Å; F167-F186 HydrophobicContact CD1-CE1 3.96Å; F167-F186 HydrophobicContact CE1-CD1 4.47Å; F167-F186 AromaticContact CE1-CE1 3.87Å; F167-F186 HydrophobicContact CE1-CE1 3.87Å; F167-F186 HydrophobicContact CE2-CE1 4.47Å; F167-F186 HydrophobicContact CG-CE1 4.32Å; F167-F186 HydrophobicContact CZ-CE1 4.13Å; A172-F186 HydrophobicContact CB-CB 3.78Å; A172-F186 HydrophobicContact CB-CD1 3.36Å; A172-F186 HydrophobicContact CB-CE1 4.1Å; A172-F186 HydrophobicContact CB-CG 3.76Å; V184-F186 HydrophobicContact CB-CD2 4.41Å; V184-F186 HydrophobicContact CB-CE2 3.97Å; V184-F186 HydrophobicContact CB-CZ 4.05Å; V184-F186 HydrophobicContact CG1-CD1 3.9Å; V184-F186 HydrophobicContact CG1-CD2 4.17Å; V184-F186 HydrophobicContact CG1-CE1 3.58Å; V184-F186 HydrophobicContact CG1-CE2 3.85Å; V184-F186 HydrophobicContact CG1-CG 4.2Å; V184-F186 HydrophobicContact CG1-CZ 3.55Å; F186-Y202 VanDerWaalsContact O-CA 3.29Å; F186-Y202 WeakPolarHBondContact O-CA 3.3Å; F186-I203 PolarHBondContact N-O 3.27Å; F186-I203 PolarHBondContact O-N 3.31Å; F186-Y205 HydrophobicContact CE2-CG 4.37Å
187	A	95.7	Very high	91.8	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.7	171.9	0	0	0	0	0	110.7	A173 R174 V190 A200 K201 Y202	A173-A187 PolarHBondContact N-O 2.9Å; R174-A187 HydrophobicContact CB-CB 4.2Å; R174-A187 PolarHBondContact N-O 3.01Å; R174-A187 PolarHBondContact O-N 3.29Å; A187-V190 HydrophobicContact CB-CG2 4.34Å; A187-A200 HydrophobicContact CB-CB 4.05Å; A187-K201 WeakPolarHBondContact CA-O 3.42Å; A187-Y202 HydrophobicContact CB-CD1 3.8Å; A187-Y202 HydrophobicContact CB-CE1 3.54Å
188	F	94.4	Very high	91.7	Very high	49 Å²	49	41.8 Å²	41.8	22%	0.215	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	167.7	-179.8	68.5	-78.1	0	0	0	110.4	K171 V190 K201 I203	K171-F188 VanDerWaalsContact O-CB 3.29Å; K171-F188 WeakPolarHBondContact O-CB 2.79Å; F188-V190 PolarHBondContact O-N 2.71Å; F188-K201 HydrophobicContact CD1-CB 4.12Å; F188-K201 WeakPolarHBondContact CD1-O 3.37Å; F188-K201 HydrophobicContact CD2-CB 4.18Å; F188-K201 HydrophobicContact CE1-CB 3.56Å; F188-K201 WeakPolarHBondContact CE1-O 3.4Å; F188-K201 HydrophobicContact CE2-CB 3.66Å; F188-K201 HydrophobicContact CE2-CD 4.02Å; F188-K201 HydrophobicContact CE2-CG 4.42Å; F188-K201 HydrophobicContact CG-CB 4.4Å; F188-K201 HydrophobicContact CZ-CB 3.33Å; F188-K201 HydrophobicContact CZ-CD 4.12Å; F188-K201 HydrophobicContact CZ-CG 4.34Å; F188-K201 PolarHBondContact N-O 3.06Å; F188-K201 PolarHBondContact O-N 2.72Å; F188-I203 HydrophobicContact CD1-CD1 4.16Å; F188-I203 HydrophobicContact CE1-CB 4.48Å; F188-I203 HydrophobicContact CE1-CD1 3.46Å; F188-I203 VanDerWaalsContact CE1-CD1 3.46Å; F188-I203 HydrophobicContact CE1-CG1 3.73Å; F188-I203 HydrophobicContact CZ-CD1 3.88Å; F188-I203 HydrophobicContact CZ-CG1 4.39Å
189	D	93.2	Very high	91.7	Very high	75 Å²	75	44.3 Å²	44.3	40%	0.401	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.4	44.7	-169.1	-168.8	31.4	0	0	0	112	K191	D189-K191 PolarHBondContact O-N 2.75Å; D189-K191 WeakPolarHBondContact OD1-CE 3.43Å; D189-K191 IonicContact OD1-NZ 3.91Å; D189-K191 PolarHBondContact OD1-NZ 2.95Å; D189-K191 VanDerWaalsContact OD1-NZ 3.08Å; D189-K191 IonicContact OD2-NZ 3.95Å; D189-K191 PolarHBondContact OD2-NZ 3.1Å
190	V	91.8	Very high	91.8	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.236	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	116.6	-176.3	174.9	0	0	0	0	110.2	A173 A187 F188 F198 L199 A200	A173-V190 HydrophobicContact CB-CB 4.42Å; A173-V190 HydrophobicContact CB-CG2 3.85Å; A187-V190 HydrophobicContact CB-CG2 4.34Å; F188-V190 PolarHBondContact O-N 2.71Å; V190-F198 HydrophobicContact CG1-CB 4.13Å; V190-F198 HydrophobicContact CG1-CD2 3.85Å; V190-F198 HydrophobicContact CG1-CG 4.2Å; V190-L199 CarbonylContact C-O 3.52Å; V190-L199 WeakPolarHBondContact CA-O 3.14Å; V190-A200 HydrophobicContact CG2-CB 3.96Å
191	K	90.4	Very high	92	Very high	101 Å²	101	41.6 Å²	41.6	44%	0.439	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	105.5	178.2	-69.9	163.7	-175.7	149.4	0	109	D189 F198 L199	D189-K191 PolarHBondContact O-N 2.75Å; D189-K191 WeakPolarHBondContact OD1-CE 3.43Å; D189-K191 IonicContact OD1-NZ 3.91Å; D189-K191 PolarHBondContact OD1-NZ 2.95Å; D189-K191 VanDerWaalsContact OD1-NZ 3.08Å; D189-K191 IonicContact OD2-NZ 3.95Å; D189-K191 PolarHBondContact OD2-NZ 3.1Å; K191-F198 CarbonylContact O-C 3.53Å; K191-F198 VanDerWaalsContact O-CA 3.23Å; K191-F198 WeakPolarHBondContact O-CA 3.18Å; K191-F198 WeakPolarHBondContact O-CB 3.49Å; K191-L199 HydrophobicContact CB-CB 4.42Å; K191-L199 PolarHBondContact N-O 3.4Å; K191-L199 PolarHBondContact O-N 3.46Å
192	P	87.3	Confident	92.2	Very high	67 Å²	67	40.1 Å²	40.1	44%	0.435	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	149.2	173.8	-22.8	34	0	0	0	111.8
193	I	85.9	Confident	92.2	Very high	59 Å²	59	36.9 Å²	36.9	30%	0.303	18%	0.181	S	C	.	.			trans	-110.2	-69.9	172.5	-52.5	170.2	0	0	0	108.4	S197 L199	I193-S197 PolarHBondContact N-O 3.11Å; I193-L199 HydrophobicContact CD1-CD2 3.85Å; I193-L199 HydrophobicContact CD1-CG 3.87Å; I193-L199 HydrophobicContact CG1-CG 4.17Å
194	Y	84.7	Confident	92.3	Very high	28 Å²	28	36.3 Å²	36.3	11%	0.11	18%	0.179	C	C	.	.	S	Bend	trans	-113.4	-147.2	175.4	-48.8	-45.3	0	0	0	110.6	S197 W274 E277 Y325 E771	Y194-S197 PolarHBondContact N-OG 3.16Å; Y194-W274 AromaticContact CD1-CD1 3.82Å; Y194-W274 HydrophobicContact CD2-CB 4.37Å; Y194-W274 AromaticContact CE1-CD1 3.83Å; Y194-W274 HydrophobicContact CE2-CB 3.83Å; Y194-W274 HydrophobicContact CE2-CG 4.4Å; Y194-W274 AromaticContact CG-CD1 3.93Å; Y194-W274 AromaticContact CZ-CD1 3.97Å; Y194-E277 WeakPolarHBondContact CD2-OE2 3.48Å; Y194-Y325 HydrophobicContact CE1-CD2 4.34Å; Y194-Y325 HydrophobicContact CE1-CE2 4.47Å; Y194-Y325 WeakPolarHBondContact OH-CD2 3.28Å; Y194-E771 HydrophobicContact CD1-CB 4.23Å; Y194-E771 HydrophobicContact CD1-CG 3.96Å
195	Q	81.1	Confident	92.2	Very high	69 Å²	69	37.4 Å²	37.4	32%	0.322	18%	0.183	S	C	.	.	S	Bend	trans	-65.2	-38.5	-177.4	179	170.2	-28.7	0	0	114.1	E277 E278 L804	Q195-E277 PolarHBondContact N-OE1 2.84Å; Q195-E278 WeakPolarHBondContact CB-OE1 3.45Å; Q195-E278 PolarHBondContact N-OE1 3.09Å; Q195-E278 VanDerWaalsContact N-OE1 3.09Å; Q195-E278 PolarHBondContact OE1-OE2 3.48Å; Q195-L804 HydrophobicContact CG-CD1 4.29Å; Q195-L804 HydrophobicContact CG-CD2 4.38Å
196	Y	87.2	Confident	92.1	Very high	86 Å²	86	37.3 Å²	37.3	34%	0.337	18%	0.183	S	C	.	.	S	Bend	trans	-119.1	-34	-175.3	-56.5	-79	0	0	0	113.2	E277 Q282 H284	Y196-E277 VanDerWaalsContact CA-OE1 3.3Å; Y196-E277 WeakPolarHBondContact CA-OE1 3.37Å; Y196-E277 WeakPolarHBondContact CB-OE1 3.47Å; Y196-E277 HydrophobicContact CD2-CG 3.85Å; Y196-E277 PolarHBondContact N-OE1 2.97Å; Y196-Q282 HydrophobicContact CE2-CB 4.48Å; Y196-Q282 VanDerWaalsContact CE2-O 3.26Å; Y196-Q282 WeakPolarHBondContact CE2-O 3.47Å; Y196-Q282 PolarHBondContact OH-O 3Å; Y196-H284 PolarHBondContact O-CE1 2.81Å; Y196-H284 PolarHBondContact O-ND1 2.83Å
197	S	89.6	Confident	92	Very high	14 Å²	14	39.4 Å²	39.4	10%	0.098	19%	0.194	C	C	.	.			trans	-71.5	148.8	-176	47	0	0	0	0	112.4	I193 Y194 E277	I193-S197 PolarHBondContact N-O 3.11Å; Y194-S197 PolarHBondContact N-OG 3.16Å; S197-E277 WeakPolarHBondContact CB-OE2 3.45Å; S197-E277 PolarHBondContact N-OE1 2.9Å; S197-E277 VanDerWaalsContact OG-CD 3.26Å; S197-E277 PolarHBondContact OG-OE1 2.83Å; S197-E277 VanDerWaalsContact OG-OE1 3.05Å; S197-E277 PolarHBondContact OG-OE2 2.81Å
198	F	92.7	Very high	91.8	Very high	20 Å²	20	44.2 Å²	44.2	9%	0.088	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	150.3	-180	63.4	-81.7	0	0	0	110.9	R174 V190 K191 A200 Y202 Q226 H284	R174-F198 VanDerWaalsContact NH1-CE2 3.32Å; R174-F198 VanDerWaalsContact NH1-CZ 3.32Å; V190-F198 HydrophobicContact CG1-CB 4.13Å; V190-F198 HydrophobicContact CG1-CD2 3.85Å; V190-F198 HydrophobicContact CG1-CG 4.2Å; K191-F198 CarbonylContact O-C 3.53Å; K191-F198 VanDerWaalsContact O-CA 3.23Å; K191-F198 WeakPolarHBondContact O-CA 3.18Å; K191-F198 WeakPolarHBondContact O-CB 3.49Å; F198-A200 HydrophobicContact CD2-CB 4.02Å; F198-A200 HydrophobicContact CE2-CB 4.06Å; F198-Y202 VanDerWaalsContact CE2-OH 3.26Å; F198-Y202 WeakPolarHBondContact CE2-OH 3.28Å; F198-Q226 VanDerWaalsContact O-O 3.1Å; F198-H284 AromaticContact CE1-CE1 3.76Å
199	L	94.6	Very high	91.7	Very high	56 Å²	56	45.5 Å²	45.5	29%	0.293	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	145.2	164.8	-60.3	-174.6	0	0	0	109.6	V190 K191 I193 V224 Q226	V190-L199 CarbonylContact C-O 3.52Å; V190-L199 WeakPolarHBondContact CA-O 3.14Å; K191-L199 HydrophobicContact CB-CB 4.42Å; K191-L199 PolarHBondContact N-O 3.4Å; K191-L199 PolarHBondContact O-N 3.46Å; I193-L199 HydrophobicContact CD1-CD2 3.85Å; I193-L199 HydrophobicContact CD1-CG 3.87Å; I193-L199 HydrophobicContact CG1-CG 4.17Å; L199-V224 HydrophobicContact CB-CG1 3.64Å; L199-V224 HydrophobicContact CD1-CG1 4.24Å; L199-V224 HydrophobicContact CG-CG1 4.38Å; L199-Q226 HydrophobicContact CD2-CB 4.26Å; L199-Q226 HydrophobicContact CD2-CG 3.73Å
200	A	96	Very high	91.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	157.9	171.9	0	0	0	0	0	112.3	A187 V190 F198 Y202 L225	A187-A200 HydrophobicContact CB-CB 4.05Å; V190-A200 HydrophobicContact CG2-CB 3.96Å; F198-A200 HydrophobicContact CD2-CB 4.02Å; F198-A200 HydrophobicContact CE2-CB 4.06Å; A200-Y202 HydrophobicContact CB-CD2 4.24Å; A200-Y202 HydrophobicContact CB-CE2 3.71Å; A200-Y202 WeakPolarHBondContact O-CD2 3.3Å; A200-L225 PolarHBondContact N-O 2.95Å; A200-L225 PolarHBondContact O-N 3.03Å
201	K	96.4	Very high	91.7	Very high	41 Å²	41	51.7 Å²	51.7	18%	0.178	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	146	161.2	-68.2	-172.7	172.7	-179.9	0	108.9	A187 F188 E222 V224	A187-K201 WeakPolarHBondContact CA-O 3.42Å; F188-K201 HydrophobicContact CD1-CB 4.12Å; F188-K201 WeakPolarHBondContact CD1-O 3.37Å; F188-K201 HydrophobicContact CD2-CB 4.18Å; F188-K201 HydrophobicContact CE1-CB 3.56Å; F188-K201 WeakPolarHBondContact CE1-O 3.4Å; F188-K201 HydrophobicContact CE2-CB 3.66Å; F188-K201 HydrophobicContact CE2-CD 4.02Å; F188-K201 HydrophobicContact CE2-CG 4.42Å; F188-K201 HydrophobicContact CG-CB 4.4Å; F188-K201 HydrophobicContact CZ-CB 3.33Å; F188-K201 HydrophobicContact CZ-CD 4.12Å; F188-K201 HydrophobicContact CZ-CG 4.34Å; F188-K201 PolarHBondContact N-O 3.06Å; F188-K201 PolarHBondContact O-N 2.72Å; K201-E222 WeakPolarHBondContact CE-O 3.38Å; K201-E222 IonicContact NZ-OE2 3.85Å; K201-E222 PolarHBondContact NZ-OE2 2.81Å; K201-V224 HydrophobicContact CG-CG2 4.09Å
202	Y	96.3	Very high	91.8	Very high	12 Å²	12	50.3 Å²	50.3	5%	0.047	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.6	-173.8	-71.7	-97.7	0	0	0	112.5	L185 F186 A187 F198 A200 L215 L225 A228	L185-Y202 HydrophobicContact CD1-CD1 3.86Å; L185-Y202 HydrophobicContact CD1-CG 4.44Å; L185-Y202 HydrophobicContact CD2-CD1 4.18Å; L185-Y202 HydrophobicContact CD2-CE1 4.38Å; L185-Y202 HydrophobicContact CG-CD1 3.93Å; F186-Y202 VanDerWaalsContact O-CA 3.29Å; F186-Y202 WeakPolarHBondContact O-CA 3.3Å; A187-Y202 HydrophobicContact CB-CD1 3.8Å; A187-Y202 HydrophobicContact CB-CE1 3.54Å; F198-Y202 VanDerWaalsContact CE2-OH 3.26Å; F198-Y202 WeakPolarHBondContact CE2-OH 3.28Å; A200-Y202 HydrophobicContact CB-CD2 4.24Å; A200-Y202 HydrophobicContact CB-CE2 3.71Å; A200-Y202 WeakPolarHBondContact O-CD2 3.3Å; Y202-L215 PolarHBondContact O-N 2.98Å; Y202-L225 HydrophobicContact CD2-CB 3.84Å; Y202-L225 HydrophobicContact CD2-CD1 3.77Å; Y202-L225 HydrophobicContact CD2-CG 4.11Å; Y202-L225 HydrophobicContact CE2-CB 3.85Å; Y202-L225 HydrophobicContact CE2-CD1 4.48Å; Y202-L225 HydrophobicContact CG-CD1 4.31Å; Y202-A228 HydrophobicContact CD1-CB 3.76Å; Y202-A228 HydrophobicContact CD2-CB 4.14Å; Y202-A228 HydrophobicContact CE1-CB 3.73Å; Y202-A228 HydrophobicContact CE2-CB 4.13Å; Y202-A228 HydrophobicContact CG-CB 3.94Å; Y202-A228 PolarHBondContact OH-N 2.82Å
203	I	95.4	Very high	92	Very high	36 Å²	36	52 Å²	52	19%	0.185	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.5	173.5	-76.3	159.3	0	0	0	108.7	F186 F188 W213	F186-I203 PolarHBondContact N-O 3.27Å; F186-I203 PolarHBondContact O-N 3.31Å; F188-I203 HydrophobicContact CD1-CD1 4.16Å; F188-I203 HydrophobicContact CE1-CB 4.48Å; F188-I203 HydrophobicContact CE1-CD1 3.46Å; F188-I203 VanDerWaalsContact CE1-CD1 3.46Å; F188-I203 HydrophobicContact CE1-CG1 3.73Å; F188-I203 HydrophobicContact CZ-CD1 3.88Å; F188-I203 HydrophobicContact CZ-CG1 4.39Å; I203-W213 WeakPolarHBondContact CA-O 3.03Å
204	I	95.6	Very high	92.4	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.7	170.1	-60.4	172.2	0	0	0	107.7	H183 V184 L185 S212 W213 L215 W230 L237 L251	H183-I204 HydrophobicContact CB-CG2 4.31Å; V184-I204 CarbonylContact O-C 3.5Å; V184-I204 WeakPolarHBondContact O-CA 3.39Å; L185-I204 HydrophobicContact CD1-CG1 3.79Å; I204-S212 CarbonylContact O-C 3.38Å; I204-S212 VanDerWaalsContact O-CA 3.32Å; I204-S212 WeakPolarHBondContact O-CA 3.09Å; I204-W213 HydrophobicContact CG2-CE3 4.34Å; I204-W213 PolarHBondContact N-O 2.71Å; I204-W213 PolarHBondContact O-N 3.38Å; I204-L215 HydrophobicContact CD1-CB 4.42Å; I204-L215 HydrophobicContact CD1-CD1 4.17Å; I204-L215 HydrophobicContact CG1-CB 4.48Å; I204-W230 HydrophobicContact CD1-CH2 4.46Å; I204-W230 HydrophobicContact CG2-CH2 3.99Å; I204-W230 HydrophobicContact CG2-CZ2 4.25Å; I204-L237 HydrophobicContact CD1-CD2 3.59Å; I204-L251 HydrophobicContact CD1-CD2 3.78Å; I204-L251 HydrophobicContact CG2-CD1 3.87Å; I204-L251 HydrophobicContact CG2-CD2 4.3Å
205	Y	95.4	Very high	92.8	Very high	22 Å²	22	52.2 Å²	52.2	9%	0.086	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.7	177.2	-177.7	-90.2	0	0	0	110.3	L166 H183 V184 F186 L207 Q210 E211	L166-Y205 HydrophobicContact CD1-CD1 4.49Å; L166-Y205 HydrophobicContact CD1-CD2 3.86Å; L166-Y205 HydrophobicContact CD1-CE1 4.23Å; L166-Y205 HydrophobicContact CD1-CE2 3.57Å; L166-Y205 HydrophobicContact CD1-CG 4.3Å; L166-Y205 HydrophobicContact CD2-CD1 3.55Å; L166-Y205 HydrophobicContact CD2-CD2 4.37Å; L166-Y205 HydrophobicContact CD2-CE1 3.44Å; L166-Y205 VanDerWaalsContact CD2-CE1 3.44Å; L166-Y205 HydrophobicContact CD2-CE2 4.3Å; L166-Y205 HydrophobicContact CD2-CG 4.01Å; L166-Y205 HydrophobicContact CG-CE1 4.5Å; H183-Y205 CarbonylContact C-O 3.51Å; H183-Y205 VanDerWaalsContact CA-O 3.29Å; H183-Y205 WeakPolarHBondContact CA-O 3.46Å; V184-Y205 PolarHBondContact N-O 3.16Å; V184-Y205 PolarHBondContact O-N 2.76Å; F186-Y205 HydrophobicContact CE2-CG 4.37Å; Y205-L207 HydrophobicContact CD1-CD2 4.05Å; Y205-L207 HydrophobicContact CE1-CD2 4.04Å; Y205-Q210 WeakPolarHBondContact CE2-O 3.45Å; Y205-Q210 WeakPolarHBondContact OH-CA 3.4Å; Y205-Q210 WeakPolarHBondContact OH-CB 3.29Å; Y205-E211 CarbonylContact C-O 3.59Å; Y205-E211 WeakPolarHBondContact CA-O 3.19Å
206	S	94.9	Very high	93.5	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.028	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.7	171.9	-169.9	0	0	0	0	111.3	H183 V208 T209 Q210 E211	H183-S206 PolarHBondContact NE2-OG 2.79Å; S206-V208 PolarHBondContact O-N 3.43Å; S206-V208 PolarHBondContact OG-N 2.93Å; S206-T209 WeakPolarHBondContact CB-OG1 3.47Å; S206-T209 PolarHBondContact OG-N 2.95Å; S206-Q210 VanDerWaalsContact O-CA 3.23Å; S206-Q210 WeakPolarHBondContact O-CA 3.2Å; S206-Q210 PolarHBondContact O-N 2.88Å; S206-E211 PolarHBondContact N-O 3.19Å
207	L	92.5	Very high	93.7	Very high	45 Å²	45	46.7 Å²	46.7	24%	0.236	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15	171.4	-61.1	174.8	0	0	0	112.2	I161 L177 K182 V184 Y205	I161-L207 HydrophobicContact CG2-CD1 3.71Å; I161-L207 WeakPolarHBondContact O-CD2 3.46Å; L177-L207 HydrophobicContact CD2-CD1 3.83Å; K182-L207 WeakPolarHBondContact O-CB 3.43Å; K182-L207 PolarHBondContact O-N 3.49Å; V184-L207 HydrophobicContact CG2-CD1 4.02Å; V184-L207 HydrophobicContact CG2-CD2 3.79Å; V184-L207 HydrophobicContact CG2-CG 3.97Å; Y205-L207 HydrophobicContact CD1-CD2 4.05Å; Y205-L207 HydrophobicContact CE1-CD2 4.04Å
208	V	92.8	Very high	93.8	Very high	104 Å²	104	49 Å²	49	63%	0.63	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-52.4	-179	-175.3	0	0	0	0	111.6	K182 S206	K182-V208 HydrophobicContact CB-CG2 4.09Å; K182-V208 HydrophobicContact CD-CG2 4.29Å; K182-V208 HydrophobicContact CG-CG2 4.08Å; S206-V208 PolarHBondContact O-N 3.43Å; S206-V208 PolarHBondContact OG-N 2.93Å
209	T	92.8	Very high	93.7	Very high	75 Å²	75	57.8 Å²	57.8	46%	0.46	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-12	-178.4	65.4	0	0	0	0	113.8	S206 E211	S206-T209 WeakPolarHBondContact CB-OG1 3.47Å; S206-T209 PolarHBondContact OG-N 2.95Å; T209-E211 WeakPolarHBondContact CB-OE2 3.49Å; T209-E211 PolarHBondContact O-N 2.94Å; T209-E211 WeakPolarHBondContact OG1-CB 3.19Å; T209-E211 PolarHBondContact OG1-OE2 2.78Å
210	Q	91.3	Very high	93.6	Very high	138 Å²	138	57.6 Å²	57.6	65%	0.645	30%	0.304	S	S	*	.			trans	62.1	19.1	-172.6	-53.1	-173.2	4.7	0	0	114.4	Y205 S206	Y205-Q210 WeakPolarHBondContact CE2-O 3.45Å; Y205-Q210 WeakPolarHBondContact OH-CA 3.4Å; Y205-Q210 WeakPolarHBondContact OH-CB 3.29Å; S206-Q210 VanDerWaalsContact O-CA 3.23Å; S206-Q210 WeakPolarHBondContact O-CA 3.2Å; S206-Q210 PolarHBondContact O-N 2.88Å
211	E	92.2	Very high	93.2	Very high	106 Å²	106	64.4 Å²	64.4	50%	0.495	34%	0.34	S	S	.	.			trans	-92.2	157.8	176.5	-63.5	173.7	134.4	0	0	112	Y205 S206 T209 W213	Y205-E211 CarbonylContact C-O 3.59Å; Y205-E211 WeakPolarHBondContact CA-O 3.19Å; S206-E211 PolarHBondContact N-O 3.19Å; T209-E211 WeakPolarHBondContact CB-OE2 3.49Å; T209-E211 PolarHBondContact O-N 2.94Å; T209-E211 WeakPolarHBondContact OG1-CB 3.19Å; T209-E211 PolarHBondContact OG1-OE2 2.78Å; E211-W213 HydrophobicContact CB-CH2 3.99Å; E211-W213 HydrophobicContact CB-CZ2 3.63Å; E211-W213 WeakPolarHBondContact OE2-CZ2 3.5Å
212	S	92.3	Very high	92.8	Very high	72 Å²	72	69.3 Å²	69.3	50%	0.503	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.5	-179	64	0	0	0	0	111.8	I204	I204-S212 CarbonylContact O-C 3.38Å; I204-S212 VanDerWaalsContact O-CA 3.32Å; I204-S212 WeakPolarHBondContact O-CA 3.09Å
213	W	92.1	Very high	92.7	Very high	102 Å²	102	69 Å²	69	39%	0.386	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.5	178.4	-49.6	-82.4	0	0	0	111	I203 I204 E211 L251	I203-W213 WeakPolarHBondContact CA-O 3.03Å; I204-W213 HydrophobicContact CG2-CE3 4.34Å; I204-W213 PolarHBondContact N-O 2.71Å; I204-W213 PolarHBondContact O-N 3.38Å; E211-W213 HydrophobicContact CB-CH2 3.99Å; E211-W213 HydrophobicContact CB-CZ2 3.63Å; E211-W213 WeakPolarHBondContact OE2-CZ2 3.5Å; W213-L251 HydrophobicContact CZ3-CD1 4.42Å
214	P	93.8	Very high	92.7	Very high	89 Å²	89	69.8 Å²	69.8	58%	0.578	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	138	172.1	30	-34.2	0	0	0	110.1	N216	P214-N216 PolarHBondContact O-N 3.42Å
215	L	94.8	Very high	92.7	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.016	37%	0.37	C	S	.	.			trans	-89.7	104.9	173.2	179.4	59.8	0	0	0	108.9	L185 Y202 I204 L225 A228 L237 F239	L185-L215 HydrophobicContact CD1-CD2 3.98Å; Y202-L215 PolarHBondContact O-N 2.98Å; I204-L215 HydrophobicContact CD1-CB 4.42Å; I204-L215 HydrophobicContact CD1-CD1 4.17Å; I204-L215 HydrophobicContact CG1-CB 4.48Å; L215-L225 HydrophobicContact CD2-CD1 4.1Å; L215-L225 HydrophobicContact CG-CD1 4Å; L215-A228 HydrophobicContact CD2-CB 3.62Å; L215-L237 HydrophobicContact CD1-CD1 4.13Å; L215-L237 HydrophobicContact CD2-CD1 4.34Å; L215-F239 HydrophobicContact CD1-CD1 3.83Å; L215-F239 HydrophobicContact CD1-CE1 3.91Å; L215-F239 HydrophobicContact CD2-CB 4.22Å; L215-F239 HydrophobicContact CD2-CD1 4.27Å; L215-F239 HydrophobicContact CD2-CG 4.42Å; L215-F239 HydrophobicContact CG-CD1 4.22Å; L215-F239 HydrophobicContact CG-CG 4.46Å
216	N	94.6	Very high	92.8	Very high	33 Å²	33	69.9 Å²	69.9	18%	0.176	37%	0.371	C	S	.	.			trans	-121.1	155.2	177.6	-65.2	-50.2	0	0	0	111.5	P214 V220 E222 A223	P214-N216 PolarHBondContact O-N 3.42Å; N216-V220 VanDerWaalsContact CB-O 3.28Å; N216-V220 WeakPolarHBondContact CB-O 3.36Å; N216-E222 PolarHBondContact OD1-N 2.03Å; N216-A223 PolarHBondContact OD1-N 2.81Å
217	P	92.7	Very high	92.9	Very high	6 Å²	6	71 Å²	71	4%	0.039	38%	0.375	C	S	.	.			trans	-58.6	159.1	159.8	-13.2	26.2	0	0	0	111.3	E219 V220 A223 L225 F239 F241	P217-E219 PolarHBondContact O-N 2.92Å; P217-V220 HydrophobicContact CB-CB 4.21Å; P217-V220 HydrophobicContact CB-CG2 4.16Å; P217-V220 HydrophobicContact CG-CB 4.12Å; P217-V220 HydrophobicContact CG-CG2 4.31Å; P217-V220 PolarHBondContact O-N 2.93Å; P217-A223 HydrophobicContact CG-CB 3.93Å; P217-L225 HydrophobicContact CG-CD2 4.31Å; P217-F239 HydrophobicContact CB-CE2 4.15Å; P217-F239 HydrophobicContact CG-CE2 4.11Å; P217-F241 HydrophobicContact CB-CD1 4.21Å; P217-F241 HydrophobicContact CG-CB 4.08Å; P217-F241 HydrophobicContact CG-CD1 3.61Å; P217-F241 HydrophobicContact CG-CD2 3.99Å; P217-F241 HydrophobicContact CG-CE1 4.01Å; P217-F241 HydrophobicContact CG-CE2 4.36Å; P217-F241 HydrophobicContact CG-CG 3.6Å; P217-F241 HydrophobicContact CG-CZ 4.37Å
218	P	91.1	Very high	93.1	Very high	63 Å²	63	69.2 Å²	69.2	41%	0.409	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	141.3	165	-22.1	33.8	0	0	0	111	V220	P218-V220 PolarHBondContact O-N 3.16Å
219	E	90.2	Very high	93.3	Very high	205 Å²	205	64.2 Å²	64.2	96%	0.958	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	-4.7	175.2	-58.5	168.9	-151.8	0	0	116.5	P217	P217-E219 PolarHBondContact O-N 2.92Å
220	V	92	Very high	93.5	Very high	52 Å²	52	61.2 Å²	61.2	32%	0.315	32%	0.317	S	S	.	.			trans	-106.8	138.9	177.8	-175.4	0	0	0	0	110.5	N216 P217 P218 A223 F241	N216-V220 VanDerWaalsContact CB-O 3.28Å; N216-V220 WeakPolarHBondContact CB-O 3.36Å; P217-V220 HydrophobicContact CB-CB 4.21Å; P217-V220 HydrophobicContact CB-CG2 4.16Å; P217-V220 HydrophobicContact CG-CB 4.12Å; P217-V220 HydrophobicContact CG-CG2 4.31Å; P217-V220 PolarHBondContact O-N 2.93Å; P218-V220 PolarHBondContact O-N 3.16Å; V220-A223 HydrophobicContact CG1-CB 3.87Å; V220-F241 HydrophobicContact CG1-CZ 4.46Å; V220-F241 HydrophobicContact CG2-CE1 4.35Å; V220-F241 HydrophobicContact CG2-CZ 4.46Å
221	N	88.9	Confident	93.7	Very high	143 Å²	143	54.9 Å²	54.9	77%	0.765	29%	0.289	S	S	*	.	S	Bend	trans	-111.8	147.5	172	-71.2	-43.5	0	0	0	110.5	A223	N221-A223 VanDerWaalsContact C-N 3.27Å; N221-A223 PolarHBondContact O-N 2.98Å
222	E	88.2	Confident	93.8	Very high	143 Å²	143	52.2 Å²	52.2	67%	0.668	28%	0.281	S	S	*	.	S	Bend	trans	52.8	38	-178.5	-66.8	-157.6	-150.3	0	0	115.2	K201 N216 V224	K201-E222 WeakPolarHBondContact CE-O 3.38Å; K201-E222 IonicContact NZ-OE2 3.85Å; K201-E222 PolarHBondContact NZ-OE2 2.81Å; N216-E222 PolarHBondContact OD1-N 2.03Å; E222-V224 PolarHBondContact O-N 3.36Å
223	A	92.4	Very high	93.8	Very high	6 Å²	6	53.4 Å²	53.4	5%	0.05	28%	0.278	C	S	.	.			trans	-62.7	138.1	-176.8	0	0	0	0	0	112.4	N216 P217 V220 N221 L225 F241	N216-A223 PolarHBondContact OD1-N 2.81Å; P217-A223 HydrophobicContact CG-CB 3.93Å; V220-A223 HydrophobicContact CG1-CB 3.87Å; N221-A223 VanDerWaalsContact C-N 3.27Å; N221-A223 PolarHBondContact O-N 2.98Å; A223-L225 HydrophobicContact CB-CD2 3.95Å; A223-F241 HydrophobicContact CB-CD2 4.47Å; A223-F241 HydrophobicContact CB-CE2 4.29Å
224	V	95.6	Very high	93.8	Very high	53 Å²	53	50.2 Å²	50.2	32%	0.321	28%	0.277	S	S	.	.			trans	-92.8	121.8	166.1	178.7	0	0	0	0	107.1	L199 K201 E222 F241	L199-V224 HydrophobicContact CB-CG1 3.64Å; L199-V224 HydrophobicContact CD1-CG1 4.24Å; L199-V224 HydrophobicContact CG-CG1 4.38Å; K201-V224 HydrophobicContact CG-CG2 4.09Å; E222-V224 PolarHBondContact O-N 3.36Å; V224-F241 WeakPolarHBondContact O-CD2 3.45Å
225	L	96.8	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-104.9	143.7	-174.5	-51.9	178.9	0	0	0	110.2	A200 Y202 L215 P217 A223 Y227 A228 F239 F241	A200-L225 PolarHBondContact N-O 2.95Å; A200-L225 PolarHBondContact O-N 3.03Å; Y202-L225 HydrophobicContact CD2-CB 3.84Å; Y202-L225 HydrophobicContact CD2-CD1 3.77Å; Y202-L225 HydrophobicContact CD2-CG 4.11Å; Y202-L225 HydrophobicContact CE2-CB 3.85Å; Y202-L225 HydrophobicContact CE2-CD1 4.48Å; Y202-L225 HydrophobicContact CG-CD1 4.31Å; L215-L225 HydrophobicContact CD2-CD1 4.1Å; L215-L225 HydrophobicContact CG-CD1 4Å; P217-L225 HydrophobicContact CG-CD2 4.31Å; A223-L225 HydrophobicContact CB-CD2 3.95Å; L225-Y227 VanDerWaalsContact C-N 3.34Å; L225-A228 HydrophobicContact CD1-CB 4.29Å; L225-F239 HydrophobicContact CD1-CB 3.99Å; L225-F239 HydrophobicContact CD1-CD2 4.19Å; L225-F239 HydrophobicContact CD1-CG 4.27Å; L225-F239 HydrophobicContact CD2-CD2 4Å; L225-F241 HydrophobicContact CD2-CB 4.03Å; L225-F241 HydrophobicContact CD2-CD2 3.99Å; L225-F241 HydrophobicContact CD2-CG 4.36Å
226	Q	96.1	Very high	93.8	Very high	26 Å²	26	48.6 Å²	48.6	12%	0.121	26%	0.262	C	S	.	.	S	Bend	trans	-76.7	-26.3	175.1	-62.9	160.9	-69.9	0	0	111.7	F198 L199 I240 S243 L271	F198-Q226 VanDerWaalsContact O-O 3.1Å; L199-Q226 HydrophobicContact CD2-CB 4.26Å; L199-Q226 HydrophobicContact CD2-CG 3.73Å; Q226-I240 PolarHBondContact N-O 3.1Å; Q226-S243 PolarHBondContact NE2-OG 3.01Å; Q226-L271 HydrophobicContact CB-CD1 3.49Å; Q226-L271 VanDerWaalsContact CB-CD1 3.49Å; Q226-L271 HydrophobicContact CG-CD1 4.45Å
227	Y	97.1	Very high	93.9	Very high	27 Å²	27	47.1 Å²	47.1	11%	0.106	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	147.3	175	176.7	-95.8	0	0	0	109.9	L225 I238 F239 I240 L271 H284 I285 H287	L225-Y227 VanDerWaalsContact C-N 3.34Å; Y227-I238 HydrophobicContact CE1-CD1 4.41Å; Y227-I238 HydrophobicContact CE1-CG1 4.12Å; Y227-F239 CarbonylContact O-C 3.59Å; Y227-F239 WeakPolarHBondContact O-CA 3.33Å; Y227-F239 WeakPolarHBondContact O-CB 3.4Å; Y227-I240 HydrophobicContact CD1-CD1 4.29Å; Y227-I240 HydrophobicContact CD1-CG1 4.38Å; Y227-I240 PolarHBondContact O-N 3.49Å; Y227-L271 HydrophobicContact CG-CD2 4.42Å; Y227-H284 AromaticContact CD2-NE2 3.76Å; Y227-I285 HydrophobicContact CE2-CD1 3.86Å; Y227-I285 HydrophobicContact CE2-CG1 4.08Å; Y227-H287 AromaticContact CD1-CE1 3.61Å; Y227-H287 AromaticContact CE1-CE1 3.25Å; Y227-H287 WeakPolarHBondContact CE1-CE1 3.37Å; Y227-H287 AromaticContact CE1-NE2 3.3Å; Y227-H287 VanDerWaalsContact CE1-NE2 3.3Å; Y227-H287 WeakPolarHBondContact CE1-NE2 3.31Å; Y227-H287 AromaticContact CZ-CE1 3.53Å; Y227-H287 AromaticContact CZ-NE2 3.46Å; Y227-H287 PolarHBondContact OH-NE2 2.85Å
228	A	97.1	Very high	94.1	Very high	7 Å²	7	46.8 Å²	46.8	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	142.7	157.7	0	0	0	0	0	109.5	L185 Y202 L215 L225 I238 F239	L185-A228 HydrophobicContact CD2-CB 3.99Å; Y202-A228 HydrophobicContact CD1-CB 3.76Å; Y202-A228 HydrophobicContact CD2-CB 4.14Å; Y202-A228 HydrophobicContact CE1-CB 3.73Å; Y202-A228 HydrophobicContact CE2-CB 4.13Å; Y202-A228 HydrophobicContact CG-CB 3.94Å; Y202-A228 PolarHBondContact OH-N 2.82Å; L215-A228 HydrophobicContact CD2-CB 3.62Å; L225-A228 HydrophobicContact CD1-CB 4.29Å; A228-I238 WeakPolarHBondContact CA-O 3.48Å; A228-F239 HydrophobicContact CB-CB 3.77Å
229	G	96.7	Very high	94.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	153.3	178.8	0	0	0	0	0	113.5	L237 I238	G229-L237 WeakPolarHBondContact O-CA 3.45Å; G229-I238 PolarHBondContact N-O 2.92Å; G229-I238 PolarHBondContact O-N 3.49Å
230	W	97.2	Very high	94.8	Very high	11 Å²	11	34 Å²	34	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	147	175.2	-56.5	106.9	0	0	0	111.5	Q176 L177 H183 L185 I204 Q235 L237 L251	Q176-W230 PolarHBondContact O-NE1 3.11Å; L177-W230 VanDerWaalsContact C-CD1 3.45Å; H183-W230 HydrophobicContact CB-CH2 3.71Å; H183-W230 HydrophobicContact CB-CZ2 3.73Å; L185-W230 HydrophobicContact CB-CZ2 4.02Å; I204-W230 HydrophobicContact CD1-CH2 4.46Å; I204-W230 HydrophobicContact CG2-CH2 3.99Å; I204-W230 HydrophobicContact CG2-CZ2 4.25Å; W230-Q235 HydrophobicContact CZ3-CB 4.43Å; W230-Q235 WeakPolarHBondContact CZ3-O 3.34Å; W230-L237 HydrophobicContact CE3-CB 3.84Å; W230-L237 HydrophobicContact CE3-CD2 4.17Å; W230-L237 HydrophobicContact CH2-CD2 4.13Å; W230-L237 HydrophobicContact CZ3-CB 4.21Å; W230-L237 HydrophobicContact CZ3-CD2 3.67Å; W230-L251 HydrophobicContact CH2-CD2 4.34Å; W230-L251 HydrophobicContact CZ3-CD2 4.43Å
231	G	95.8	Very high	95	Very high	6 Å²	6	33 Å²	33	6%	0.062	18%	0.178	C	C	.	.			trans	-80.8	-177.7	162.3	0	0	0	0	0	112	P179 Q236	P179-G231 WeakPolarHBondContact CG-O 3.44Å; G231-Q236 PolarHBondContact N-O 3.11Å
232	P	94.3	Very high	95.3	Very high	49 Å²	49	31.4 Å²	31.4	32%	0.318	17%	0.166	S	C	.	.	S	Bend	trans	-80.4	-12.5	-172.2	29.4	-35.7	0	0	0	115.4	W289 S290	P232-W289 HydrophobicContact CG-CB 3.92Å; P232-W289 HydrophobicContact CG-CG 4.47Å; P232-S290 WeakPolarHBondContact CG-O 3.14Å
233	Q	92.6	Very high	95.7	Very high	97 Å²	97	24.7 Å²	24.7	45%	0.453	14%	0.135	S	C	.	.	S	Bend	trans	-124.4	138.6	-175	-64.7	-62.6	-23	0	0	112.7	Q235 Q236 P291 D292	Q233-Q235 PolarHBondContact O-N 3.12Å; Q233-Q236 VanDerWaalsContact O-CG 3.3Å; Q233-Q236 WeakPolarHBondContact O-CG 3.33Å; Q233-Q236 PolarHBondContact O-N 3.06Å; Q233-P291 PolarHBondContact NE2-O 3.15Å; Q233-D292 WeakPolarHBondContact CG-O 3.45Å
234	G	91.6	Very high	96	Very high	36 Å²	36	24.8 Å²	24.8	37%	0.371	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	-116.3	172.3	0	0	0	0	0	114.3	P179 D180	P179-G234 WeakPolarHBondContact CD-O 3.44Å; D180-G234 PolarHBondContact N-O 2.8Å
235	Q	93.9	Very high	96.1	Very high	41 Å²	41	22.2 Å²	22.2	19%	0.192	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	18.5	-177.8	-61.6	174.7	8.3	0	0	112	D180 H183 W230 Q233	D180-Q235 WeakPolarHBondContact OD2-CG 3.28Å; D180-Q235 PolarHBondContact OD2-NE2 3.29Å; H183-Q235 PolarHBondContact CE1-NE2 3.01Å; W230-Q235 HydrophobicContact CZ3-CB 4.43Å; W230-Q235 WeakPolarHBondContact CZ3-O 3.34Å; Q233-Q235 PolarHBondContact O-N 3.12Å
236	Q	95.1	Very high	96.1	Very high	16 Å²	16	23.1 Å²	23.1	8%	0.075	12%	0.123	C	C	.	.			trans	-72.2	139.5	-177.9	80.8	-168.6	35.7	0	0	109.9	G231 Q233 Y247 R248 A249 W289 G293	G231-Q236 PolarHBondContact N-O 3.11Å; Q233-Q236 VanDerWaalsContact O-CG 3.3Å; Q233-Q236 WeakPolarHBondContact O-CG 3.33Å; Q233-Q236 PolarHBondContact O-N 3.06Å; Q236-Y247 HydrophobicContact CB-CE2 4Å; Q236-Y247 HydrophobicContact CG-CE2 4.5Å; Q236-R248 WeakPolarHBondContact CA-O 3.43Å; Q236-A249 VanDerWaalsContact CA-O 3.25Å; Q236-A249 WeakPolarHBondContact CA-O 2.91Å; Q236-A249 WeakPolarHBondContact CB-O 3.03Å; Q236-A249 PolarHBondContact N-O 3.4Å; Q236-W289 HydrophobicContact CG-CH2 3.92Å; Q236-W289 HydrophobicContact CG-CZ3 3.93Å; Q236-W289 VanDerWaalsContact NE2-CE3 3.27Å; Q236-G293 PolarHBondContact NE2-O 3.29Å
237	L	96.6	Very high	96.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.7	-179.1	67.7	87.4	0	0	0	111.3	I204 L215 G229 W230 F239 Y247 R248 L251	I204-L237 HydrophobicContact CD1-CD2 3.59Å; L215-L237 HydrophobicContact CD1-CD1 4.13Å; L215-L237 HydrophobicContact CD2-CD1 4.34Å; G229-L237 WeakPolarHBondContact O-CA 3.45Å; W230-L237 HydrophobicContact CE3-CB 3.84Å; W230-L237 HydrophobicContact CE3-CD2 4.17Å; W230-L237 HydrophobicContact CH2-CD2 4.13Å; W230-L237 HydrophobicContact CZ3-CB 4.21Å; W230-L237 HydrophobicContact CZ3-CD2 3.67Å; L237-F239 HydrophobicContact CD1-CD1 3.84Å; L237-F239 HydrophobicContact CD1-CE1 4.43Å; L237-Y247 WeakPolarHBondContact O-CD2 2.97Å; L237-R248 HydrophobicContact CD1-CB 3.95Å; L237-R248 HydrophobicContact CG-CB 4.03Å; L237-R248 PolarHBondContact N-O 3.13Å; L237-R248 PolarHBondContact O-N 2.72Å; L237-L251 HydrophobicContact CD2-CD2 3.97Å
238	I	97.5	Very high	95.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	155.6	164.2	59.1	-176.1	0	0	0	110.6	Y227 A228 G229 I245 Y246 Y247 H287 W289 L296	Y227-I238 HydrophobicContact CE1-CD1 4.41Å; Y227-I238 HydrophobicContact CE1-CG1 4.12Å; A228-I238 WeakPolarHBondContact CA-O 3.48Å; G229-I238 PolarHBondContact N-O 2.92Å; G229-I238 PolarHBondContact O-N 3.49Å; I238-I245 HydrophobicContact CB-CG2 4.36Å; I238-I245 HydrophobicContact CG2-CG2 4.3Å; I238-Y246 CarbonylContact C-O 3.54Å; I238-Y246 WeakPolarHBondContact CA-O 3.19Å; I238-Y246 VanDerWaalsContact CB-O 3.28Å; I238-Y246 WeakPolarHBondContact CB-O 3.38Å; I238-Y246 WeakPolarHBondContact CG2-O 3.4Å; I238-Y247 HydrophobicContact CG2-CD2 3.84Å; I238-Y247 HydrophobicContact CG2-CG 4.42Å; I238-H287 VanDerWaalsContact CD1-CD2 3.49Å; I238-H287 WeakPolarHBondContact CD1-CD2 3.43Å; I238-W289 HydrophobicContact CB-CZ2 4.17Å; I238-W289 HydrophobicContact CD1-CZ2 3.94Å; I238-W289 HydrophobicContact CG1-CZ2 3.79Å; I238-W289 HydrophobicContact CG2-CH2 3.75Å; I238-W289 HydrophobicContact CG2-CZ2 3.63Å; I238-L296 HydrophobicContact CD1-CD1 4.14Å; I238-L296 HydrophobicContact CD1-CD2 4.03Å; I238-L296 HydrophobicContact CG2-CD2 4.18Å
239	F	97.5	Very high	95.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156	165.5	60.5	-85.6	0	0	0	110.4	L215 P217 L225 Y227 A228 L237 Y246 S255	L215-F239 HydrophobicContact CD1-CD1 3.83Å; L215-F239 HydrophobicContact CD1-CE1 3.91Å; L215-F239 HydrophobicContact CD2-CB 4.22Å; L215-F239 HydrophobicContact CD2-CD1 4.27Å; L215-F239 HydrophobicContact CD2-CG 4.42Å; L215-F239 HydrophobicContact CG-CD1 4.22Å; L215-F239 HydrophobicContact CG-CG 4.46Å; P217-F239 HydrophobicContact CB-CE2 4.15Å; P217-F239 HydrophobicContact CG-CE2 4.11Å; L225-F239 HydrophobicContact CD1-CB 3.99Å; L225-F239 HydrophobicContact CD1-CD2 4.19Å; L225-F239 HydrophobicContact CD1-CG 4.27Å; L225-F239 HydrophobicContact CD2-CD2 4Å; Y227-F239 CarbonylContact O-C 3.59Å; Y227-F239 WeakPolarHBondContact O-CA 3.33Å; Y227-F239 WeakPolarHBondContact O-CB 3.4Å; A228-F239 HydrophobicContact CB-CB 3.77Å; L237-F239 HydrophobicContact CD1-CD1 3.84Å; L237-F239 HydrophobicContact CD1-CE1 4.43Å; F239-Y246 HydrophobicContact CD2-CD2 4.13Å; F239-Y246 HydrophobicContact CD2-CG 4.21Å; F239-Y246 VanDerWaalsContact CE2-CB 3.48Å; F239-Y246 HydrophobicContact CE2-CD1 4.27Å; F239-Y246 AromaticContact CE2-CD2 3.8Å; F239-Y246 HydrophobicContact CE2-CD2 3.8Å; F239-Y246 AromaticContact CE2-CG 3.59Å; F239-Y246 HydrophobicContact CE2-CG 3.59Å; F239-Y246 HydrophobicContact CZ-CD1 4.26Å; F239-Y246 HydrophobicContact CZ-CD2 4.47Å; F239-Y246 AromaticContact CZ-CG 3.81Å; F239-Y246 HydrophobicContact CZ-CG 3.81Å; F239-Y246 PolarHBondContact N-O 3.45Å; F239-Y246 PolarHBondContact O-N 2.86Å; F239-S255 WeakPolarHBondContact CE1-OG 3.13Å
240	I	97.8	Very high	95.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.9	-174.6	-55.1	178.9	0	0	0	108.4	Q226 Y227 N244 I245 L271	Q226-I240 PolarHBondContact N-O 3.1Å; Y227-I240 HydrophobicContact CD1-CD1 4.29Å; Y227-I240 HydrophobicContact CD1-CG1 4.38Å; Y227-I240 PolarHBondContact O-N 3.49Å; I240-N244 WeakPolarHBondContact CA-O 3.44Å; I240-I245 HydrophobicContact CD1-CG1 4.3Å; I240-I245 HydrophobicContact CG1-CG1 4.32Å; I240-L271 HydrophobicContact CB-CD1 4.13Å; I240-L271 HydrophobicContact CD1-CD1 4.23Å; I240-L271 HydrophobicContact CD1-CD2 3.95Å; I240-L271 HydrophobicContact CD1-CG 3.68Å; I240-L271 HydrophobicContact CG2-CD1 3.75Å; I240-L271 HydrophobicContact CG2-CG 4.19Å
241	F	96.8	Very high	95	Very high	30 Å²	30	28 Å²	28	13%	0.132	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.9	-175.7	176.8	-102.6	0	0	0	108.5	P217 V220 A223 V224 L225 S243 N244 Y246	P217-F241 HydrophobicContact CB-CD1 4.21Å; P217-F241 HydrophobicContact CG-CB 4.08Å; P217-F241 HydrophobicContact CG-CD1 3.61Å; P217-F241 HydrophobicContact CG-CD2 3.99Å; P217-F241 HydrophobicContact CG-CE1 4.01Å; P217-F241 HydrophobicContact CG-CE2 4.36Å; P217-F241 HydrophobicContact CG-CG 3.6Å; P217-F241 HydrophobicContact CG-CZ 4.37Å; V220-F241 HydrophobicContact CG1-CZ 4.46Å; V220-F241 HydrophobicContact CG2-CE1 4.35Å; V220-F241 HydrophobicContact CG2-CZ 4.46Å; A223-F241 HydrophobicContact CB-CD2 4.47Å; A223-F241 HydrophobicContact CB-CE2 4.29Å; V224-F241 WeakPolarHBondContact O-CD2 3.45Å; L225-F241 HydrophobicContact CD2-CB 4.03Å; L225-F241 HydrophobicContact CD2-CD2 3.99Å; L225-F241 HydrophobicContact CD2-CG 4.36Å; F241-S243 PolarHBondContact O-N 2.79Å; F241-N244 PolarHBondContact N-O 3.47Å; F241-N244 VanDerWaalsContact N-O 3.14Å; F241-N244 WeakPolarHBondContact O-CB 3.23Å; F241-N244 PolarHBondContact O-N 3.1Å; F241-Y246 HydrophobicContact CB-CD2 4.27Å; F241-Y246 HydrophobicContact CB-CE2 3.92Å; F241-Y246 HydrophobicContact CD1-CE2 4.35Å
242	E	95.5	Very high	94.6	Very high	110 Å²	110	35.1 Å²	35.1	51%	0.514	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	39.2	-173.7	-61.8	174.4	161.5	0	0	112.7	N244	E242-N244 PolarHBondContact O-N 3.26Å; E242-N244 VanDerWaalsContact O-N 3.13Å; E242-N244 PolarHBondContact O-ND2 3.28Å
243	S	96.4	Very high	94.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	22.6	-175.7	-63.8	0	0	0	0	115	Q226 F241 G262 I267 N269	Q226-S243 PolarHBondContact NE2-OG 3.01Å; F241-S243 PolarHBondContact O-N 2.79Å; S243-G262 WeakPolarHBondContact O-CA 3.15Å; S243-I267 WeakPolarHBondContact CB-O 3Å; S243-N269 WeakPolarHBondContact O-CB 3.2Å; S243-N269 PolarHBondContact O-N 3.11Å; S243-N269 PolarHBondContact O-ND2 2.79Å
244	N	97.3	Very high	94.1	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.043	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.4	175	-69.4	-67	0	0	0	110.6	I240 F241 E242 Y246 V259 S260 T261 G262	I240-N244 WeakPolarHBondContact CA-O 3.44Å; F241-N244 PolarHBondContact N-O 3.47Å; F241-N244 VanDerWaalsContact N-O 3.14Å; F241-N244 WeakPolarHBondContact O-CB 3.23Å; F241-N244 PolarHBondContact O-N 3.1Å; E242-N244 PolarHBondContact O-N 3.26Å; E242-N244 VanDerWaalsContact O-N 3.13Å; E242-N244 PolarHBondContact O-ND2 3.28Å; N244-Y246 HydrophobicContact CB-CE2 3.96Å; N244-Y246 WeakPolarHBondContact O-CD2 3.33Å; N244-V259 WeakPolarHBondContact CB-O 3.05Å; N244-V259 PolarHBondContact OD1-O 3.23Å; N244-V259 VanDerWaalsContact OD1-O 3.05Å; N244-S260 VanDerWaalsContact OD1-C 3.23Å; N244-S260 WeakPolarHBondContact OD1-CA 3.4Å; N244-T261 PolarHBondContact OD1-N 3.49Å; N244-G262 VanDerWaalsContact OD1-CA 3.32Å; N244-G262 WeakPolarHBondContact OD1-CA 3.28Å; N244-G262 PolarHBondContact OD1-N 2.85Å
245	I	97.8	Very high	94.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.3	-179.1	-50.2	176.5	0	0	0	109.6	I238 I240 L258 V259 N269 L296 Y298	I238-I245 HydrophobicContact CB-CG2 4.36Å; I238-I245 HydrophobicContact CG2-CG2 4.3Å; I240-I245 HydrophobicContact CD1-CG1 4.3Å; I240-I245 HydrophobicContact CG1-CG1 4.32Å; I245-L258 HydrophobicContact CB-CB 4.49Å; I245-L258 HydrophobicContact CG2-CD1 4.07Å; I245-L258 PolarHBondContact O-N 3.28Å; I245-V259 HydrophobicContact CB-CG2 4.41Å; I245-V259 HydrophobicContact CD1-CG2 4.28Å; I245-V259 HydrophobicContact CG1-CG2 4.45Å; I245-N269 HydrophobicContact CD1-CB 4.23Å; I245-N269 HydrophobicContact CG1-CB 4.11Å; I245-N269 WeakPolarHBondContact CG1-O 3.27Å; I245-L296 HydrophobicContact CG2-CD2 4.11Å; I245-Y298 HydrophobicContact CD1-CD1 4.12Å; I245-Y298 HydrophobicContact CD1-CD2 3.79Å; I245-Y298 HydrophobicContact CD1-CG 3.57Å
246	Y	97	Very high	94.1	Very high	18 Å²	18	42.7 Å²	42.7	7%	0.071	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140.5	171.1	-63.6	-97.9	0	0	0	109.7	I238 F239 F241 N244 I256 R257	I238-Y246 CarbonylContact C-O 3.54Å; I238-Y246 WeakPolarHBondContact CA-O 3.19Å; I238-Y246 VanDerWaalsContact CB-O 3.28Å; I238-Y246 WeakPolarHBondContact CB-O 3.38Å; I238-Y246 WeakPolarHBondContact CG2-O 3.4Å; F239-Y246 HydrophobicContact CD2-CD2 4.13Å; F239-Y246 HydrophobicContact CD2-CG 4.21Å; F239-Y246 VanDerWaalsContact CE2-CB 3.48Å; F239-Y246 HydrophobicContact CE2-CD1 4.27Å; F239-Y246 AromaticContact CE2-CD2 3.8Å; F239-Y246 HydrophobicContact CE2-CD2 3.8Å; F239-Y246 AromaticContact CE2-CG 3.59Å; F239-Y246 HydrophobicContact CE2-CG 3.59Å; F239-Y246 HydrophobicContact CZ-CD1 4.26Å; F239-Y246 HydrophobicContact CZ-CD2 4.47Å; F239-Y246 AromaticContact CZ-CG 3.81Å; F239-Y246 HydrophobicContact CZ-CG 3.81Å; F239-Y246 PolarHBondContact N-O 3.45Å; F239-Y246 PolarHBondContact O-N 2.86Å; F241-Y246 HydrophobicContact CB-CD2 4.27Å; F241-Y246 HydrophobicContact CB-CE2 3.92Å; F241-Y246 HydrophobicContact CD1-CE2 4.35Å; N244-Y246 HydrophobicContact CB-CE2 3.96Å; N244-Y246 WeakPolarHBondContact O-CD2 3.33Å; Y246-I256 CarbonylContact C-O 3.54Å; Y246-I256 WeakPolarHBondContact CA-O 3.38Å; Y246-R257 HydrophobicContact CD1-CB 3.89Å; Y246-R257 HydrophobicContact CD1-CG 4.3Å; Y246-R257 HydrophobicContact CE1-CB 3.71Å; Y246-R257 HydrophobicContact CE1-CG 3.92Å
247	Y	96.4	Very high	94.1	Very high	16 Å²	16	48.5 Å²	48.5	6%	0.063	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.7	179.8	169.7	-112.8	0	0	0	111.1	Q236 L237 I238 A249 S255 I256 L258 W289 L344	Q236-Y247 HydrophobicContact CB-CE2 4Å; Q236-Y247 HydrophobicContact CG-CE2 4.5Å; L237-Y247 WeakPolarHBondContact O-CD2 2.97Å; I238-Y247 HydrophobicContact CG2-CD2 3.84Å; I238-Y247 HydrophobicContact CG2-CG 4.42Å; Y247-A249 HydrophobicContact CE1-CB 3.89Å; Y247-A249 WeakPolarHBondContact OH-CA 3.44Å; Y247-S255 CarbonylContact O-C 3.55Å; Y247-S255 WeakPolarHBondContact O-CA 3.3Å; Y247-I256 HydrophobicContact CD1-CD1 3.89Å; Y247-I256 HydrophobicContact CD1-CG1 4.01Å; Y247-I256 PolarHBondContact N-O 3.28Å; Y247-I256 PolarHBondContact O-N 3.14Å; Y247-L258 HydrophobicContact CD1-CD2 4.47Å; Y247-L258 HydrophobicContact CG-CD1 4.38Å; Y247-W289 AromaticContact CD2-CH2 3.87Å; Y247-W289 HydrophobicContact CD2-CH2 3.87Å; Y247-W289 HydrophobicContact CD2-CZ3 4.35Å; Y247-W289 AromaticContact CE2-CH2 3.74Å; Y247-W289 HydrophobicContact CE2-CH2 3.74Å; Y247-W289 AromaticContact CE2-CZ3 3.93Å; Y247-W289 HydrophobicContact CE2-CZ3 3.93Å; Y247-L344 HydrophobicContact CD1-CD2 4.07Å; Y247-L344 HydrophobicContact CD2-CD1 4.22Å; Y247-L344 HydrophobicContact CD2-CD2 4.38Å; Y247-L344 HydrophobicContact CE1-CB 4.03Å; Y247-L344 HydrophobicContact CE1-CD2 4.26Å; Y247-L344 HydrophobicContact CE2-CD1 3.84Å; Y247-L344 HydrophobicContact CG-CD2 4.12Å
248	R	94.1	Very high	94.1	Very high	48 Å²	48	49.3 Å²	49.3	18%	0.181	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	114.4	177.8	177	171.9	-161.7	-160.4	4.2	107.6	Q236 L237 T250 D252 T253	Q236-R248 WeakPolarHBondContact CA-O 3.43Å; L237-R248 HydrophobicContact CD1-CB 3.95Å; L237-R248 HydrophobicContact CG-CB 4.03Å; L237-R248 PolarHBondContact N-O 3.13Å; L237-R248 PolarHBondContact O-N 2.72Å; R248-T250 WeakPolarHBondContact CG-O 3.33Å; R248-T250 PolarHBondContact NE-O 3.2Å; R248-D252 VanDerWaalsContact NH2-N 3.14Å; R248-T253 PolarHBondContact NE-O 2.65Å; R248-T253 PolarHBondContact NH2-O 2.84Å
249	A	92.2	Very high	93.9	Very high	43 Å²	43	49.8 Å²	49.8	36%	0.355	24%	0.239	S	C	.	.	S	Bend	trans	-70.6	-36.9	-171.6	0	0	0	0	0	112.6	Q236 Y247	Q236-A249 VanDerWaalsContact CA-O 3.25Å; Q236-A249 WeakPolarHBondContact CA-O 2.91Å; Q236-A249 WeakPolarHBondContact CB-O 3.03Å; Q236-A249 PolarHBondContact N-O 3.4Å; Y247-A249 HydrophobicContact CE1-CB 3.89Å; Y247-A249 WeakPolarHBondContact OH-CA 3.44Å
250	T	90.8	Very high	93.8	Very high	56 Å²	56	53.7 Å²	53.7	34%	0.344	27%	0.266	S	S	.	.	S	Bend	trans	-142	167	169.9	59	0	0	0	0	108.9	R248 T253	R248-T250 WeakPolarHBondContact CG-O 3.33Å; R248-T250 PolarHBondContact NE-O 3.2Å; T250-T253 PolarHBondContact N-OG1 2.83Å; T250-T253 PolarHBondContact O-OG1 3.46Å; T250-T253 VanDerWaalsContact OG1-CG2 3.27Å; T250-T253 WeakPolarHBondContact OG1-CG2 3.49Å
251	L	88.4	Confident	93.7	Very high	10 Å²	10	57.4 Å²	57.4	5%	0.052	29%	0.289	C	S	.	.	S	Bend	trans	-57.6	171.1	154.1	-48	-175.3	0	0	0	109	H183 I204 W213 W230 L237 T253	H183-L251 VanDerWaalsContact CD2-CD1 3.44Å; H183-L251 WeakPolarHBondContact CD2-CD1 3.36Å; I204-L251 HydrophobicContact CD1-CD2 3.78Å; I204-L251 HydrophobicContact CG2-CD1 3.87Å; I204-L251 HydrophobicContact CG2-CD2 4.3Å; W213-L251 HydrophobicContact CZ3-CD1 4.42Å; W230-L251 HydrophobicContact CH2-CD2 4.34Å; W230-L251 HydrophobicContact CZ3-CD2 4.43Å; L237-L251 HydrophobicContact CD2-CD2 3.97Å; L251-T253 PolarHBondContact O-N 2.74Å
252	D	86.6	Confident	93.6	Very high	157 Å²	157	56.8 Å²	56.8	84%	0.84	29%	0.291	S	S	*	.	S	Bend	trans	67.2	-45	-167.4	-38.7	-35.5	0	0	0	115.4	R248	R248-D252 VanDerWaalsContact NH2-N 3.14Å
253	T	88.1	Confident	93.6	Very high	57 Å²	57	57.4 Å²	57.4	35%	0.35	29%	0.292	S	S	.	.	S	Bend	trans	-67.5	148.3	175.7	64.6	0	0	0	0	111.6	R248 T250 L251	R248-T253 PolarHBondContact NE-O 2.65Å; R248-T253 PolarHBondContact NH2-O 2.84Å; T250-T253 PolarHBondContact N-OG1 2.83Å; T250-T253 PolarHBondContact O-OG1 3.46Å; T250-T253 VanDerWaalsContact OG1-CG2 3.27Å; T250-T253 WeakPolarHBondContact OG1-CG2 3.49Å; L251-T253 PolarHBondContact O-N 2.74Å
254	R	89.4	Confident	93.3	Very high	230 Å²	230	62.9 Å²	62.9	87%	0.868	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-74.9	142.6	174.5	-67.2	-175	178.6	-170.2	-0.7	110.4	I256	R254-I256 PolarHBondContact O-N 3.48Å
255	S	92.3	Very high	93	Very high	21 Å²	21	63.9 Å²	63.9	15%	0.147	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-64	129.6	173.2	-48.4	0	0	0	0	110.8	F239 Y247	F239-S255 WeakPolarHBondContact CE1-OG 3.13Å; Y247-S255 CarbonylContact O-C 3.55Å; Y247-S255 WeakPolarHBondContact O-CA 3.3Å
256	I	93.1	Very high	92.9	Very high	73 Å²	73	64.7 Å²	64.7	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.1	174.3	67.2	-179	0	0	0	110.1	Y246 Y247 R254 L258 L348	Y246-I256 CarbonylContact C-O 3.54Å; Y246-I256 WeakPolarHBondContact CA-O 3.38Å; Y247-I256 HydrophobicContact CD1-CD1 3.89Å; Y247-I256 HydrophobicContact CD1-CG1 4.01Å; Y247-I256 PolarHBondContact N-O 3.28Å; Y247-I256 PolarHBondContact O-N 3.14Å; R254-I256 PolarHBondContact O-N 3.48Å; I256-L258 HydrophobicContact CD1-CD2 4.19Å; I256-L258 HydrophobicContact CG1-CD2 4.19Å; I256-L258 PolarHBondContact O-N 2.88Å; I256-L348 HydrophobicContact CD1-CD1 4.16Å; I256-L348 HydrophobicContact CD1-CD2 4.17Å
257	R	95.2	Very high	92.9	Very high	139 Å²	139	65.4 Å²	65.4	53%	0.525	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.6	174.8	-174.7	168.1	65.5	-172.4	1.8	109.2	Y246 V259	Y246-R257 HydrophobicContact CD1-CB 3.89Å; Y246-R257 HydrophobicContact CD1-CG 4.3Å; Y246-R257 HydrophobicContact CE1-CB 3.71Å; Y246-R257 HydrophobicContact CE1-CG 3.92Å; R257-V259 WeakPolarHBondContact CD-O 3.48Å; R257-V259 WeakPolarHBondContact CG-O 3.32Å
258	L	95.1	Very high	93	Very high	19 Å²	19	65.8 Å²	65.8	10%	0.099	35%	0.346	C	S	.	.	S	Bend	trans	-77.9	-32.7	179.9	-63.5	-179	0	0	0	112.4	I245 Y247 I256 L296 V342 L344 L348	I245-L258 HydrophobicContact CB-CB 4.49Å; I245-L258 HydrophobicContact CG2-CD1 4.07Å; I245-L258 PolarHBondContact O-N 3.28Å; Y247-L258 HydrophobicContact CD1-CD2 4.47Å; Y247-L258 HydrophobicContact CG-CD1 4.38Å; I256-L258 HydrophobicContact CD1-CD2 4.19Å; I256-L258 HydrophobicContact CG1-CD2 4.19Å; I256-L258 PolarHBondContact O-N 2.88Å; L258-L296 HydrophobicContact CD1-CD2 3.97Å; L258-V342 HydrophobicContact CD1-CG1 4.08Å; L258-L344 HydrophobicContact CD1-CD2 3.64Å; L258-L344 HydrophobicContact CD2-CD2 3.9Å; L258-L344 HydrophobicContact CG-CD2 4.45Å; L258-L348 HydrophobicContact CD2-CD1 4.32Å; L258-L348 HydrophobicContact CD2-CD2 3.77Å
259	V	94.9	Very high	93.2	Very high	10 Å²	10	63.6 Å²	63.6	6%	0.061	34%	0.337	C	S	.	.			trans	-137.8	136.2	-175	-171.6	0	0	0	0	108.9	N244 I245 R257 T261 N269 Y298	N244-V259 WeakPolarHBondContact CB-O 3.05Å; N244-V259 PolarHBondContact OD1-O 3.23Å; N244-V259 VanDerWaalsContact OD1-O 3.05Å; I245-V259 HydrophobicContact CB-CG2 4.41Å; I245-V259 HydrophobicContact CD1-CG2 4.28Å; I245-V259 HydrophobicContact CG1-CG2 4.45Å; R257-V259 WeakPolarHBondContact CD-O 3.48Å; R257-V259 WeakPolarHBondContact CG-O 3.32Å; V259-T261 VanDerWaalsContact CG1-OG1 3.24Å; V259-T261 WeakPolarHBondContact CG1-OG1 3.34Å; V259-N269 HydrophobicContact CG1-CB 4.15Å; V259-Y298 HydrophobicContact CG1-CE2 4.42Å; V259-Y298 HydrophobicContact CG2-CD2 4.46Å; V259-Y298 HydrophobicContact CG2-CE1 3.89Å; V259-Y298 HydrophobicContact CG2-CE2 3.73Å; V259-Y298 VanDerWaalsContact CG2-CZ 3.4Å; V259-Y298 WeakPolarHBondContact CG2-OH 3.4Å
260	S	94.2	Very high	93.4	Very high	81 Å²	81	61.5 Å²	61.5	57%	0.566	32%	0.32	S	S	*	.			trans	-125.6	15.2	-179.1	68.7	0	0	0	0	113.7	N244	N244-S260 VanDerWaalsContact OD1-C 3.23Å; N244-S260 WeakPolarHBondContact OD1-CA 3.4Å
261	T	95.8	Very high	93.8	Very high	79 Å²	79	59.5 Å²	59.5	49%	0.485	31%	0.307	S	S	.	.			trans	-90.3	-3.9	178	53.1	0	0	0	0	112.9	N244 V259 I267 N269	N244-T261 PolarHBondContact OD1-N 3.49Å; V259-T261 VanDerWaalsContact CG1-OG1 3.24Å; V259-T261 WeakPolarHBondContact CG1-OG1 3.34Å; T261-I267 WeakPolarHBondContact O-CG2 3.19Å; T261-N269 PolarHBondContact OG1-ND2 3.49Å; T261-N269 PolarHBondContact OG1-OD1 2.86Å
262	G	95.2	Very high	94.2	Very high	17 Å²	17	59.3 Å²	59.3	18%	0.175	31%	0.307	C	S	.	.			trans	-62	133.9	180	0	0	0	0	0	111.3	S243 N244 N269	S243-G262 WeakPolarHBondContact O-CA 3.15Å; N244-G262 VanDerWaalsContact OD1-CA 3.32Å; N244-G262 WeakPolarHBondContact OD1-CA 3.28Å; N244-G262 PolarHBondContact OD1-N 2.85Å; G262-N269 VanDerWaalsContact CA-ND2 3.29Å; G262-N269 WeakPolarHBondContact CA-ND2 3.45Å; G262-N269 PolarHBondContact N-ND2 3.32Å
263	K	95.9	Very high	94.7	Very high	122 Å²	122	52 Å²	52	53%	0.53	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-134.9	118.8	174.9	-178.7	179.6	177.5	-172.1	0	106.8	G265 V266 I267	K263-G265 PolarHBondContact O-N 2.82Å; K263-V266 HydrophobicContact CB-CB 4.33Å; K263-V266 HydrophobicContact CD-CB 3.97Å; K263-V266 HydrophobicContact CD-CG1 4.27Å; K263-V266 HydrophobicContact CD-CG2 4.07Å; K263-V266 HydrophobicContact CG-CB 4.08Å; K263-V266 HydrophobicContact CG-CG2 4.23Å; K263-V266 PolarHBondContact O-N 3.32Å; K263-I267 HydrophobicContact CB-CB 4.12Å; K263-I267 HydrophobicContact CB-CD1 4.41Å; K263-I267 HydrophobicContact CB-CG1 4.22Å; K263-I267 PolarHBondContact N-O 2.89Å; K263-I267 VanDerWaalsContact N-O 3.14Å; K263-I267 PolarHBondContact O-N 2.84Å
264	D	89.9	Confident	95	Very high	116 Å²	116	49.4 Å²	49.4	62%	0.62	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	136	-172.7	-168.9	35.4	0	0	0	111.8	V266	D264-V266 PolarHBondContact O-N 3.16Å
265	G	89.8	Confident	95.4	Very high	30 Å²	30	38.4 Å²	38.4	31%	0.309	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-1.1	-174.1	0	0	0	0	0	117.6	K263 H326	K263-G265 PolarHBondContact O-N 2.82Å; G265-H326 PolarHBondContact O-CE1 2.89Å; G265-H326 PolarHBondContact O-ND1 2.85Å
266	V	96.3	Very high	95.7	Very high	17 Å²	17	37.4 Å²	37.4	10%	0.103	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-41.7	-172.1	-173.3	0	0	0	0	114	K263 D264 D303 T304	K263-V266 HydrophobicContact CB-CB 4.33Å; K263-V266 HydrophobicContact CD-CB 3.97Å; K263-V266 HydrophobicContact CD-CG1 4.27Å; K263-V266 HydrophobicContact CD-CG2 4.07Å; K263-V266 HydrophobicContact CG-CB 4.08Å; K263-V266 HydrophobicContact CG-CG2 4.23Å; K263-V266 PolarHBondContact O-N 3.32Å; D264-V266 PolarHBondContact O-N 3.16Å; V266-D303 PolarHBondContact O-N 3Å; V266-T304 WeakPolarHBondContact CG1-OG1 3.16Å
267	I	97.9	Very high	95.8	Very high	32 Å²	32	34 Å²	34	16%	0.164	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	110.6	179.7	-56.7	178.4	0	0	0	108	S243 T261 K263 T300 I301	S243-I267 WeakPolarHBondContact CB-O 3Å; T261-I267 WeakPolarHBondContact O-CG2 3.19Å; K263-I267 HydrophobicContact CB-CB 4.12Å; K263-I267 HydrophobicContact CB-CD1 4.41Å; K263-I267 HydrophobicContact CB-CG1 4.22Å; K263-I267 PolarHBondContact N-O 2.89Å; K263-I267 VanDerWaalsContact N-O 3.14Å; K263-I267 PolarHBondContact O-N 2.84Å; I267-T300 HydrophobicContact CG2-CG2 3.95Å; I267-I301 CarbonylContact C-O 3.6Å; I267-I301 WeakPolarHBondContact CA-O 3.4Å
268	F	98	Very high	95.7	Very high	25 Å²	25	27.7 Å²	27.7	11%	0.11	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.7	-177.6	-58.2	-89.1	0	0	0	109.8	L271 D273 T300 I301 D303	F268-L271 WeakPolarHBondContact CB-O 3.42Å; F268-D273 HydrophobicContact CD2-CB 3.94Å; F268-D273 HydrophobicContact CE2-CB 3.92Å; F268-T300 CarbonylContact O-C 3.58Å; F268-T300 VanDerWaalsContact O-CA 3.29Å; F268-T300 WeakPolarHBondContact O-CA 3.42Å; F268-I301 HydrophobicContact CB-CB 4.39Å; F268-I301 PolarHBondContact N-O 2.85Å; F268-I301 PolarHBondContact O-N 3.13Å; F268-D303 VanDerWaalsContact CE2-OD2 3.27Å; F268-D303 WeakPolarHBondContact CE2-OD2 3.27Å
269	N	98.2	Very high	95.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.8	173.9	-59.2	-79.2	0	0	0	109.7	S243 I245 V259 T261 G262 L271 Y298 T300	S243-N269 WeakPolarHBondContact O-CB 3.2Å; S243-N269 PolarHBondContact O-N 3.11Å; S243-N269 PolarHBondContact O-ND2 2.79Å; I245-N269 HydrophobicContact CD1-CB 4.23Å; I245-N269 HydrophobicContact CG1-CB 4.11Å; I245-N269 WeakPolarHBondContact CG1-O 3.27Å; V259-N269 HydrophobicContact CG1-CB 4.15Å; T261-N269 PolarHBondContact OG1-ND2 3.49Å; T261-N269 PolarHBondContact OG1-OD1 2.86Å; G262-N269 VanDerWaalsContact CA-ND2 3.29Å; G262-N269 WeakPolarHBondContact CA-ND2 3.45Å; G262-N269 PolarHBondContact N-ND2 3.32Å; N269-L271 PolarHBondContact O-N 3.17Å; N269-Y298 HydrophobicContact CB-CD2 4.29Å; N269-Y298 HydrophobicContact CB-CE2 4.41Å; N269-T300 WeakPolarHBondContact OD1-CB 3.41Å; N269-T300 WeakPolarHBondContact OD1-CG2 3.37Å; N269-T300 PolarHBondContact OD1-OG1 2.77Å
270	G	97.1	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	75.5	-1.9	-179.9	0	0	0	0	0	115.1	A286 H287 M299	G270-A286 WeakPolarHBondContact CA-O 3.42Å; G270-A286 CarbonylContact O-C 3.46Å; G270-A286 WeakPolarHBondContact O-CA 3.38Å; G270-A286 PolarHBondContact O-N 3.39Å; G270-H287 PolarHBondContact O-N 3.28Å; G270-H287 PolarHBondContact O-ND1 3.01Å; G270-M299 PolarHBondContact N-O 2.85Å
271	L	97.5	Very high	95.8	Very high	13 Å²	13	24.5 Å²	24.5	7%	0.068	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-125.1	161.3	169.5	-62.9	177	0	0	0	109.7	Q226 Y227 I240 F268 N269 H284	Q226-L271 HydrophobicContact CB-CD1 3.49Å; Q226-L271 VanDerWaalsContact CB-CD1 3.49Å; Q226-L271 HydrophobicContact CG-CD1 4.45Å; Y227-L271 HydrophobicContact CG-CD2 4.42Å; I240-L271 HydrophobicContact CB-CD1 4.13Å; I240-L271 HydrophobicContact CD1-CD1 4.23Å; I240-L271 HydrophobicContact CD1-CD2 3.95Å; I240-L271 HydrophobicContact CD1-CG 3.68Å; I240-L271 HydrophobicContact CG2-CD1 3.75Å; I240-L271 HydrophobicContact CG2-CG 4.19Å; F268-L271 WeakPolarHBondContact CB-O 3.42Å; N269-L271 PolarHBondContact O-N 3.17Å; L271-H284 WeakPolarHBondContact CA-O 3.41Å; L271-H284 VanDerWaalsContact CD2-O 3.31Å; L271-H284 WeakPolarHBondContact CD2-O 3.43Å
272	T	97.4	Very high	95.7	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.043	14%	0.138	C	C	.	.			trans	-85.3	156.5	174.7	55.2	0	0	0	0	112.5	E277 L281 T283 H284 A286	T272-E277 WeakPolarHBondContact OG1-CB 3.16Å; T272-L281 HydrophobicContact CG2-CD1 3.9Å; T272-T283 VanDerWaalsContact CG2-O 3.3Å; T272-T283 WeakPolarHBondContact CG2-O 3.42Å; T272-T283 PolarHBondContact OG1-O 2.85Å; T272-H284 PolarHBondContact N-O 2.94Å; T272-H284 WeakPolarHBondContact OG1-CA 3.48Å; T272-A286 HydrophobicContact CG2-CB 4.01Å
273	D	96.7	Very high	95.7	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	14%	0.143	C	C	.	.			trans	-78.3	-174.5	155.4	76.2	-60.1	0	0	0	109.9	F268 L275 Y276 E277 I301 D303	F268-D273 HydrophobicContact CD2-CB 3.94Å; F268-D273 HydrophobicContact CE2-CB 3.92Å; D273-L275 WeakPolarHBondContact OD2-CA 3.43Å; D273-L275 WeakPolarHBondContact OD2-CB 3.44Å; D273-L275 PolarHBondContact OD2-N 2.96Å; D273-Y276 VanDerWaalsContact OD1-CB 3.29Å; D273-Y276 WeakPolarHBondContact OD1-CB 3.21Å; D273-Y276 VanDerWaalsContact OD1-CD2 3.22Å; D273-Y276 WeakPolarHBondContact OD1-CD2 3.32Å; D273-Y276 PolarHBondContact OD1-N 3.04Å; D273-Y276 VanDerWaalsContact OD1-N 3.15Å; D273-E277 VanDerWaalsContact O-CB 3.3Å; D273-E277 WeakPolarHBondContact O-CB 3.45Å; D273-E277 PolarHBondContact O-N 3.01Å; D273-I301 HydrophobicContact CB-CG2 4.18Å; D273-I301 WeakPolarHBondContact OD1-CD1 3.46Å; D273-D303 VanDerWaalsContact CB-OD2 3.3Å; D273-D303 WeakPolarHBondContact CB-OD2 3.41Å
274	W	96.1	Very high	95.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-62.3	-43.9	178.2	-179	90.6	0	0	0	113.1	Y194 E277 E278 E279 Y325 Y327 A728 E771 K772	Y194-W274 AromaticContact CD1-CD1 3.82Å; Y194-W274 HydrophobicContact CD2-CB 4.37Å; Y194-W274 AromaticContact CE1-CD1 3.83Å; Y194-W274 HydrophobicContact CE2-CB 3.83Å; Y194-W274 HydrophobicContact CE2-CG 4.4Å; Y194-W274 AromaticContact CG-CD1 3.93Å; Y194-W274 AromaticContact CZ-CD1 3.97Å; W274-E277 PolarHBondContact O-N 2.93Å; W274-E278 HydrophobicContact CD2-CG 4.24Å; W274-E278 HydrophobicContact CG-CG 4.47Å; W274-E278 HydrophobicContact CH2-CB 4.24Å; W274-E278 HydrophobicContact CZ2-CB 3.94Å; W274-E278 HydrophobicContact CZ2-CG 3.79Å; W274-E278 WeakPolarHBondContact O-CB 3.42Å; W274-E278 WeakPolarHBondContact O-CG 3.3Å; W274-E278 PolarHBondContact O-N 2.87Å; W274-E279 HydrophobicContact CH2-CG 4.32Å; W274-Y325 HydrophobicContact CB-CD2 4.04Å; W274-Y325 HydrophobicContact CB-CE2 4Å; W274-Y325 AromaticContact CD1-CE2 3.63Å; W274-Y325 HydrophobicContact CD2-CE2 4.22Å; W274-Y325 HydrophobicContact CG-CD2 4.18Å; W274-Y325 AromaticContact CG-CE2 3.64Å; W274-Y325 HydrophobicContact CG-CE2 3.64Å; W274-Y327 AromaticContact CD2-CD2 3.71Å; W274-Y327 HydrophobicContact CD2-CD2 3.71Å; W274-Y327 AromaticContact CD2-CE2 3.91Å; W274-Y327 HydrophobicContact CD2-CE2 3.91Å; W274-Y327 AromaticContact CE2-CD2 3.98Å; W274-Y327 AromaticContact CE2-CE2 3.76Å; W274-Y327 AromaticContact CE3-CD2 3.51Å; W274-Y327 HydrophobicContact CE3-CD2 3.51Å; W274-Y327 AromaticContact CE3-CE2 3.67Å; W274-Y327 HydrophobicContact CE3-CE2 3.67Å; W274-Y327 HydrophobicContact CE3-CG 4.35Å; W274-Y327 HydrophobicContact CH2-CD2 4.07Å; W274-Y327 AromaticContact CH2-CE2 3.31Å; W274-Y327 HydrophobicContact CH2-CE2 3.31Å; W274-Y327 AromaticContact CH2-CZ 3.86Å; W274-Y327 HydrophobicContact CZ2-CD2 4.18Å; W274-Y327 AromaticContact CZ2-CE2 3.5Å; W274-Y327 HydrophobicContact CZ2-CE2 3.5Å; W274-Y327 VanDerWaalsContact CZ2-CE2 3.5Å; W274-Y327 AromaticContact CZ3-CD2 3.71Å; W274-Y327 HydrophobicContact CZ3-CD2 3.71Å; W274-Y327 AromaticContact CZ3-CE2 3.37Å; W274-Y327 HydrophobicContact CZ3-CE2 3.37Å; W274-Y327 AromaticContact CZ3-CZ 3.95Å; W274-A728 HydrophobicContact CH2-CB 3.68Å; W274-A728 HydrophobicContact CZ3-CB 3.6Å; W274-E771 PolarHBondContact NE1-O 2.91Å; W274-K772 HydrophobicContact CZ2-CB 4.48Å; W274-K772 HydrophobicContact CZ2-CG 4.27Å
275	L	97	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-44.4	-177	-172.5	73.5	0	0	0	111	D273 E279 I280 P328 P335 Y366 A728 A730	D273-L275 WeakPolarHBondContact OD2-CA 3.43Å; D273-L275 WeakPolarHBondContact OD2-CB 3.44Å; D273-L275 PolarHBondContact OD2-N 2.96Å; L275-E279 HydrophobicContact CD1-CB 4.32Å; L275-E279 PolarHBondContact O-N 3.24Å; L275-I280 HydrophobicContact CG-CG1 4.43Å; L275-I280 PolarHBondContact O-N 3.34Å; L275-P328 HydrophobicContact CB-CG 4.31Å; L275-P328 HydrophobicContact CD1-CG 4.03Å; L275-P328 HydrophobicContact CD2-CG 3.81Å; L275-P328 HydrophobicContact CG-CG 4.26Å; L275-P335 HydrophobicContact CB-CG 4.34Å; L275-P335 HydrophobicContact CD2-CG 3.71Å; L275-Y366 HydrophobicContact CD2-CE1 4.03Å; L275-A728 HydrophobicContact CD1-CB 4.2Å; L275-A730 HydrophobicContact CD1-CB 3.76Å; L275-A730 HydrophobicContact CD2-CB 4.44Å; L275-A730 HydrophobicContact CG-CB 4.3Å
276	Y	97.7	Very high	96.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	I	π-helix	trans	-69.7	-34.6	178.1	-86.3	-103.8	0	0	0	112.7	D273 I280 L281 M299 I301 P335 V337 Y366 I367	D273-Y276 VanDerWaalsContact OD1-CB 3.29Å; D273-Y276 WeakPolarHBondContact OD1-CB 3.21Å; D273-Y276 VanDerWaalsContact OD1-CD2 3.22Å; D273-Y276 WeakPolarHBondContact OD1-CD2 3.32Å; D273-Y276 PolarHBondContact OD1-N 3.04Å; D273-Y276 VanDerWaalsContact OD1-N 3.15Å; Y276-I280 HydrophobicContact CD1-CB 3.94Å; Y276-I280 HydrophobicContact CD1-CG1 4.42Å; Y276-I280 HydrophobicContact CD1-CG2 3.81Å; Y276-I280 HydrophobicContact CD2-CG1 4.46Å; Y276-I280 HydrophobicContact CE1-CB 4.31Å; Y276-I280 HydrophobicContact CE1-CG2 3.75Å; Y276-I280 HydrophobicContact CG-CB 4.22Å; Y276-I280 HydrophobicContact CG-CG1 4.36Å; Y276-L281 HydrophobicContact CD1-CD1 3.86Å; Y276-L281 HydrophobicContact CD1-CG 3.91Å; Y276-L281 WeakPolarHBondContact O-CB 3.33Å; Y276-L281 PolarHBondContact O-N 3.21Å; Y276-M299 HydrophobicContact CD1-CE 3.61Å; Y276-M299 HydrophobicContact CD1-SD 4.35Å; Y276-M299 HydrophobicContact CE1-CE 3.83Å; Y276-M299 HydrophobicContact CE1-SD 3.94Å; Y276-M299 HydrophobicContact CG-CE 4.32Å; Y276-I301 HydrophobicContact CD1-CD1 4.35Å; Y276-I301 HydrophobicContact CD2-CD1 3.86Å; Y276-I301 HydrophobicContact CG-CD1 3.75Å; Y276-P335 HydrophobicContact CD2-CG 4.14Å; Y276-P335 HydrophobicContact CE2-CB 4.25Å; Y276-P335 HydrophobicContact CE2-CG 3.95Å; Y276-V337 HydrophobicContact CD2-CG1 4.45Å; Y276-V337 HydrophobicContact CE1-CG1 4.29Å; Y276-V337 HydrophobicContact CE2-CG1 3.56Å; Y276-V337 VanDerWaalsContact CZ-CG1 3.46Å; Y276-V337 VanDerWaalsContact OH-CG1 3.26Å; Y276-V337 WeakPolarHBondContact OH-CG1 3.46Å; Y276-V337 VanDerWaalsContact OH-CG2 3.24Å; Y276-V337 WeakPolarHBondContact OH-CG2 3.05Å; Y276-Y366 HydrophobicContact CE2-CD1 4.38Å; Y276-Y366 VanDerWaalsContact OH-CA 3.3Å; Y276-Y366 WeakPolarHBondContact OH-CA 3.24Å; Y276-I367 WeakPolarHBondContact CE1-O 3.48Å; Y276-I367 PolarHBondContact OH-N 2.85Å
277	E	95.8	Very high	96.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.086	C	C	.	.	I	π-helix	trans	-65	-48.6	177.1	-168.8	168.5	154.9	0	0	112	Y194 Q195 Y196 S197 T272 D273 W274 Q282 H284	Y194-E277 WeakPolarHBondContact CD2-OE2 3.48Å; Q195-E277 PolarHBondContact N-OE1 2.84Å; Y196-E277 VanDerWaalsContact CA-OE1 3.3Å; Y196-E277 WeakPolarHBondContact CA-OE1 3.37Å; Y196-E277 WeakPolarHBondContact CB-OE1 3.47Å; Y196-E277 HydrophobicContact CD2-CG 3.85Å; Y196-E277 PolarHBondContact N-OE1 2.97Å; S197-E277 WeakPolarHBondContact CB-OE2 3.45Å; S197-E277 PolarHBondContact N-OE1 2.9Å; S197-E277 VanDerWaalsContact OG-CD 3.26Å; S197-E277 PolarHBondContact OG-OE1 2.83Å; S197-E277 VanDerWaalsContact OG-OE1 3.05Å; S197-E277 PolarHBondContact OG-OE2 2.81Å; T272-E277 WeakPolarHBondContact OG1-CB 3.16Å; D273-E277 VanDerWaalsContact O-CB 3.3Å; D273-E277 WeakPolarHBondContact O-CB 3.45Å; D273-E277 PolarHBondContact O-N 3.01Å; W274-E277 PolarHBondContact O-N 2.93Å; E277-Q282 WeakPolarHBondContact O-CA 3.46Å; E277-Q282 PolarHBondContact O-N 3.44Å; E277-H284 HydrophobicContact CG-CB 4.48Å
278	E	92.7	Very high	96.5	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.028	9%	0.088	C	C	.	.	I	π-helix	trans	-88.6	-39.2	-168.9	-65.6	-68.6	145.6	0	0	113.9	Q195 W274 K772	Q195-E278 WeakPolarHBondContact CB-OE1 3.45Å; Q195-E278 PolarHBondContact N-OE1 3.09Å; Q195-E278 VanDerWaalsContact N-OE1 3.09Å; Q195-E278 PolarHBondContact OE1-OE2 3.48Å; W274-E278 HydrophobicContact CD2-CG 4.24Å; W274-E278 HydrophobicContact CG-CG 4.47Å; W274-E278 HydrophobicContact CH2-CB 4.24Å; W274-E278 HydrophobicContact CZ2-CB 3.94Å; W274-E278 HydrophobicContact CZ2-CG 3.79Å; W274-E278 WeakPolarHBondContact O-CB 3.42Å; W274-E278 WeakPolarHBondContact O-CG 3.3Å; W274-E278 PolarHBondContact O-N 2.87Å; E278-K772 IonicContact OE2-NZ 3.54Å; E278-K772 PolarHBondContact OE2-NZ 3.13Å
279	E	94.8	Very high	96.5	Very high	17 Å²	17	18.8 Å²	18.8	8%	0.079	9%	0.09	C	C	.	.	I	π-helix	trans	-118.8	-18.9	-163.8	-67.1	-67.5	167.7	0	0	115.3	W274 L275 Y727 A728 A730 R734	W274-E279 HydrophobicContact CH2-CG 4.32Å; L275-E279 HydrophobicContact CD1-CB 4.32Å; L275-E279 PolarHBondContact O-N 3.24Å; E279-Y727 PolarHBondContact OE1-OH 2.84Å; E279-A728 HydrophobicContact CG-CB 4.29Å; E279-A730 HydrophobicContact CB-CB 3.97Å; E279-R734 PolarHBondContact O-NH2 2.84Å; E279-R734 IonicContact OE2-NH1 3.01Å
280	I	96.3	Very high	96.4	Very high	9 Å²	9	18.7 Å²	18.7	5%	0.046	9%	0.089	C	C	.	.	I	π-helix	trans	-111	-61.9	-176.3	-50.5	-61.1	0	0	0	113.2	L275 Y276 Y366 T368 A730	L275-I280 HydrophobicContact CG-CG1 4.43Å; L275-I280 PolarHBondContact O-N 3.34Å; Y276-I280 HydrophobicContact CD1-CB 3.94Å; Y276-I280 HydrophobicContact CD1-CG1 4.42Å; Y276-I280 HydrophobicContact CD1-CG2 3.81Å; Y276-I280 HydrophobicContact CD2-CG1 4.46Å; Y276-I280 HydrophobicContact CE1-CB 4.31Å; Y276-I280 HydrophobicContact CE1-CG2 3.75Å; Y276-I280 HydrophobicContact CG-CB 4.22Å; Y276-I280 HydrophobicContact CG-CG1 4.36Å; I280-Y366 HydrophobicContact CD1-CD1 3.74Å; I280-Y366 HydrophobicContact CD1-CD2 4.07Å; I280-Y366 HydrophobicContact CD1-CE1 3.97Å; I280-Y366 HydrophobicContact CD1-CE2 4.27Å; I280-Y366 HydrophobicContact CD1-CG 3.78Å; I280-Y366 HydrophobicContact CG1-CD1 4.12Å; I280-Y366 HydrophobicContact CG1-CG 4.45Å; I280-T368 HydrophobicContact CG2-CG2 3.95Å; I280-A730 HydrophobicContact CD1-CB 3.68Å
281	L	95.8	Very high	96.3	Very high	18 Å²	18	22 Å²	22	9%	0.094	11%	0.11	C	C	.	.	S	Bend	trans	-96.9	-26.3	-174.1	-70.2	177.6	0	0	0	113.5	T272 Y276 T283 M299 T368	T272-L281 HydrophobicContact CG2-CD1 3.9Å; Y276-L281 HydrophobicContact CD1-CD1 3.86Å; Y276-L281 HydrophobicContact CD1-CG 3.91Å; Y276-L281 WeakPolarHBondContact O-CB 3.33Å; Y276-L281 PolarHBondContact O-N 3.21Å; L281-T283 VanDerWaalsContact C-N 3.27Å; L281-T283 HydrophobicContact CB-CG2 4.03Å; L281-T283 PolarHBondContact O-N 2.9Å; L281-M299 HydrophobicContact CD1-CE 3.65Å; L281-T368 VanDerWaalsContact CD2-O 3.24Å; L281-T368 WeakPolarHBondContact CD2-O 3.48Å
282	Q	93.9	Very high	96.2	Very high	105 Å²	105	23.1 Å²	23.1	49%	0.491	12%	0.117	S	C	.	.	S	Bend	trans	61.5	35.2	-178	-53.2	-176.1	-47.5	0	0	112.8	Y196 E277 N418	Y196-Q282 HydrophobicContact CE2-CB 4.48Å; Y196-Q282 VanDerWaalsContact CE2-O 3.26Å; Y196-Q282 WeakPolarHBondContact CE2-O 3.47Å; Y196-Q282 PolarHBondContact OH-O 3Å; E277-Q282 WeakPolarHBondContact O-CA 3.46Å; E277-Q282 PolarHBondContact O-N 3.44Å; Q282-N418 PolarHBondContact OE1-ND2 3.5Å
283	T	95.3	Very high	96.1	Very high	45 Å²	45	22.9 Å²	22.9	28%	0.276	12%	0.115	S	C	.	.	S	Bend	trans	-161.5	150.7	176	176.9	0	0	0	0	109.4	T272 L281 I285	T272-T283 VanDerWaalsContact CG2-O 3.3Å; T272-T283 WeakPolarHBondContact CG2-O 3.42Å; T272-T283 PolarHBondContact OG1-O 2.85Å; L281-T283 VanDerWaalsContact C-N 3.27Å; L281-T283 HydrophobicContact CB-CG2 4.03Å; L281-T283 PolarHBondContact O-N 2.9Å; T283-I285 VanDerWaalsContact C-N 3.26Å; T283-I285 PolarHBondContact OG1-N 3.18Å
284	H	95.5	Very high	96	Very high	19 Å²	19	26.5 Å²	26.5	9%	0.088	13%	0.134	C	C	.	.	S	Bend	trans	-77.4	-12.7	172.4	68.8	-105.4	0	0	0	113.5	Y196 F198 Y227 L271 T272 E277	Y196-H284 PolarHBondContact O-CE1 2.81Å; Y196-H284 PolarHBondContact O-ND1 2.83Å; F198-H284 AromaticContact CE1-CE1 3.76Å; Y227-H284 AromaticContact CD2-NE2 3.76Å; L271-H284 WeakPolarHBondContact CA-O 3.41Å; L271-H284 VanDerWaalsContact CD2-O 3.31Å; L271-H284 WeakPolarHBondContact CD2-O 3.43Å; T272-H284 PolarHBondContact N-O 2.94Å; T272-H284 WeakPolarHBondContact OG1-CA 3.48Å; E277-H284 HydrophobicContact CG-CB 4.48Å
285	I	97.4	Very high	96	Very high	50 Å²	50	28.8 Å²	28.8	26%	0.256	14%	0.143	S	C	.	.	B	Isolated β-bridge	trans	-87.7	113.9	-173.6	-62.1	178.8	0	0	0	109.9	Y227 T283 H287	Y227-I285 HydrophobicContact CE2-CD1 3.86Å; Y227-I285 HydrophobicContact CE2-CG1 4.08Å; T283-I285 VanDerWaalsContact C-N 3.26Å; T283-I285 PolarHBondContact OG1-N 3.18Å; I285-H287 WeakPolarHBondContact CG2-O 3.38Å
286	A	97.8	Very high	96	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.			trans	-116.4	34.3	176.1	0	0	0	0	0	112.4	G270 T272 W288 Y298 M299	G270-A286 WeakPolarHBondContact CA-O 3.42Å; G270-A286 CarbonylContact O-C 3.46Å; G270-A286 WeakPolarHBondContact O-CA 3.38Å; G270-A286 PolarHBondContact O-N 3.39Å; T272-A286 HydrophobicContact CG2-CB 4.01Å; A286-W288 HydrophobicContact CB-CH2 4.35Å; A286-W288 VanDerWaalsContact O-CZ3 3.27Å; A286-W288 WeakPolarHBondContact O-CZ3 3.35Å; A286-Y298 WeakPolarHBondContact O-CA 3.18Å; A286-M299 HydrophobicContact CB-CB 4.11Å; A286-M299 HydrophobicContact CB-CE 3.84Å; A286-M299 PolarHBondContact O-N 3.06Å
287	H	98.1	Very high	96.1	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.032	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.1	175.5	63.7	-97.4	0	0	0	111.6	Y227 I238 G270 I285 L296 A297	Y227-H287 AromaticContact CD1-CE1 3.61Å; Y227-H287 AromaticContact CE1-CE1 3.25Å; Y227-H287 WeakPolarHBondContact CE1-CE1 3.37Å; Y227-H287 AromaticContact CE1-NE2 3.3Å; Y227-H287 VanDerWaalsContact CE1-NE2 3.3Å; Y227-H287 WeakPolarHBondContact CE1-NE2 3.31Å; Y227-H287 AromaticContact CZ-CE1 3.53Å; Y227-H287 AromaticContact CZ-NE2 3.46Å; Y227-H287 PolarHBondContact OH-NE2 2.85Å; I238-H287 VanDerWaalsContact CD1-CD2 3.49Å; I238-H287 WeakPolarHBondContact CD1-CD2 3.43Å; G270-H287 PolarHBondContact O-N 3.28Å; G270-H287 PolarHBondContact O-ND1 3.01Å; I285-H287 WeakPolarHBondContact CG2-O 3.38Å; H287-L296 HydrophobicContact CB-CD1 4.3Å; H287-A297 CarbonylContact C-O 3.5Å; H287-A297 VanDerWaalsContact CA-O 3.26Å; H287-A297 WeakPolarHBondContact CA-O 3.48Å
288	W	98.1	Very high	96.2	Very high	52 Å²	52	29.4 Å²	29.4	20%	0.197	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	119.3	-172.7	-51.7	-88.9	0	0	0	110.5	A286 A297 M299 L339 V370 W372	A286-W288 HydrophobicContact CB-CH2 4.35Å; A286-W288 VanDerWaalsContact O-CZ3 3.27Å; A286-W288 WeakPolarHBondContact O-CZ3 3.35Å; W288-A297 HydrophobicContact CB-CB 4.41Å; W288-A297 HydrophobicContact CE3-CB 4.24Å; W288-A297 PolarHBondContact N-O 3.45Å; W288-A297 PolarHBondContact O-N 2.82Å; W288-M299 HydrophobicContact CH2-CB 4.32Å; W288-M299 HydrophobicContact CZ3-CB 4.27Å; W288-L339 HydrophobicContact CE3-CD1 4.32Å; W288-L339 HydrophobicContact CZ3-CD1 3.77Å; W288-V370 HydrophobicContact CD2-CB 3.8Å; W288-V370 HydrophobicContact CD2-CG1 3.78Å; W288-V370 HydrophobicContact CE3-CB 3.85Å; W288-V370 HydrophobicContact CE3-CG1 3.62Å; W288-V370 HydrophobicContact CE3-CG2 4.33Å; W288-V370 HydrophobicContact CG-CG1 4.28Å; W288-V370 HydrophobicContact CH2-CB 3.91Å; W288-V370 HydrophobicContact CH2-CG2 3.8Å; W288-V370 HydrophobicContact CZ2-CB 3.87Å; W288-V370 HydrophobicContact CZ2-CG2 4.16Å; W288-V370 HydrophobicContact CZ3-CB 3.9Å; W288-V370 HydrophobicContact CZ3-CG1 4.01Å; W288-V370 HydrophobicContact CZ3-CG2 3.89Å; W288-W372 PolarHBondContact O-NE1 3.44Å
289	W	97.7	Very high	96.4	Very high	39 Å²	39	29.1 Å²	29.1	15%	0.148	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	141.8	175.9	-64.9	91.1	0	0	0	112.1	P232 Q236 I238 Y247 L296 L344 W372	P232-W289 HydrophobicContact CG-CB 3.92Å; P232-W289 HydrophobicContact CG-CG 4.47Å; Q236-W289 HydrophobicContact CG-CH2 3.92Å; Q236-W289 HydrophobicContact CG-CZ3 3.93Å; Q236-W289 VanDerWaalsContact NE2-CE3 3.27Å; I238-W289 HydrophobicContact CB-CZ2 4.17Å; I238-W289 HydrophobicContact CD1-CZ2 3.94Å; I238-W289 HydrophobicContact CG1-CZ2 3.79Å; I238-W289 HydrophobicContact CG2-CH2 3.75Å; I238-W289 HydrophobicContact CG2-CZ2 3.63Å; Y247-W289 AromaticContact CD2-CH2 3.87Å; Y247-W289 HydrophobicContact CD2-CH2 3.87Å; Y247-W289 HydrophobicContact CD2-CZ3 4.35Å; Y247-W289 AromaticContact CE2-CH2 3.74Å; Y247-W289 HydrophobicContact CE2-CH2 3.74Å; Y247-W289 AromaticContact CE2-CZ3 3.93Å; Y247-W289 HydrophobicContact CE2-CZ3 3.93Å; W289-L296 HydrophobicContact CD2-CD1 3.85Å; W289-L296 HydrophobicContact CE3-CD1 4.28Å; W289-L296 HydrophobicContact CG-CD1 4.01Å; W289-L344 HydrophobicContact CE3-CD1 3.9Å; W289-L344 HydrophobicContact CH2-CD1 4.25Å; W289-L344 HydrophobicContact CZ3-CD1 3.33Å; W289-W372 PolarHBondContact O-NE1 2.77Å; W289-W372 VanDerWaalsContact O-NE1 3.15Å
290	S	96.7	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.			trans	-64.8	152.5	166.3	61.9	0	0	0	0	110.7	P232 D292 G293 L294 R295	P232-S290 WeakPolarHBondContact CG-O 3.14Å; S290-D292 WeakPolarHBondContact CB-OD1 3.24Å; S290-D292 PolarHBondContact O-N 2.82Å; S290-D292 PolarHBondContact OG-OD1 3.23Å; S290-G293 WeakPolarHBondContact O-CA 3.49Å; S290-G293 PolarHBondContact O-N 2.87Å; S290-G293 PolarHBondContact OG-N 3.31Å; S290-L294 PolarHBondContact OG-N 3.48Å; S290-R295 PolarHBondContact N-O 2.87Å; S290-R295 PolarHBondContact OG-N 2.97Å; S290-R295 PolarHBondContact OG-O 3.11Å
291	P	94.3	Very high	96.7	Very high	68 Å²	68	28.8 Å²	28.8	44%	0.442	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.3	-177.7	-26.2	35.4	0	0	0	114.8	Q233 G293 W372	Q233-P291 PolarHBondContact NE2-O 3.15Å; P291-G293 VanDerWaalsContact C-N 3.35Å; P291-W372 HydrophobicContact CG-CB 4.33Å
292	D	94.5	Very high	96.8	Very high	38 Å²	38	30.4 Å²	30.4	20%	0.203	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-1.5	173.5	60.7	4.5	0	0	0	114.3	Q233 S290 L294 N375	Q233-D292 WeakPolarHBondContact CG-O 3.45Å; S290-D292 WeakPolarHBondContact CB-OD1 3.24Å; S290-D292 PolarHBondContact O-N 2.82Å; S290-D292 PolarHBondContact OG-OD1 3.23Å; D292-L294 HydrophobicContact CB-CD1 4.48Å; D292-L294 HydrophobicContact CB-CG 4.21Å; D292-L294 PolarHBondContact O-N 2.87Å; D292-L294 VanDerWaalsContact O-N 3.15Å; D292-L294 PolarHBondContact OD1-N 3.38Å; D292-L294 VanDerWaalsContact OD1-N 3.16Å; D292-N375 WeakPolarHBondContact CB-ND2 3.24Å; D292-N375 VanDerWaalsContact CG-ND2 3.32Å; D292-N375 VanDerWaalsContact OD2-CB 3.29Å; D292-N375 WeakPolarHBondContact OD2-CB 3.48Å; D292-N375 PolarHBondContact OD2-ND2 2.9Å
293	G	95.3	Very high	97	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	13%	0.13	C	C	.	.	S	Bend	trans	69.9	2.2	-179.8	0	0	0	0	0	115.7	Q236 S290 P291	Q236-G293 PolarHBondContact NE2-O 3.29Å; S290-G293 WeakPolarHBondContact O-CA 3.49Å; S290-G293 PolarHBondContact O-N 2.87Å; S290-G293 PolarHBondContact OG-N 3.31Å; P291-G293 VanDerWaalsContact C-N 3.35Å
294	L	95.2	Very high	97.1	Very high	79 Å²	79	27.2 Å²	27.2	41%	0.414	14%	0.14	S	C	.	.	S	Bend	trans	-81.7	-12.6	-174.9	-59.1	-177.4	0	0	0	113.9	S290 D292 L344 H345	S290-L294 PolarHBondContact OG-N 3.48Å; D292-L294 HydrophobicContact CB-CD1 4.48Å; D292-L294 HydrophobicContact CB-CG 4.21Å; D292-L294 PolarHBondContact O-N 2.87Å; D292-L294 VanDerWaalsContact O-N 3.15Å; D292-L294 PolarHBondContact OD1-N 3.38Å; D292-L294 VanDerWaalsContact OD1-N 3.16Å; L294-L344 WeakPolarHBondContact O-CB 3.38Å; L294-L344 PolarHBondContact O-N 2.84Å; L294-H345 HydrophobicContact CD2-CB 4.2Å
295	R	96.3	Very high	97.2	Very high	51 Å²	51	32.3 Å²	32.3	19%	0.192	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.8	-179	-57.9	174.2	-174.5	-92.9	-13.3	110.8	S290 V341 V342 W372 T397	S290-R295 PolarHBondContact N-O 2.87Å; S290-R295 PolarHBondContact OG-N 2.97Å; S290-R295 PolarHBondContact OG-O 3.11Å; R295-V341 HydrophobicContact CB-CG1 4.07Å; R295-V342 WeakPolarHBondContact CA-O 3.31Å; R295-W372 HydrophobicContact CB-CH2 3.59Å; R295-W372 HydrophobicContact CB-CZ2 4.04Å; R295-W372 HydrophobicContact CG-CH2 4.37Å; R295-T397 PolarHBondContact NH1-OG1 3.44Å
296	L	97.7	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.9	171.2	-175.4	68.7	0	0	0	109.3	I238 I245 L258 H287 W289 V341 V342 L344	I238-L296 HydrophobicContact CD1-CD1 4.14Å; I238-L296 HydrophobicContact CD1-CD2 4.03Å; I238-L296 HydrophobicContact CG2-CD2 4.18Å; I245-L296 HydrophobicContact CG2-CD2 4.11Å; L258-L296 HydrophobicContact CD1-CD2 3.97Å; H287-L296 HydrophobicContact CB-CD1 4.3Å; W289-L296 HydrophobicContact CD2-CD1 3.85Å; W289-L296 HydrophobicContact CE3-CD1 4.28Å; W289-L296 HydrophobicContact CG-CD1 4.01Å; L296-V341 WeakPolarHBondContact O-CA 3.32Å; L296-V342 HydrophobicContact CB-CG1 4Å; L296-V342 PolarHBondContact N-O 2.83Å; L296-V342 PolarHBondContact O-N 3.33Å; L296-L344 HydrophobicContact CB-CD1 4.12Å; L296-L344 HydrophobicContact CB-CD2 4.36Å; L296-L344 HydrophobicContact CB-CG 4.39Å
297	A	98.4	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	137	164.1	0	0	0	0	0	108.5	H287 W288 S340 V341 W372 L378	H287-A297 CarbonylContact C-O 3.5Å; H287-A297 VanDerWaalsContact CA-O 3.26Å; H287-A297 WeakPolarHBondContact CA-O 3.48Å; W288-A297 HydrophobicContact CB-CB 4.41Å; W288-A297 HydrophobicContact CE3-CB 4.24Å; W288-A297 PolarHBondContact N-O 3.45Å; W288-A297 PolarHBondContact O-N 2.82Å; A297-S340 CarbonylContact C-O 3.54Å; A297-S340 WeakPolarHBondContact CA-O 3.13Å; A297-V341 HydrophobicContact CB-CG2 3.89Å; A297-W372 HydrophobicContact CB-CZ2 3.86Å; A297-L378 HydrophobicContact CB-CD1 4.23Å; A297-L378 HydrophobicContact CB-CD2 3.85Å
298	Y	98.4	Very high	97.1	Very high	13 Å²	13	38 Å²	38	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	145	173.9	69.4	-86.2	0	0	0	110.2	I245 V259 N269 A286 S340 V342 T350	I245-Y298 HydrophobicContact CD1-CD1 4.12Å; I245-Y298 HydrophobicContact CD1-CD2 3.79Å; I245-Y298 HydrophobicContact CD1-CG 3.57Å; V259-Y298 HydrophobicContact CG1-CE2 4.42Å; V259-Y298 HydrophobicContact CG2-CD2 4.46Å; V259-Y298 HydrophobicContact CG2-CE1 3.89Å; V259-Y298 HydrophobicContact CG2-CE2 3.73Å; V259-Y298 VanDerWaalsContact CG2-CZ 3.4Å; V259-Y298 WeakPolarHBondContact CG2-OH 3.4Å; N269-Y298 HydrophobicContact CB-CD2 4.29Å; N269-Y298 HydrophobicContact CB-CE2 4.41Å; A286-Y298 WeakPolarHBondContact O-CA 3.18Å; Y298-S340 PolarHBondContact N-O 3.42Å; Y298-S340 PolarHBondContact O-N 3.05Å; Y298-V342 HydrophobicContact CD1-CG1 4.37Å; Y298-V342 HydrophobicContact CE1-CB 4.43Å; Y298-V342 HydrophobicContact CE1-CG1 4.17Å; Y298-T350 HydrophobicContact CE1-CG2 4.35Å
299	M	98.3	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.2	171.4	-168	164.8	52.4	0	0	109.7	G270 Y276 L281 A286 W288 I301 V337 H338 I367	G270-M299 PolarHBondContact N-O 2.85Å; Y276-M299 HydrophobicContact CD1-CE 3.61Å; Y276-M299 HydrophobicContact CD1-SD 4.35Å; Y276-M299 HydrophobicContact CE1-CE 3.83Å; Y276-M299 HydrophobicContact CE1-SD 3.94Å; Y276-M299 HydrophobicContact CG-CE 4.32Å; L281-M299 HydrophobicContact CD1-CE 3.65Å; A286-M299 HydrophobicContact CB-CB 4.11Å; A286-M299 HydrophobicContact CB-CE 3.84Å; A286-M299 PolarHBondContact O-N 3.06Å; W288-M299 HydrophobicContact CH2-CB 4.32Å; W288-M299 HydrophobicContact CZ3-CB 4.27Å; M299-I301 HydrophobicContact CE-CD1 3.78Å; M299-I301 HydrophobicContact CE-CG1 3.99Å; M299-I301 HydrophobicContact CG-CG1 4.14Å; M299-I301 HydrophobicContact SD-CG1 4.44Å; M299-V337 HydrophobicContact CG-CB 4.24Å; M299-V337 HydrophobicContact SD-CB 4.03Å; M299-V337 HydrophobicContact SD-CG1 4.13Å; M299-H338 CarbonylContact C-O 3.58Å; M299-H338 WeakPolarHBondContact CA-O 3.43Å; M299-I367 HydrophobicContact SD-CB 4.11Å; M299-I367 HydrophobicContact SD-CD1 4.34Å
300	T	98.3	Very high	96.7	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.123	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.3	162.7	-62.1	0	0	0	0	107.5	I267 F268 N269 V337 H338	I267-T300 HydrophobicContact CG2-CG2 3.95Å; F268-T300 CarbonylContact O-C 3.58Å; F268-T300 VanDerWaalsContact O-CA 3.29Å; F268-T300 WeakPolarHBondContact O-CA 3.42Å; N269-T300 WeakPolarHBondContact OD1-CB 3.41Å; N269-T300 WeakPolarHBondContact OD1-CG2 3.37Å; N269-T300 PolarHBondContact OD1-OG1 2.77Å; T300-V337 WeakPolarHBondContact O-CA 3.31Å; T300-H338 PolarHBondContact N-O 3.27Å; T300-H338 PolarHBondContact O-N 2.99Å
301	I	98.4	Very high	96.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.6	172.8	-51.1	-173.6	0	0	0	108	I267 F268 D273 Y276 M299 P335 V337	I267-I301 CarbonylContact C-O 3.6Å; I267-I301 WeakPolarHBondContact CA-O 3.4Å; F268-I301 HydrophobicContact CB-CB 4.39Å; F268-I301 PolarHBondContact N-O 2.85Å; F268-I301 PolarHBondContact O-N 3.13Å; D273-I301 HydrophobicContact CB-CG2 4.18Å; D273-I301 WeakPolarHBondContact OD1-CD1 3.46Å; Y276-I301 HydrophobicContact CD1-CD1 4.35Å; Y276-I301 HydrophobicContact CD2-CD1 3.86Å; Y276-I301 HydrophobicContact CG-CD1 3.75Å; M299-I301 HydrophobicContact CE-CD1 3.78Å; M299-I301 HydrophobicContact CE-CG1 3.99Å; M299-I301 HydrophobicContact CG-CG1 4.14Å; M299-I301 HydrophobicContact SD-CG1 4.44Å; I301-P335 HydrophobicContact CG2-CB 3.52Å; I301-V337 HydrophobicContact CB-CG1 4.31Å; I301-V337 HydrophobicContact CG1-CG1 3.94Å; I301-V337 HydrophobicContact CG2-CG1 4.11Å
302	N	98.1	Very high	95.9	Very high	52 Å²	52	40.6 Å²	40.6	28%	0.278	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	109.7	-178.7	-179.5	7.3	0	0	0	110.9	T304 V336	N302-T304 WeakPolarHBondContact OD1-CB 3.41Å; N302-T304 PolarHBondContact OD1-N 2.8Å; N302-T304 VanDerWaalsContact OD1-N 3.08Å; N302-T304 PolarHBondContact OD1-OG1 3.34Å; N302-V336 PolarHBondContact N-O 2.84Å; N302-V336 PolarHBondContact O-N 2.83Å; N302-V336 VanDerWaalsContact O-N 3.12Å
303	D	98	Very high	95.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.011	21%	0.208	C	C	.	.			trans	-95.9	10.5	-178.9	-64.5	-44.2	0	0	0	113.6	V266 F268 D273 L305 V306 H326 P335	V266-D303 PolarHBondContact O-N 3Å; F268-D303 VanDerWaalsContact CE2-OD2 3.27Å; F268-D303 WeakPolarHBondContact CE2-OD2 3.27Å; D273-D303 VanDerWaalsContact CB-OD2 3.3Å; D273-D303 WeakPolarHBondContact CB-OD2 3.41Å; D303-L305 PolarHBondContact O-N 3.38Å; D303-V306 HydrophobicContact CB-CB 4.16Å; D303-V306 HydrophobicContact CB-CG2 4.1Å; D303-V306 WeakPolarHBondContact O-CB 3.37Å; D303-V306 PolarHBondContact O-N 2.03Å; D303-H326 HydrophobicContact CB-CB 3.66Å; D303-H326 PolarHBondContact O-CD2 3.12Å; D303-P335 WeakPolarHBondContact OD1-CB 3.29Å
304	T	97.4	Very high	95	Very high	80 Å²	80	45.9 Å²	45.9	49%	0.491	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.6	-173.2	-61.6	0	0	0	0	114.5	V266 N302	V266-T304 WeakPolarHBondContact CG1-OG1 3.16Å; N302-T304 WeakPolarHBondContact OD1-CB 3.41Å; N302-T304 PolarHBondContact OD1-N 2.8Å; N302-T304 VanDerWaalsContact OD1-N 3.08Å; N302-T304 PolarHBondContact OD1-OG1 3.34Å
305	L	97.5	Very high	94.4	Very high	126 Å²	126	45 Å²	45	66%	0.66	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-6.8	177.7	-59.9	-179.5	0	0	0	114	D303 E333	D303-L305 PolarHBondContact O-N 3.38Å; L305-E333 HydrophobicContact CB-CB 4.49Å
306	V	98	Very high	93.8	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.055	26%	0.258	C	S	.	.	S	Bend	trans	-74.9	138.9	-177.7	-179.8	0	0	0	0	108.8	D303 H326 P328	D303-V306 HydrophobicContact CB-CB 4.16Å; D303-V306 HydrophobicContact CB-CG2 4.1Å; D303-V306 WeakPolarHBondContact O-CB 3.37Å; D303-V306 PolarHBondContact O-N 2.03Å; V306-H326 HydrophobicContact CB-CB 4.09Å; V306-H326 HydrophobicContact CG1-CB 3.91Å; V306-H326 PolarHBondContact O-CD2 3.09Å; V306-P328 HydrophobicContact CG1-CB 3.97Å; V306-P328 HydrophobicContact CG1-CG 4.18Å
307	P	97.4	Very high	93.2	Very high	46 Å²	46	50.6 Å²	50.6	30%	0.299	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-62.6	148.8	173.6	-25.5	36.3	0	0	0	112.6	H326 Y327 E332	P307-H326 WeakPolarHBondContact O-CA 3.41Å; P307-Y327 PolarHBondContact O-N 3.44Å; P307-E332 HydrophobicContact CG-CB 3.9Å; P307-E332 HydrophobicContact CG-CG 4.03Å
308	K	95.5	Very high	92.8	Very high	123 Å²	123	56.7 Å²	56.7	54%	0.535	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	142.2	173.4	-69.9	-179.8	168.8	-163.6	0	111.5	D324 Y325 H326	K308-D324 HydrophobicContact CD-CB 4.28Å; K308-Y325 CarbonylContact C-O 3.59Å; K308-Y325 VanDerWaalsContact CA-O 3.3Å; K308-Y325 WeakPolarHBondContact CA-O 3.42Å; K308-H326 WeakPolarHBondContact CE-NE2 3.03Å
309	M	94.7	Very high	92.3	Very high	34 Å²	34	66.3 Å²	66.3	17%	0.167	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133	162.6	-175.3	67.1	-169.9	0	0	109.3	D324 Y325 K329 H774 Q776	M309-D324 WeakPolarHBondContact O-CA 3.31Å; M309-Y325 HydrophobicContact CB-CE1 4.07Å; M309-Y325 HydrophobicContact CG-CE1 4.36Å; M309-Y325 PolarHBondContact N-O 3.02Å; M309-Y325 PolarHBondContact O-N 2.89Å; M309-Y325 VanDerWaalsContact O-N 3.12Å; M309-K329 PolarHBondContact SD-NZ 2.77Å; M309-H774 HydrophobicContact CE-CB 3.98Å; M309-Q776 HydrophobicContact CE-CB 4.48Å
310	E	92.8	Very high	91.7	Very high	115 Å²	115	68.8 Å²	68.8	54%	0.537	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.2	173.3	-176.8	177.8	-166.2	0	0	109.7	S322	E310-S322 VanDerWaalsContact CG-CB 3.48Å; E310-S322 WeakPolarHBondContact OE1-CB 3.46Å; E310-S322 PolarHBondContact OE1-OG 2.76Å
311	V	88.8	Confident	91.1	Very high	8 Å²	8	70.1 Å²	70.1	5%	0.048	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.9	174.9	174.5	0	0	0	0	109.2	S322 Q323 Y325 A769	V311-S322 CarbonylContact O-C 3.55Å; V311-S322 VanDerWaalsContact O-CA 3.26Å; V311-S322 WeakPolarHBondContact O-CA 3.49Å; V311-S322 WeakPolarHBondContact O-CB 3Å; V311-Q323 PolarHBondContact N-O 2.97Å; V311-Q323 PolarHBondContact O-N 2.91Å; V311-Y325 HydrophobicContact CG2-CD1 4.37Å; V311-Y325 HydrophobicContact CG2-CE1 3.68Å; V311-A769 HydrophobicContact CG1-CB 3.98Å
312	P	86	Confident	90.6	Very high	55 Å²	55	72.7 Å²	72.7	36%	0.357	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.3	-178.3	30.7	-33.6	0	0	0	111.5	F314	P312-F314 HydrophobicContact CB-CE2 3.91Å; P312-F314 HydrophobicContact CB-CZ 3.81Å; P312-F314 HydrophobicContact CG-CE2 3.86Å; P312-F314 HydrophobicContact CG-CZ 3.94Å
313	Y	84.8	Confident	90	Very high	35 Å²	35	73.9 Å²	73.9	14%	0.137	42%	0.418	C	S	.	.			trans	-93.1	149.4	163.5	-56.8	-58.4	0	0	0	111	P320 G321 Q323 A769 Y800	Y313-P320 WeakPolarHBondContact O-CB 3.48Å; Y313-P320 WeakPolarHBondContact O-CG 3.44Å; Y313-G321 WeakPolarHBondContact CB-O 3.29Å; Y313-G321 WeakPolarHBondContact CD2-O 3.4Å; Y313-G321 PolarHBondContact N-O 3.06Å; Y313-Q323 HydrophobicContact CE2-CB 3.77Å; Y313-Q323 PolarHBondContact OH-OE1 3.38Å; Y313-A769 HydrophobicContact CD1-CB 4.25Å; Y313-A769 HydrophobicContact CE1-CB 3.95Å; Y313-Y800 HydrophobicContact CD1-CD2 4.27Å; Y313-Y800 HydrophobicContact CD1-CE2 4.27Å; Y313-Y800 HydrophobicContact CD2-CE2 4.11Å; Y313-Y800 HydrophobicContact CE1-CD2 4.41Å; Y313-Y800 HydrophobicContact CE1-CE2 4.37Å; Y313-Y800 HydrophobicContact CE2-CE2 4.18Å; Y313-Y800 HydrophobicContact CG-CE2 4.12Å
314	F	84.8	Confident	89.7	Confident	115 Å²	115	77.9 Å²	77.9	50%	0.504	44%	0.439	S	S	.	.			trans	-123.8	-0.7	179	-59.8	-80.8	0	0	0	112.5	P312 T768 F798	P312-F314 HydrophobicContact CB-CE2 3.91Å; P312-F314 HydrophobicContact CB-CZ 3.81Å; P312-F314 HydrophobicContact CG-CE2 3.86Å; P312-F314 HydrophobicContact CG-CZ 3.94Å; F314-T768 HydrophobicContact CD2-CG2 4.05Å; F314-T768 HydrophobicContact CE2-CG2 3.91Å; F314-F798 HydrophobicContact CB-CB 4.46Å; F314-F798 HydrophobicContact CB-CD1 3.95Å; F314-F798 AromaticContact CD2-CD1 3.71Å; F314-F798 HydrophobicContact CD2-CD1 3.71Å; F314-F798 HydrophobicContact CD2-CE1 4.2Å; F314-F798 HydrophobicContact CG-CD1 4Å; F314-F798 HydrophobicContact CG-CE1 4.46Å
315	T	83.3	Confident	89.5	Confident	61 Å²	61	74.6 Å²	74.6	37%	0.374	42%	0.418	S	S	.	.	S	Bend	trans	-130.2	155.9	-174.8	49.9	0	0	0	0	110.8	F798	T315-F798 HydrophobicContact CG2-CB 3.98Å; T315-F798 WeakPolarHBondContact CG2-O 3.26Å; T315-F798 PolarHBondContact OG1-O 2.96Å
316	G	82.4	Confident	89.5	Confident	77 Å²	77	69.5 Å²	69.5	79%	0.794	39%	0.39	S	S	*	.	S	Bend	trans	109.8	-106.3	-174.3	0	0	0	0	0	112.1
317	T	86.2	Confident	89.5	Confident	91 Å²	91	69.2 Å²	69.2	56%	0.558	39%	0.389	S	S	*	.	S	Bend	trans	-81.2	157.7	-177.2	43.5	0	0	0	0	112.9	Y319 P320	T317-Y319 CarbonylContact O-C 3.57Å; T317-Y319 PolarHBondContact O-N 2.84Å; T317-Y319 PolarHBondContact OG1-O 3.32Å; T317-P320 WeakPolarHBondContact O-CD 3.48Å
318	P	89.6	Confident	89.4	Confident	128 Å²	128	67 Å²	67	83%	0.831	37%	0.374	S	S	*	.	S	Bend	trans	-59.2	-27.7	176	-25.7	35.2	0	0	0	114.2
319	Y	88.4	Confident	89.5	Confident	215 Å²	215	62.8 Å²	62.8	84%	0.843	36%	0.356	S	S	*	.	S	Bend	trans	-112.6	92	163.7	-61.8	-84	0	0	0	106.4	T317	T317-Y319 CarbonylContact O-C 3.57Å; T317-Y319 PolarHBondContact O-N 2.84Å; T317-Y319 PolarHBondContact OG1-O 3.32Å
320	P	85.9	Confident	89.5	Confident	52 Å²	52	61.3 Å²	61.3	34%	0.338	35%	0.349	S	S	.	.			trans	-71.5	138.1	174.9	31.3	-33.6	0	0	0	108.8	Y313 T317	Y313-P320 WeakPolarHBondContact O-CB 3.48Å; Y313-P320 WeakPolarHBondContact O-CG 3.44Å; T317-P320 WeakPolarHBondContact O-CD 3.48Å
321	G	85.8	Confident	89.4	Confident	48 Å²	48	57.9 Å²	57.9	50%	0.495	34%	0.344	S	S	.	.			trans	-84.8	178.6	174.7	0	0	0	0	0	112.4	Y313	Y313-G321 WeakPolarHBondContact CB-O 3.29Å; Y313-G321 WeakPolarHBondContact CD2-O 3.4Å; Y313-G321 PolarHBondContact N-O 3.06Å
322	S	86.9	Confident	89.7	Confident	54 Å²	54	61.9 Å²	61.9	38%	0.378	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	158.9	163.8	44.1	0	0	0	0	110.9	E310 V311	E310-S322 VanDerWaalsContact CG-CB 3.48Å; E310-S322 WeakPolarHBondContact OE1-CB 3.46Å; E310-S322 PolarHBondContact OE1-OG 2.76Å; V311-S322 CarbonylContact O-C 3.55Å; V311-S322 VanDerWaalsContact O-CA 3.26Å; V311-S322 WeakPolarHBondContact O-CA 3.49Å; V311-S322 WeakPolarHBondContact O-CB 3Å
323	Q	86.7	Confident	90.2	Very high	78 Å²	78	64.3 Å²	64.3	36%	0.364	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.5	166.9	-177.3	178.1	28.2	0	0	109.5	V311 Y313	V311-Q323 PolarHBondContact N-O 2.97Å; V311-Q323 PolarHBondContact O-N 2.91Å; Y313-Q323 HydrophobicContact CE2-CB 3.77Å; Y313-Q323 PolarHBondContact OH-OE1 3.38Å
324	D	91.5	Very high	90.8	Very high	85 Å²	85	63.3 Å²	63.3	46%	0.455	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	136.1	169.4	-76.2	-4.5	0	0	0	110.7	K308 M309	K308-D324 HydrophobicContact CD-CB 4.28Å; M309-D324 WeakPolarHBondContact O-CA 3.31Å
325	Y	93.4	Very high	91.4	Very high	12 Å²	12	58.1 Å²	58.1	5%	0.047	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.6	168.5	72.2	-67.8	0	0	0	110.8	Y194 W274 K308 M309 V311 Y327 E771 H774	Y194-Y325 HydrophobicContact CE1-CD2 4.34Å; Y194-Y325 HydrophobicContact CE1-CE2 4.47Å; Y194-Y325 WeakPolarHBondContact OH-CD2 3.28Å; W274-Y325 HydrophobicContact CB-CD2 4.04Å; W274-Y325 HydrophobicContact CB-CE2 4Å; W274-Y325 AromaticContact CD1-CE2 3.63Å; W274-Y325 HydrophobicContact CD2-CE2 4.22Å; W274-Y325 HydrophobicContact CG-CD2 4.18Å; W274-Y325 AromaticContact CG-CE2 3.64Å; W274-Y325 HydrophobicContact CG-CE2 3.64Å; K308-Y325 CarbonylContact C-O 3.59Å; K308-Y325 VanDerWaalsContact CA-O 3.3Å; K308-Y325 WeakPolarHBondContact CA-O 3.42Å; M309-Y325 HydrophobicContact CB-CE1 4.07Å; M309-Y325 HydrophobicContact CG-CE1 4.36Å; M309-Y325 PolarHBondContact N-O 3.02Å; M309-Y325 PolarHBondContact O-N 2.89Å; M309-Y325 VanDerWaalsContact O-N 3.12Å; V311-Y325 HydrophobicContact CG2-CD1 4.37Å; V311-Y325 HydrophobicContact CG2-CE1 3.68Å; Y325-Y327 AromaticContact CE2-CD2 3.87Å; Y325-Y327 HydrophobicContact CE2-CD2 3.87Å; Y325-E771 WeakPolarHBondContact OH-CA 3.43Å; Y325-E771 PolarHBondContact OH-O 2.86Å; Y325-H774 AromaticContact CZ-NE2 3.9Å; Y325-H774 PolarHBondContact OH-NE2 3.36Å
326	H	96.6	Very high	92.1	Very high	18 Å²	18	58.5 Å²	58.5	8%	0.083	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.1	-179.5	-58.3	90.9	0	0	0	110	G265 D303 V306 P307 K308	G265-H326 PolarHBondContact O-CE1 2.89Å; G265-H326 PolarHBondContact O-ND1 2.85Å; D303-H326 HydrophobicContact CB-CB 3.66Å; D303-H326 PolarHBondContact O-CD2 3.12Å; V306-H326 HydrophobicContact CB-CB 4.09Å; V306-H326 HydrophobicContact CG1-CB 3.91Å; V306-H326 PolarHBondContact O-CD2 3.09Å; P307-H326 WeakPolarHBondContact O-CA 3.41Å; K308-H326 WeakPolarHBondContact CE-NE2 3.03Å
327	Y	97.3	Very high	92.8	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.016	31%	0.309	C	S	.	.			trans	-147.1	108.5	-177.9	-174.9	-74.3	0	0	0	109.2	W274 P307 Y325 K329 A728 K772 H774	W274-Y327 AromaticContact CD2-CD2 3.71Å; W274-Y327 HydrophobicContact CD2-CD2 3.71Å; W274-Y327 AromaticContact CD2-CE2 3.91Å; W274-Y327 HydrophobicContact CD2-CE2 3.91Å; W274-Y327 AromaticContact CE2-CD2 3.98Å; W274-Y327 AromaticContact CE2-CE2 3.76Å; W274-Y327 AromaticContact CE3-CD2 3.51Å; W274-Y327 HydrophobicContact CE3-CD2 3.51Å; W274-Y327 AromaticContact CE3-CE2 3.67Å; W274-Y327 HydrophobicContact CE3-CE2 3.67Å; W274-Y327 HydrophobicContact CE3-CG 4.35Å; W274-Y327 HydrophobicContact CH2-CD2 4.07Å; W274-Y327 AromaticContact CH2-CE2 3.31Å; W274-Y327 HydrophobicContact CH2-CE2 3.31Å; W274-Y327 AromaticContact CH2-CZ 3.86Å; W274-Y327 HydrophobicContact CZ2-CD2 4.18Å; W274-Y327 AromaticContact CZ2-CE2 3.5Å; W274-Y327 HydrophobicContact CZ2-CE2 3.5Å; W274-Y327 VanDerWaalsContact CZ2-CE2 3.5Å; W274-Y327 AromaticContact CZ3-CD2 3.71Å; W274-Y327 HydrophobicContact CZ3-CD2 3.71Å; W274-Y327 AromaticContact CZ3-CE2 3.37Å; W274-Y327 HydrophobicContact CZ3-CE2 3.37Å; W274-Y327 AromaticContact CZ3-CZ 3.95Å; P307-Y327 PolarHBondContact O-N 3.44Å; Y325-Y327 AromaticContact CE2-CD2 3.87Å; Y325-Y327 HydrophobicContact CE2-CD2 3.87Å; Y327-K329 HydrophobicContact CD1-CG 3.8Å; Y327-K329 HydrophobicContact CE1-CG 3.71Å; Y327-K329 PolarHBondContact O-N 2.85Å; Y327-A728 HydrophobicContact CE1-CB 4.39Å; Y327-A728 PolarHBondContact OH-N 3.27Å; Y327-A728 VanDerWaalsContact OH-N 3.12Å; Y327-K772 PolarHBondContact OH-O 2.95Å; Y327-H774 AromaticContact CD1-CE1 3.57Å; Y327-H774 AromaticContact CD2-CE1 3.54Å; Y327-H774 AromaticContact CD2-NE2 3.48Å; Y327-H774 WeakPolarHBondContact CD2-NE2 3.4Å; Y327-H774 AromaticContact CE1-CE1 3.5Å; Y327-H774 VanDerWaalsContact CE1-CE1 3.5Å; Y327-H774 WeakPolarHBondContact CE1-CE1 3.14Å; Y327-H774 AromaticContact CE2-CE1 3.45Å; Y327-H774 VanDerWaalsContact CE2-CE1 3.45Å; Y327-H774 WeakPolarHBondContact CE2-CE1 3.32Å; Y327-H774 AromaticContact CE2-NE2 3.42Å; Y327-H774 WeakPolarHBondContact CE2-NE2 3.37Å; Y327-H774 AromaticContact CG-CE1 3.59Å; Y327-H774 AromaticContact CG-NE2 3.94Å; Y327-H774 AromaticContact CZ-CE1 3.43Å; Y327-H774 VanDerWaalsContact CZ-CE1 3.43Å; Y327-H774 AromaticContact CZ-NE2 3.86Å
328	P	97.1	Very high	93.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.302	C	S	.	.			trans	-80.8	112.1	177.3	28.8	-28.3	0	0	0	110.9	L275 V306 E333 N334 S729	L275-P328 HydrophobicContact CB-CG 4.31Å; L275-P328 HydrophobicContact CD1-CG 4.03Å; L275-P328 HydrophobicContact CD2-CG 3.81Å; L275-P328 HydrophobicContact CG-CG 4.26Å; V306-P328 HydrophobicContact CG1-CB 3.97Å; V306-P328 HydrophobicContact CG1-CG 4.18Å; P328-E333 WeakPolarHBondContact CB-O 3.41Å; P328-N334 VanDerWaalsContact CB-OD1 3.31Å; P328-N334 WeakPolarHBondContact CB-OD1 3.47Å; P328-S729 PolarHBondContact O-N 3.48Å
329	K	96.4	Very high	93.7	Very high	34 Å²	34	48.8 Å²	48.8	15%	0.148	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-76.2	165.1	167	-71.6	174.8	-179.5	171.9	0	110	M309 Y327 G331 E332 L726 H774	M309-K329 PolarHBondContact SD-NZ 2.77Å; Y327-K329 HydrophobicContact CD1-CG 3.8Å; Y327-K329 HydrophobicContact CE1-CG 3.71Å; Y327-K329 PolarHBondContact O-N 2.85Å; K329-G331 PolarHBondContact O-N 3.12Å; K329-E332 HydrophobicContact CB-CG 4.2Å; K329-E332 WeakPolarHBondContact O-CB 3.46Å; K329-E332 WeakPolarHBondContact O-CG 3.4Å; K329-E332 PolarHBondContact O-N 2.59Å; K329-E332 VanDerWaalsContact O-N 3.1Å; K329-L726 WeakPolarHBondContact CE-O 3.22Å; K329-H774 WeakPolarHBondContact CE-ND1 3.38Å; K329-H774 PolarHBondContact NZ-ND1 2.88Å
330	V	94.3	Very high	94.1	Very high	2 Å²	2	39 Å²	39	1%	0.012	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	131	-176.8	70.2	0	0	0	0	112.6	E332 E725 Y727 E733 K739 Y745	V330-E332 VanDerWaalsContact C-N 3.28Å; V330-E332 PolarHBondContact O-N 3.36Å; V330-E725 HydrophobicContact CG1-CB 4.31Å; V330-E725 HydrophobicContact CG1-CG 4.46Å; V330-Y727 PolarHBondContact N-O 2.92Å; V330-E733 HydrophobicContact CG2-CG 3.45Å; V330-E733 VanDerWaalsContact CG2-CG 3.45Å; V330-K739 HydrophobicContact CG1-CD 4.11Å; V330-K739 HydrophobicContact CG1-CG 4.32Å; V330-K739 HydrophobicContact CG2-CB 4.39Å; V330-Y745 HydrophobicContact CB-CE1 4.3Å; V330-Y745 HydrophobicContact CG1-CD1 4.43Å; V330-Y745 HydrophobicContact CG1-CE1 3.9Å; V330-Y745 HydrophobicContact CG2-CE1 3.87Å; V330-Y745 WeakPolarHBondContact CG2-OH 3.47Å
331	G	91.6	Very high	94.7	Very high	43 Å²	43	36.6 Å²	36.6	44%	0.443	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-6.8	-179	0	0	0	0	0	115.8	K329 E733	K329-G331 PolarHBondContact O-N 3.12Å; G331-E733 PolarHBondContact N-OE1 3.48Å
332	E	95.4	Very high	95.2	Very high	92 Å²	92	34.3 Å²	34.3	43%	0.43	19%	0.186	S	C	.	.	S	Bend	trans	-79.1	173.1	174.6	-59.4	-60.6	150.2	0	0	112.1	P307 K329 V330 R385	P307-E332 HydrophobicContact CG-CB 3.9Å; P307-E332 HydrophobicContact CG-CG 4.03Å; K329-E332 HydrophobicContact CB-CG 4.2Å; K329-E332 WeakPolarHBondContact O-CB 3.46Å; K329-E332 WeakPolarHBondContact O-CG 3.4Å; K329-E332 PolarHBondContact O-N 2.59Å; K329-E332 VanDerWaalsContact O-N 3.1Å; V330-E332 VanDerWaalsContact C-N 3.28Å; V330-E332 PolarHBondContact O-N 3.36Å; E332-R385 VanDerWaalsContact O-CZ 3.3Å; E332-R385 PolarHBondContact O-NH1 3.03Å; E332-R385 PolarHBondContact O-NH2 3.29Å
333	E	96.3	Very high	95.6	Very high	106 Å²	106	33.1 Å²	33.1	50%	0.495	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-66.8	137.6	172.5	-71.3	-68.5	170.8	0	0	111.5	L305 P328	L305-E333 HydrophobicContact CB-CB 4.49Å; P328-E333 WeakPolarHBondContact CB-O 3.41Å
334	N	97.3	Very high	95.9	Very high	14 Å²	14	30.3 Å²	30.3	8%	0.075	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-103.1	159.3	-178.5	-86.1	-24.5	0	0	0	112.4	P328 V336 Y366 S729	P328-N334 VanDerWaalsContact CB-OD1 3.31Å; P328-N334 WeakPolarHBondContact CB-OD1 3.47Å; N334-V336 PolarHBondContact O-N 3.19Å; N334-Y366 PolarHBondContact ND2-OH 2.88Å; N334-S729 WeakPolarHBondContact OD1-CB 3.44Å; N334-S729 PolarHBondContact OD1-OG 3.15Å
335	P	97.6	Very high	95.6	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.039	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-48.8	127.6	170.9	8	-23	0	0	0	113.2	L275 Y276 I301 D303	L275-P335 HydrophobicContact CB-CG 4.34Å; L275-P335 HydrophobicContact CD2-CG 3.71Å; Y276-P335 HydrophobicContact CD2-CG 4.14Å; Y276-P335 HydrophobicContact CE2-CB 4.25Å; Y276-P335 HydrophobicContact CE2-CG 3.95Å; I301-P335 HydrophobicContact CG2-CB 3.52Å; D303-P335 WeakPolarHBondContact OD1-CB 3.29Å
336	V	97.4	Very high	95.1	Very high	69 Å²	69	34.5 Å²	34.5	42%	0.418	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.9	169.8	179.4	0	0	0	0	108.6	N302 N334	N302-V336 PolarHBondContact N-O 2.84Å; N302-V336 PolarHBondContact O-N 2.83Å; N302-V336 VanDerWaalsContact O-N 3.12Å; N334-V336 PolarHBondContact O-N 3.19Å
337	V	97.1	Very high	94.5	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.1	-177.1	-60.5	0	0	0	0	114.2	Y276 M299 T300 I301 Y365 I367	Y276-V337 HydrophobicContact CD2-CG1 4.45Å; Y276-V337 HydrophobicContact CE1-CG1 4.29Å; Y276-V337 HydrophobicContact CE2-CG1 3.56Å; Y276-V337 VanDerWaalsContact CZ-CG1 3.46Å; Y276-V337 VanDerWaalsContact OH-CG1 3.26Å; Y276-V337 WeakPolarHBondContact OH-CG1 3.46Å; Y276-V337 VanDerWaalsContact OH-CG2 3.24Å; Y276-V337 WeakPolarHBondContact OH-CG2 3.05Å; M299-V337 HydrophobicContact CG-CB 4.24Å; M299-V337 HydrophobicContact SD-CB 4.03Å; M299-V337 HydrophobicContact SD-CG1 4.13Å; T300-V337 WeakPolarHBondContact O-CA 3.31Å; I301-V337 HydrophobicContact CB-CG1 4.31Å; I301-V337 HydrophobicContact CG1-CG1 3.94Å; I301-V337 HydrophobicContact CG2-CG1 4.11Å; V337-Y365 HydrophobicContact CG2-CD2 4.41Å; V337-Y365 HydrophobicContact CG2-CE2 3.95Å; V337-Y365 PolarHBondContact O-OH 3.12Å; V337-I367 HydrophobicContact CG2-CD1 3.98Å; V337-I367 HydrophobicContact CG2-CG1 3.95Å
338	H	95.8	Very high	94	Very high	90 Å²	90	43.2 Å²	43.2	42%	0.417	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	136.1	173.5	-58.9	-39.6	0	0	0	110.1	M299 T300	M299-H338 CarbonylContact C-O 3.58Å; M299-H338 WeakPolarHBondContact CA-O 3.43Å; T300-H338 PolarHBondContact N-O 3.27Å; T300-H338 PolarHBondContact O-N 2.99Å
339	L	98.1	Very high	93.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122	175.3	-178.1	64.6	0	0	0	109.7	W288 M353 I367 V370 L378 V380	W288-L339 HydrophobicContact CE3-CD1 4.32Å; W288-L339 HydrophobicContact CZ3-CD1 3.77Å; L339-M353 HydrophobicContact CB-CB 4.33Å; L339-M353 HydrophobicContact CD2-CB 4.29Å; L339-M353 HydrophobicContact CD2-CG 4.13Å; L339-M353 HydrophobicContact CG-CB 4.37Å; L339-M353 HydrophobicContact CG-CG 4.1Å; L339-M353 PolarHBondContact O-N 3.21Å; L339-I367 HydrophobicContact CB-CD1 3.92Å; L339-V370 HydrophobicContact CD1-CG1 4.34Å; L339-V370 HydrophobicContact CD1-CG2 4.17Å; L339-V370 HydrophobicContact CD2-CG1 4.18Å; L339-V370 HydrophobicContact CD2-CG2 3.9Å; L339-L378 HydrophobicContact CD2-CD2 3.83Å; L339-L378 HydrophobicContact CG-CD2 4.37Å; L339-V380 HydrophobicContact CD2-CB 4.3Å; L339-V380 HydrophobicContact CD2-CG1 3.86Å; L339-V380 HydrophobicContact CD2-CG2 3.41Å; L339-V380 VanDerWaalsContact CD2-CG2 3.41Å
340	S	97.8	Very high	93.7	Very high	8 Å²	8	50.2 Å²	50.2	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.4	-178.4	-61.8	0	0	0	0	110.8	A297 Y298 V351	A297-S340 CarbonylContact C-O 3.54Å; A297-S340 WeakPolarHBondContact CA-O 3.13Å; Y298-S340 PolarHBondContact N-O 3.42Å; Y298-S340 PolarHBondContact O-N 3.05Å; S340-V351 CarbonylContact C-O 3.59Å; S340-V351 WeakPolarHBondContact CA-O 3.35Å
341	V	97.9	Very high	93.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.8	172.9	-175.4	0	0	0	0	109.4	R295 L296 A297 T350 V351 M353 W372 L378 T397	R295-V341 HydrophobicContact CB-CG1 4.07Å; L296-V341 WeakPolarHBondContact O-CA 3.32Å; A297-V341 HydrophobicContact CB-CG2 3.89Å; V341-T350 CarbonylContact O-C 3.59Å; V341-T350 WeakPolarHBondContact O-CA 3.47Å; V341-V351 PolarHBondContact N-O 3.42Å; V341-V351 PolarHBondContact O-N 3.04Å; V341-M353 HydrophobicContact CB-CE 4.15Å; V341-M353 HydrophobicContact CG2-CE 3.86Å; V341-M353 HydrophobicContact CG2-CG 4.17Å; V341-M353 HydrophobicContact CG2-SD 4.11Å; V341-W372 HydrophobicContact CG1-CH2 3.83Å; V341-W372 HydrophobicContact CG1-CZ2 4.23Å; V341-L378 HydrophobicContact CG2-CD2 3.97Å; V341-T397 HydrophobicContact CB-CG2 4.31Å; V341-T397 HydrophobicContact CG1-CG2 4.1Å; V341-T397 HydrophobicContact CG2-CG2 3.83Å
342	V	96.8	Very high	94.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.3	177.4	60.7	0	0	0	0	110.9	L258 R295 L296 Y298 L344 L348 H349	L258-V342 HydrophobicContact CD1-CG1 4.08Å; R295-V342 WeakPolarHBondContact CA-O 3.31Å; L296-V342 HydrophobicContact CB-CG1 4Å; L296-V342 PolarHBondContact N-O 2.83Å; L296-V342 PolarHBondContact O-N 3.33Å; Y298-V342 HydrophobicContact CD1-CG1 4.37Å; Y298-V342 HydrophobicContact CE1-CB 4.43Å; Y298-V342 HydrophobicContact CE1-CG1 4.17Å; V342-L344 HydrophobicContact CG1-CD2 4.17Å; V342-L348 HydrophobicContact CG2-CD2 4.35Å; V342-H349 WeakPolarHBondContact CA-O 3.27Å
343	S	95.2	Very high	94.2	Very high	28 Å²	28	48.7 Å²	48.7	20%	0.196	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.7	169	-168.7	0	0	0	0	110	H345 L348 H349	S343-H345 PolarHBondContact OG-O 3Å; S343-L348 WeakPolarHBondContact O-CD2 3.28Å; S343-H349 PolarHBondContact N-O 2.84Å
344	L	92.9	Very high	94.1	Very high	19 Å²	19	50 Å²	50	10%	0.099	28%	0.278	C	S	.	.	S	Bend	trans	-93.8	-9.6	177.2	-56.7	179.1	0	0	0	112.7	Y247 L258 W289 L294 L296 V342	Y247-L344 HydrophobicContact CD1-CD2 4.07Å; Y247-L344 HydrophobicContact CD2-CD1 4.22Å; Y247-L344 HydrophobicContact CD2-CD2 4.38Å; Y247-L344 HydrophobicContact CE1-CB 4.03Å; Y247-L344 HydrophobicContact CE1-CD2 4.26Å; Y247-L344 HydrophobicContact CE2-CD1 3.84Å; Y247-L344 HydrophobicContact CG-CD2 4.12Å; L258-L344 HydrophobicContact CD1-CD2 3.64Å; L258-L344 HydrophobicContact CD2-CD2 3.9Å; L258-L344 HydrophobicContact CG-CD2 4.45Å; W289-L344 HydrophobicContact CE3-CD1 3.9Å; W289-L344 HydrophobicContact CH2-CD1 4.25Å; W289-L344 HydrophobicContact CZ3-CD1 3.33Å; L294-L344 WeakPolarHBondContact O-CB 3.38Å; L294-L344 PolarHBondContact O-N 2.84Å; L296-L344 HydrophobicContact CB-CD1 4.12Å; L296-L344 HydrophobicContact CB-CD2 4.36Å; L296-L344 HydrophobicContact CB-CG 4.39Å; V342-L344 HydrophobicContact CG1-CD2 4.17Å
345	H	85.4	Confident	94	Very high	133 Å²	133	52.4 Å²	52.4	62%	0.616	29%	0.288	S	S	*	.	S	Bend	trans	-109.5	134.5	174.6	-177.5	-81.2	0	0	0	110.6	L294 S343	L294-H345 HydrophobicContact CD2-CB 4.2Å; S343-H345 PolarHBondContact OG-O 3Å
346	G	82.1	Confident	93.8	Very high	53 Å²	53	52.7 Å²	52.7	55%	0.546	29%	0.29	S	S	.	.	S	Bend	trans	73.7	-150.2	-177.5	0	0	0	0	0	112.8	L348	G346-L348 PolarHBondContact O-N 3.08Å
347	P	84.7	Confident	93.4	Very high	116 Å²	116	57.1 Å²	57.1	75%	0.753	31%	0.311	S	S	*	.	S	Bend	trans	-60.4	132.5	175.6	-22.2	33.9	0	0	0	111.6	H349	P347-H349 PolarHBondContact O-N 2.8Å
348	L	86.9	Confident	93.2	Very high	89 Å²	89	58 Å²	58	47%	0.466	32%	0.316	S	S	.	.			trans	-64.3	104.5	172.3	-65.2	180	0	0	0	109.3	I256 L258 V342 S343 G346	I256-L348 HydrophobicContact CD1-CD1 4.16Å; I256-L348 HydrophobicContact CD1-CD2 4.17Å; L258-L348 HydrophobicContact CD2-CD1 4.32Å; L258-L348 HydrophobicContact CD2-CD2 3.77Å; V342-L348 HydrophobicContact CG2-CD2 4.35Å; S343-L348 WeakPolarHBondContact O-CD2 3.28Å; G346-L348 PolarHBondContact O-N 3.08Å
349	H	91.7	Very high	93	Very high	125 Å²	125	59.4 Å²	59.4	58%	0.579	33%	0.333	S	S	*	.			trans	-122.2	128.3	173.2	-171.9	63.1	0	0	0	109.2	V342 S343 P347	V342-H349 WeakPolarHBondContact CA-O 3.27Å; S343-H349 PolarHBondContact N-O 2.84Å; P347-H349 PolarHBondContact O-N 2.8Å
350	T	95.5	Very high	92.7	Very high	56 Å²	56	63.2 Å²	63.2	34%	0.344	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125	-178.2	-57.3	0	0	0	0	109.6	Y298 V341	Y298-T350 HydrophobicContact CE1-CG2 4.35Å; V341-T350 CarbonylContact O-C 3.59Å; V341-T350 WeakPolarHBondContact O-CA 3.47Å
351	V	96.6	Very high	92.4	Very high	20 Å²	20	62.9 Å²	62.9	12%	0.121	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.4	-178.9	-173.9	0	0	0	0	109.1	S340 V341 M353	S340-V351 CarbonylContact C-O 3.59Å; S340-V351 WeakPolarHBondContact CA-O 3.35Å; V341-V351 PolarHBondContact N-O 3.42Å; V341-V351 PolarHBondContact O-N 3.04Å; V351-M353 HydrophobicContact CB-CE 3.97Å; V351-M353 HydrophobicContact CG1-CE 3.78Å; V351-M353 VanDerWaalsContact O-CE 3.27Å; V351-M353 WeakPolarHBondContact O-CE 3.48Å
352	V	97.4	Very high	92	Very high	79 Å²	79	64.3 Å²	64.3	48%	0.479	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130.9	175.2	-176.5	0	0	0	0	109.6
353	M	97.5	Very high	91.7	Very high	5 Å²	5	75.8 Å²	75.8	3%	0.025	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-77.6	122.2	176.4	-58.7	-58.9	100.7	0	0	109.2	L339 V341 V351 K355 L378 C395 T397	L339-M353 HydrophobicContact CB-CB 4.33Å; L339-M353 HydrophobicContact CD2-CB 4.29Å; L339-M353 HydrophobicContact CD2-CG 4.13Å; L339-M353 HydrophobicContact CG-CB 4.37Å; L339-M353 HydrophobicContact CG-CG 4.1Å; L339-M353 PolarHBondContact O-N 3.21Å; V341-M353 HydrophobicContact CB-CE 4.15Å; V341-M353 HydrophobicContact CG2-CE 3.86Å; V341-M353 HydrophobicContact CG2-CG 4.17Å; V341-M353 HydrophobicContact CG2-SD 4.11Å; V351-M353 HydrophobicContact CB-CE 3.97Å; V351-M353 HydrophobicContact CG1-CE 3.78Å; V351-M353 VanDerWaalsContact O-CE 3.27Å; V351-M353 WeakPolarHBondContact O-CE 3.48Å; M353-K355 PolarHBondContact O-N 3.26Å; M353-L378 HydrophobicContact CG-CD2 4.34Å; M353-C395 HydrophobicContact CG-CB 4.4Å; M353-C395 HydrophobicContact SD-CB 3.7Å; M353-T397 HydrophobicContact SD-CG2 4.23Å
354	K	95.3	Very high	91.6	Very high	134 Å²	134	78.3 Å²	78.3	58%	0.583	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-74	127.6	-176.6	-66.5	177.6	-179	179.9	0	110.9	G400 C402	K354-G400 WeakPolarHBondContact CB-O 3.2Å; K354-G400 WeakPolarHBondContact CG-O 3.35Å; K354-G400 PolarHBondContact N-O 2.98Å; K354-C402 VanDerWaalsContact O-CB 3.25Å; K354-C402 WeakPolarHBondContact O-CB 3.31Å; K354-C402 PolarHBondContact O-SG 3.17Å
355	K	94	Very high	91.7	Very high	64 Å²	64	79.1 Å²	79.1	28%	0.278	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-55.9	153.7	169.1	75.7	168.8	-159.7	70.5	0	110.5	M353 Y365 W382	M353-K355 PolarHBondContact O-N 3.26Å; K355-Y365 HydrophobicContact CD-CD1 4.43Å; K355-Y365 HydrophobicContact CD-CE1 3.84Å; K355-W382 HydrophobicContact CB-CD2 4.47Å; K355-W382 HydrophobicContact CB-CE3 3.92Å; K355-W382 HydrophobicContact CB-CH2 3.93Å; K355-W382 HydrophobicContact CB-CZ2 4.46Å; K355-W382 HydrophobicContact CB-CZ3 3.62Å
356	P	93.1	Very high	92.3	Very high	13 Å²	13	72.9 Å²	72.9	8%	0.084	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-62.7	143.8	172.5	25.7	-34.5	0	0	0	112	D358 I361 W382 I391 T393	P356-D358 PolarHBondContact O-N 2.96Å; P356-D358 VanDerWaalsContact O-N 3.09Å; P356-I361 HydrophobicContact CG-CG1 4.2Å; P356-W382 HydrophobicContact CG-CB 4.35Å; P356-W382 HydrophobicContact CG-CD2 4.47Å; P356-W382 HydrophobicContact CG-CG 4.02Å; P356-I391 HydrophobicContact CB-CD1 4.43Å; P356-I391 HydrophobicContact CB-CG2 4.35Å; P356-I391 HydrophobicContact CG-CB 4.39Å; P356-I391 HydrophobicContact CG-CD1 4.32Å; P356-I391 HydrophobicContact CG-CG2 4.27Å; P356-T393 HydrophobicContact CB-CG2 4.22Å; P356-T393 HydrophobicContact CG-CG2 4.28Å
357	D	90.3	Very high	93.1	Very high	161 Å²	161	70.4 Å²	70.4	86%	0.861	36%	0.359	S	S	*	.			trans	-84.6	52.7	173.3	-68.4	-39.5	0	0	0	111.3
358	D	91.4	Very high	93.7	Very high	20 Å²	20	65.1 Å²	65.1	11%	0.107	33%	0.325	C	S	.	.			trans	-110.5	125.9	175.6	-164	-58	0	0	0	110.1	P356 R360 I361 I391 K404	P356-D358 PolarHBondContact O-N 2.96Å; P356-D358 VanDerWaalsContact O-N 3.09Å; D358-R360 PolarHBondContact O-N 2.88Å; D358-R360 VanDerWaalsContact OD1-CB 3.26Å; D358-R360 WeakPolarHBondContact OD1-CB 3.5Å; D358-R360 WeakPolarHBondContact OD1-CG 3.25Å; D358-R360 IonicContact OD1-CZ 3.84Å; D358-R360 PolarHBondContact OD1-N 2.9Å; D358-R360 IonicContact OD1-NE 2.97Å; D358-R360 PolarHBondContact OD1-NE 3.2Å; D358-R360 IonicContact OD1-NH2 3.8Å; D358-R360 IonicContact OD2-CZ 3.52Å; D358-R360 IonicContact OD2-NE 3.43Å; D358-R360 PolarHBondContact OD2-NE 2.93Å; D358-R360 IonicContact OD2-NH2 2.74Å; D358-R360 PolarHBondContact OD2-NH2 2.85Å; D358-I361 PolarHBondContact O-N 2.81Å; D358-I391 HydrophobicContact CB-CD1 3.41Å; D358-I391 VanDerWaalsContact CB-CD1 3.41Å; D358-K404 IonicContact OD2-NZ 3.79Å
359	P	91.9	Very high	94.2	Very high	120 Å²	120	61.3 Å²	61.3	78%	0.779	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.7	-178.2	26.8	-35	0	0	0	113.3	I361 G362	P359-I361 VanDerWaalsContact C-N 3.32Å; P359-I361 PolarHBondContact O-N 3.13Å; P359-G362 PolarHBondContact O-N 3.23Å; P359-G362 VanDerWaalsContact O-N 3.15Å
360	R	91.4	Very high	94.5	Very high	81 Å²	81	55.8 Å²	55.8	31%	0.306	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.8	179.4	-62.7	173	-69.4	174.6	-2.8	113.3	D358 N384 N389 E407	D358-R360 PolarHBondContact O-N 2.88Å; D358-R360 VanDerWaalsContact OD1-CB 3.26Å; D358-R360 WeakPolarHBondContact OD1-CB 3.5Å; D358-R360 WeakPolarHBondContact OD1-CG 3.25Å; D358-R360 IonicContact OD1-CZ 3.84Å; D358-R360 PolarHBondContact OD1-N 2.9Å; D358-R360 IonicContact OD1-NE 2.97Å; D358-R360 PolarHBondContact OD1-NE 3.2Å; D358-R360 IonicContact OD1-NH2 3.8Å; D358-R360 IonicContact OD2-CZ 3.52Å; D358-R360 IonicContact OD2-NE 3.43Å; D358-R360 PolarHBondContact OD2-NE 2.93Å; D358-R360 IonicContact OD2-NH2 2.74Å; D358-R360 PolarHBondContact OD2-NH2 2.85Å; R360-N384 WeakPolarHBondContact O-CB 3.46Å; R360-N384 PolarHBondContact O-ND2 3.17Å; R360-N384 VanDerWaalsContact O-ND2 3.09Å; R360-N389 HydrophobicContact CB-CB 4.12Å; R360-N389 WeakPolarHBondContact CD-OD1 3.34Å; R360-E407 IonicContact CZ-OE1 2.74Å; R360-E407 IonicContact CZ-OE2 3.98Å; R360-E407 IonicContact NH1-OE1 2.67Å; R360-E407 PolarHBondContact NH1-OE1 2.73Å; R360-E407 IonicContact NH1-OE2 2.99Å; R360-E407 IonicContact NH2-OE1 3.74Å; R360-E407 PolarHBondContact NH2-OE1 3.23Å; R360-E407 IonicContact NH2-OE2 3.32Å; R360-E407 PolarHBondContact NH2-OE2 2.9Å
361	I	93	Very high	94.5	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-31.9	170.8	-63.7	-59.9	0	0	0	110.9	P356 D358 P359 Y365 W382 N384 I391	P356-I361 HydrophobicContact CG-CG1 4.2Å; D358-I361 PolarHBondContact O-N 2.81Å; P359-I361 VanDerWaalsContact C-N 3.32Å; P359-I361 PolarHBondContact O-N 3.13Å; I361-Y365 HydrophobicContact CG2-CD1 4.3Å; I361-Y365 HydrophobicContact CG2-CG 4.08Å; I361-W382 HydrophobicContact CD1-CB 4.29Å; I361-N384 HydrophobicContact CD1-CB 4.47Å; I361-I391 HydrophobicContact CD1-CB 4.39Å; I361-I391 HydrophobicContact CD1-CD1 4.14Å; I361-I391 HydrophobicContact CD1-CG1 4.01Å; I361-I391 HydrophobicContact CG1-CD1 3.63Å; I361-I391 HydrophobicContact CG1-CG1 4.06Å
362	G	89.4	Confident	94.5	Very high	32 Å²	32	56.3 Å²	56.3	33%	0.33	28%	0.275	S	S	.	.			trans	69.8	-151.9	175.8	0	0	0	0	0	113.8	P359	P359-G362 PolarHBondContact O-N 3.23Å; P359-G362 VanDerWaalsContact O-N 3.15Å
363	R	89.1	Confident	94.3	Very high	241 Å²	241	53.1 Å²	53.1	91%	0.909	26%	0.257	S	S	*	.	S	Bend	trans	-92	-36.3	175.6	-68.5	-175.6	177.1	-173.1	-0.8	112.5	Y365	R363-Y365 WeakPolarHBondContact O-CD1 3.44Å
364	E	93.2	Very high	94.1	Very high	82 Å²	82	54.7 Å²	54.7	38%	0.383	27%	0.267	S	S	.	.	S	Bend	trans	-101.9	119.8	-178.7	-57.5	-179	96.9	0	0	110.6	R385	E364-R385 HydrophobicContact CB-CB 3.87Å; E364-R385 VanDerWaalsContact CD-CD 3.5Å; E364-R385 PolarHBondContact O-N 2.86Å; E364-R385 WeakPolarHBondContact OE1-CD 3.35Å; E364-R385 IonicContact OE1-CZ 2.64Å; E364-R385 IonicContact OE1-NE 2.7Å; E364-R385 IonicContact OE1-NH1 3.01Å; E364-R385 PolarHBondContact OE1-NH1 2.7Å; E364-R385 WeakPolarHBondContact OE2-CD 3.21Å; E364-R385 IonicContact OE2-NH1 2.9Å
365	Y	96.4	Very high	94	Very high	35 Å²	35	51.5 Å²	51.5	14%	0.137	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	160.6	-174.5	60.9	-89.7	0	0	0	110.8	V337 K355 I361 R363 I367 W382 L383	V337-Y365 HydrophobicContact CG2-CD2 4.41Å; V337-Y365 HydrophobicContact CG2-CE2 3.95Å; V337-Y365 PolarHBondContact O-OH 3.12Å; K355-Y365 HydrophobicContact CD-CD1 4.43Å; K355-Y365 HydrophobicContact CD-CE1 3.84Å; I361-Y365 HydrophobicContact CG2-CD1 4.3Å; I361-Y365 HydrophobicContact CG2-CG 4.08Å; R363-Y365 WeakPolarHBondContact O-CD1 3.44Å; Y365-I367 HydrophobicContact CD2-CG1 4.44Å; Y365-I367 HydrophobicContact CE2-CG1 4.28Å; Y365-W382 AromaticContact CD2-CE3 3.76Å; Y365-W382 HydrophobicContact CD2-CE3 3.76Å; Y365-W382 HydrophobicContact CD2-CZ3 4.22Å; Y365-W382 AromaticContact CE2-CE3 3.59Å; Y365-W382 HydrophobicContact CE2-CE3 3.59Å; Y365-W382 AromaticContact CE2-CZ3 3.56Å; Y365-W382 HydrophobicContact CE2-CZ3 3.56Å; Y365-L383 CarbonylContact C-O 3.59Å; Y365-L383 VanDerWaalsContact CA-O 3.26Å; Y365-L383 WeakPolarHBondContact CA-O 3.3Å; Y365-L383 WeakPolarHBondContact CB-O 3.42Å
366	Y	98	Very high	93.9	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.1	171.5	-49.9	-69.4	0	0	0	110.3	L275 Y276 I280 N334 L383 Q387	L275-Y366 HydrophobicContact CD2-CE1 4.03Å; Y276-Y366 HydrophobicContact CE2-CD1 4.38Å; Y276-Y366 VanDerWaalsContact OH-CA 3.3Å; Y276-Y366 WeakPolarHBondContact OH-CA 3.24Å; I280-Y366 HydrophobicContact CD1-CD1 3.74Å; I280-Y366 HydrophobicContact CD1-CD2 4.07Å; I280-Y366 HydrophobicContact CD1-CE1 3.97Å; I280-Y366 HydrophobicContact CD1-CE2 4.27Å; I280-Y366 HydrophobicContact CD1-CG 3.78Å; I280-Y366 HydrophobicContact CG1-CD1 4.12Å; I280-Y366 HydrophobicContact CG1-CG 4.45Å; N334-Y366 PolarHBondContact ND2-OH 2.88Å; Y366-L383 PolarHBondContact N-O 3.38Å; Y366-L383 PolarHBondContact O-N 2.89Å; Y366-Q387 HydrophobicContact CD2-CG 4.13Å; Y366-Q387 HydrophobicContact CE2-CG 3.88Å
367	I	98.3	Very high	93.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	104.9	165.4	-61.8	177.3	0	0	0	107.2	Y276 M299 V337 L339 Y365 V370 V380 W382	Y276-I367 WeakPolarHBondContact CE1-O 3.48Å; Y276-I367 PolarHBondContact OH-N 2.85Å; M299-I367 HydrophobicContact SD-CB 4.11Å; M299-I367 HydrophobicContact SD-CD1 4.34Å; V337-I367 HydrophobicContact CG2-CD1 3.98Å; V337-I367 HydrophobicContact CG2-CG1 3.95Å; L339-I367 HydrophobicContact CB-CD1 3.92Å; Y365-I367 HydrophobicContact CD2-CG1 4.44Å; Y365-I367 HydrophobicContact CE2-CG1 4.28Å; I367-V370 HydrophobicContact CG2-CG2 3.55Å; I367-V380 HydrophobicContact CG2-CG1 3.9Å; I367-W382 HydrophobicContact CD1-CE3 4.22Å; I367-W382 HydrophobicContact CD1-CH2 4.18Å; I367-W382 HydrophobicContact CD1-CZ3 3.72Å; I367-W382 HydrophobicContact CG1-CE3 3.87Å; I367-W382 HydrophobicContact CG1-CZ3 3.92Å
368	T	97.4	Very high	94.2	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-19.9	-171.4	55.1	0	0	0	0	113.9	I280 L281 N381 L383 Q417 N418	I280-T368 HydrophobicContact CG2-CG2 3.95Å; L281-T368 VanDerWaalsContact CD2-O 3.24Å; L281-T368 WeakPolarHBondContact CD2-O 3.48Å; T368-N381 PolarHBondContact N-O 2.82Å; T368-N381 VanDerWaalsContact N-O 3.13Å; T368-N381 PolarHBondContact OG1-ND2 2.79Å; T368-L383 HydrophobicContact CG2-CB 3.74Å; T368-L383 HydrophobicContact CG2-CD2 3.64Å; T368-L383 HydrophobicContact CG2-CG 4.34Å; T368-Q417 VanDerWaalsContact CB-O 3.27Å; T368-Q417 WeakPolarHBondContact CB-O 3.34Å; T368-Q417 HydrophobicContact CG2-CB 4.16Å; T368-Q417 PolarHBondContact OG1-O 2.94Å; T368-N418 VanDerWaalsContact O-CA 3.26Å; T368-N418 WeakPolarHBondContact O-CA 3.01Å; T368-N418 WeakPolarHBondContact O-CB 3.16Å
369	M	97.1	Very high	94.4	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.039	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	133.4	-179.6	-175	-75.7	-55.3	0	0	110	K371 V380 N381 L392 P420 P421	M369-K371 HydrophobicContact SD-CB 3.71Å; M369-V380 WeakPolarHBondContact O-CA 3.25Å; M369-N381 HydrophobicContact CB-CB 3.89Å; M369-N381 HydrophobicContact CE-CB 3.98Å; M369-N381 PolarHBondContact O-N 3.13Å; M369-L392 HydrophobicContact CE-CD1 3.6Å; M369-P420 HydrophobicContact CG-CB 4.37Å; M369-P420 HydrophobicContact SD-CB 4.43Å; M369-P421 VanDerWaalsContact CE-CD 3.42Å; M369-P421 HydrophobicContact CE-CG 4Å
370	V	97.8	Very high	94.7	Very high	10 Å²	10	39.7 Å²	39.7	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.9	171.4	179.7	0	0	0	0	108.5	W288 L339 I367 L378 A379 V380	W288-V370 HydrophobicContact CD2-CB 3.8Å; W288-V370 HydrophobicContact CD2-CG1 3.78Å; W288-V370 HydrophobicContact CE3-CB 3.85Å; W288-V370 HydrophobicContact CE3-CG1 3.62Å; W288-V370 HydrophobicContact CE3-CG2 4.33Å; W288-V370 HydrophobicContact CG-CG1 4.28Å; W288-V370 HydrophobicContact CH2-CB 3.91Å; W288-V370 HydrophobicContact CH2-CG2 3.8Å; W288-V370 HydrophobicContact CZ2-CB 3.87Å; W288-V370 HydrophobicContact CZ2-CG2 4.16Å; W288-V370 HydrophobicContact CZ3-CB 3.9Å; W288-V370 HydrophobicContact CZ3-CG1 4.01Å; W288-V370 HydrophobicContact CZ3-CG2 3.89Å; L339-V370 HydrophobicContact CD1-CG1 4.34Å; L339-V370 HydrophobicContact CD1-CG2 4.17Å; L339-V370 HydrophobicContact CD2-CG1 4.18Å; L339-V370 HydrophobicContact CD2-CG2 3.9Å; I367-V370 HydrophobicContact CG2-CG2 3.55Å; V370-L378 HydrophobicContact CG1-CD1 3.71Å; V370-L378 HydrophobicContact CG1-CD2 3.9Å; V370-L378 HydrophobicContact CG1-CG 3.89Å; V370-A379 WeakPolarHBondContact CA-O 3.41Å; V370-V380 HydrophobicContact CG2-CG1 4.35Å
371	K	96.4	Very high	95	Very high	63 Å²	63	36.7 Å²	36.7	27%	0.274	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	136.8	178.1	178.2	160.9	176.3	-176.3	0	112	M369 A373 A379 P420 P421	M369-K371 HydrophobicContact SD-CB 3.71Å; K371-A373 PolarHBondContact O-N 3.42Å; K371-A379 PolarHBondContact N-O 2.66Å; K371-A379 WeakPolarHBondContact O-CA 3.23Å; K371-A379 WeakPolarHBondContact O-CB 3.4Å; K371-A379 PolarHBondContact O-N 2.91Å; K371-P420 HydrophobicContact CD-CB 3.51Å; K371-P421 WeakPolarHBondContact CD-O 3.35Å; K371-P421 WeakPolarHBondContact CE-O 3.27Å; K371-P421 PolarHBondContact NZ-O 3.05Å
372	W	95.9	Very high	95.2	Very high	24 Å²	24	36.7 Å²	36.7	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	128.1	172.7	-68.1	92.1	0	0	0	111.1	W288 W289 P291 R295 A297 V341 N375 L378 T397	W288-W372 PolarHBondContact O-NE1 3.44Å; W289-W372 PolarHBondContact O-NE1 2.77Å; W289-W372 VanDerWaalsContact O-NE1 3.15Å; P291-W372 HydrophobicContact CG-CB 4.33Å; R295-W372 HydrophobicContact CB-CH2 3.59Å; R295-W372 HydrophobicContact CB-CZ2 4.04Å; R295-W372 HydrophobicContact CG-CH2 4.37Å; A297-W372 HydrophobicContact CB-CZ2 3.86Å; V341-W372 HydrophobicContact CG1-CH2 3.83Å; V341-W372 HydrophobicContact CG1-CZ2 4.23Å; W372-N375 WeakPolarHBondContact CZ3-O 3.17Å; W372-L378 HydrophobicContact CD2-CD1 3.6Å; W372-L378 HydrophobicContact CE3-CD1 4.09Å; W372-L378 HydrophobicContact CG-CD1 3.78Å; W372-L378 HydrophobicContact CZ2-CD1 4.32Å; W372-T397 HydrophobicContact CH2-CG2 3.81Å; W372-T397 HydrophobicContact CZ3-CG2 3.67Å
373	A	93.2	Very high	95.6	Very high	12 Å²	12	35.3 Å²	35.3	10%	0.099	16%	0.162	C	C	.	.	S	Bend	trans	-93.6	-36.5	174.8	0	0	0	0	0	111.4	K371 K377 L394 F423	K371-A373 PolarHBondContact O-N 3.42Å; A373-K377 HydrophobicContact CB-CB 4.28Å; A373-K377 PolarHBondContact N-O 2.64Å; A373-L394 HydrophobicContact CB-CD1 4.24Å; A373-F423 HydrophobicContact CB-CD1 3.6Å; A373-F423 HydrophobicContact CB-CD2 3.82Å; A373-F423 HydrophobicContact CB-CE1 3.56Å; A373-F423 HydrophobicContact CB-CE2 3.76Å; A373-F423 HydrophobicContact CB-CG 3.76Å; A373-F423 HydrophobicContact CB-CZ 3.68Å
374	T	92.8	Very high	96	Very high	38 Å²	38	24.6 Å²	24.6	23%	0.233	12%	0.123	C	C	.	.	S	Bend	trans	-142	-171.9	169.1	74.6	0	0	0	0	108.5	T376 K377	T374-T376 PolarHBondContact O-N 3.21Å; T374-T376 PolarHBondContact OG1-N 3.13Å; T374-K377 HydrophobicContact CG2-CB 4.4Å; T374-K377 HydrophobicContact CG2-CD 4.33Å; T374-K377 PolarHBondContact N-O 3.37Å; T374-K377 WeakPolarHBondContact OG1-CB 3.37Å; T374-K377 PolarHBondContact OG1-N 3.48Å; T374-K377 VanDerWaalsContact OG1-N 3.07Å
375	N	93.5	Very high	96.1	Very high	66 Å²	66	22.2 Å²	22.2	35%	0.353	11%	0.11	S	C	.	.	S	Bend	trans	-66.4	-19	173.6	-62	8.8	0	0	0	114.3	D292 W372	D292-N375 WeakPolarHBondContact CB-ND2 3.24Å; D292-N375 VanDerWaalsContact CG-ND2 3.32Å; D292-N375 VanDerWaalsContact OD2-CB 3.29Å; D292-N375 WeakPolarHBondContact OD2-CB 3.48Å; D292-N375 PolarHBondContact OD2-ND2 2.9Å; W372-N375 WeakPolarHBondContact CZ3-O 3.17Å
376	T	92.7	Very high	96	Very high	48 Å²	48	22.3 Å²	22.3	29%	0.294	12%	0.118	S	C	.	.	S	Bend	trans	-120.4	-16	-178.6	74.6	0	0	0	0	113.6	T374 E396 T397	T374-T376 PolarHBondContact O-N 3.21Å; T374-T376 PolarHBondContact OG1-N 3.13Å; T376-E396 WeakPolarHBondContact CB-OE1 3.46Å; T376-E396 PolarHBondContact OG1-OE1 2.8Å; T376-T397 WeakPolarHBondContact O-CB 3.04Å; T376-T397 VanDerWaalsContact O-CG2 3.26Å; T376-T397 WeakPolarHBondContact O-CG2 3.23Å; T376-T397 PolarHBondContact O-N 3.46Å; T376-T397 PolarHBondContact O-OG1 2.89Å
377	K	93.4	Very high	95.9	Very high	81 Å²	81	22.2 Å²	22.2	35%	0.352	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.4	-176.3	-72.7	165.5	168	-178.6	0	111.7	A373 T374 L394 C395 E396	A373-K377 HydrophobicContact CB-CB 4.28Å; A373-K377 PolarHBondContact N-O 2.64Å; T374-K377 HydrophobicContact CG2-CB 4.4Å; T374-K377 HydrophobicContact CG2-CD 4.33Å; T374-K377 PolarHBondContact N-O 3.37Å; T374-K377 WeakPolarHBondContact OG1-CB 3.37Å; T374-K377 PolarHBondContact OG1-N 3.48Å; T374-K377 VanDerWaalsContact OG1-N 3.07Å; K377-L394 HydrophobicContact CB-CD2 3.79Å; K377-L394 HydrophobicContact CB-CG 4.3Å; K377-L394 HydrophobicContact CD-CD2 3.88Å; K377-L394 HydrophobicContact CG-CD2 3.74Å; K377-C395 WeakPolarHBondContact CA-O 3.43Å; K377-E396 WeakPolarHBondContact CE-OE2 3.48Å; K377-E396 WeakPolarHBondContact CG-OE2 3.4Å
378	L	95.6	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.1	-177.5	-169.3	70	0	0	0	110	A297 L339 V341 M353 V370 W372 V380 C395 T397	A297-L378 HydrophobicContact CB-CD1 4.23Å; A297-L378 HydrophobicContact CB-CD2 3.85Å; L339-L378 HydrophobicContact CD2-CD2 3.83Å; L339-L378 HydrophobicContact CG-CD2 4.37Å; V341-L378 HydrophobicContact CG2-CD2 3.97Å; M353-L378 HydrophobicContact CG-CD2 4.34Å; V370-L378 HydrophobicContact CG1-CD1 3.71Å; V370-L378 HydrophobicContact CG1-CD2 3.9Å; V370-L378 HydrophobicContact CG1-CG 3.89Å; W372-L378 HydrophobicContact CD2-CD1 3.6Å; W372-L378 HydrophobicContact CE3-CD1 4.09Å; W372-L378 HydrophobicContact CG-CD1 3.78Å; W372-L378 HydrophobicContact CZ2-CD1 4.32Å; L378-V380 HydrophobicContact CD2-CG2 4.22Å; L378-V380 HydrophobicContact CG-CG2 4.15Å; L378-C395 PolarHBondContact N-O 3.24Å; L378-C395 PolarHBondContact O-N 3.13Å; L378-T397 HydrophobicContact CB-CG2 3.83Å
379	A	96.1	Very high	95.8	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.2	171.7	0	0	0	0	0	110.2	V370 K371 L392 T393 F423	V370-A379 WeakPolarHBondContact CA-O 3.41Å; K371-A379 PolarHBondContact N-O 2.66Å; K371-A379 WeakPolarHBondContact O-CA 3.23Å; K371-A379 WeakPolarHBondContact O-CB 3.4Å; K371-A379 PolarHBondContact O-N 2.91Å; A379-L392 HydrophobicContact CB-CD1 4.49Å; A379-T393 WeakPolarHBondContact CA-O 3.27Å; A379-F423 HydrophobicContact CB-CE2 3.71Å; A379-F423 HydrophobicContact CB-CZ 3.49Å; A379-F423 VanDerWaalsContact CB-CZ 3.49Å
380	V	97.5	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	123.6	-175.7	-172.7	0	0	0	0	109	L339 I367 M369 V370 L378 W382 T393	L339-V380 HydrophobicContact CD2-CB 4.3Å; L339-V380 HydrophobicContact CD2-CG1 3.86Å; L339-V380 HydrophobicContact CD2-CG2 3.41Å; L339-V380 VanDerWaalsContact CD2-CG2 3.41Å; I367-V380 HydrophobicContact CG2-CG1 3.9Å; M369-V380 WeakPolarHBondContact O-CA 3.25Å; V370-V380 HydrophobicContact CG2-CG1 4.35Å; L378-V380 HydrophobicContact CD2-CG2 4.22Å; L378-V380 HydrophobicContact CG-CG2 4.15Å; V380-W382 HydrophobicContact CB-CZ2 4.28Å; V380-W382 HydrophobicContact CG1-CD2 4.13Å; V380-W382 HydrophobicContact CG1-CH2 4.41Å; V380-W382 HydrophobicContact CG1-CZ2 3.71Å; V380-T393 PolarHBondContact N-O 3.18Å; V380-T393 PolarHBondContact O-N 3.12Å; V380-T393 PolarHBondContact O-OG1 3.4Å
381	N	97.4	Very high	95.7	Very high	18 Å²	18	24.9 Å²	24.9	10%	0.096	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.4	173.7	-160.9	30.8	0	0	0	110.4	T368 M369 S390 I391 L392 Q417	T368-N381 PolarHBondContact N-O 2.82Å; T368-N381 VanDerWaalsContact N-O 3.13Å; T368-N381 PolarHBondContact OG1-ND2 2.79Å; M369-N381 HydrophobicContact CB-CB 3.89Å; M369-N381 HydrophobicContact CE-CB 3.98Å; M369-N381 PolarHBondContact O-N 3.13Å; N381-S390 PolarHBondContact ND2-OG 3.23Å; N381-S390 PolarHBondContact OD1-OG 2.9Å; N381-I391 PolarHBondContact OD1-O 2.99Å; N381-L392 HydrophobicContact CB-CD1 4.32Å; N381-Q417 PolarHBondContact ND2-O 3.44Å; N381-Q417 VanDerWaalsContact ND2-O 3.13Å; N381-Q417 PolarHBondContact ND2-OE1 3.26Å
382	W	97.6	Very high	95.6	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.9	179.5	-48.4	81.1	0	0	0	108.4	K355 P356 I361 Y365 I367 V380 S390 I391 T393	K355-W382 HydrophobicContact CB-CD2 4.47Å; K355-W382 HydrophobicContact CB-CE3 3.92Å; K355-W382 HydrophobicContact CB-CH2 3.93Å; K355-W382 HydrophobicContact CB-CZ2 4.46Å; K355-W382 HydrophobicContact CB-CZ3 3.62Å; P356-W382 HydrophobicContact CG-CB 4.35Å; P356-W382 HydrophobicContact CG-CD2 4.47Å; P356-W382 HydrophobicContact CG-CG 4.02Å; I361-W382 HydrophobicContact CD1-CB 4.29Å; Y365-W382 AromaticContact CD2-CE3 3.76Å; Y365-W382 HydrophobicContact CD2-CE3 3.76Å; Y365-W382 HydrophobicContact CD2-CZ3 4.22Å; Y365-W382 AromaticContact CE2-CE3 3.59Å; Y365-W382 HydrophobicContact CE2-CE3 3.59Å; Y365-W382 AromaticContact CE2-CZ3 3.56Å; Y365-W382 HydrophobicContact CE2-CZ3 3.56Å; I367-W382 HydrophobicContact CD1-CE3 4.22Å; I367-W382 HydrophobicContact CD1-CH2 4.18Å; I367-W382 HydrophobicContact CD1-CZ3 3.72Å; I367-W382 HydrophobicContact CG1-CE3 3.87Å; I367-W382 HydrophobicContact CG1-CZ3 3.92Å; V380-W382 HydrophobicContact CB-CZ2 4.28Å; V380-W382 HydrophobicContact CG1-CD2 4.13Å; V380-W382 HydrophobicContact CG1-CH2 4.41Å; V380-W382 HydrophobicContact CG1-CZ2 3.71Å; W382-S390 CarbonylContact O-C 3.56Å; W382-S390 WeakPolarHBondContact O-CA 3.15Å; W382-S390 PolarHBondContact O-OG 2.74Å; W382-I391 PolarHBondContact N-O 2.81Å; W382-I391 PolarHBondContact O-N 3.02Å; W382-T393 PolarHBondContact NE1-OG1 2.87Å
383	L	97.8	Very high	95.5	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.6	-179.5	-178	64.8	0	0	0	108.9	Y365 Y366 T368 Q387 L414 Q417	Y365-L383 CarbonylContact C-O 3.59Å; Y365-L383 VanDerWaalsContact CA-O 3.26Å; Y365-L383 WeakPolarHBondContact CA-O 3.3Å; Y365-L383 WeakPolarHBondContact CB-O 3.42Å; Y366-L383 PolarHBondContact N-O 3.38Å; Y366-L383 PolarHBondContact O-N 2.89Å; T368-L383 HydrophobicContact CG2-CB 3.74Å; T368-L383 HydrophobicContact CG2-CD2 3.64Å; T368-L383 HydrophobicContact CG2-CG 4.34Å; L383-Q387 HydrophobicContact CD1-CB 4.36Å; L383-Q387 HydrophobicContact CD2-CB 4Å; L383-Q387 HydrophobicContact CD2-CG 3.69Å; L383-Q387 HydrophobicContact CG-CB 4.23Å; L383-Q387 HydrophobicContact CG-CG 4.03Å; L383-L414 HydrophobicContact CD1-CB 4.27Å; L383-L414 HydrophobicContact CD1-CD1 3.93Å; L383-Q417 HydrophobicContact CD1-CG 4.33Å; L383-Q417 HydrophobicContact CD2-CB 4.18Å; L383-Q417 HydrophobicContact CD2-CG 4.14Å
384	N	97.1	Very high	95.6	Very high	16 Å²	16	21.9 Å²	21.9	9%	0.086	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	160.1	178.3	73.1	-15.5	0	0	0	112.5	R360 I361 A386 Q387 N388 N389	R360-N384 WeakPolarHBondContact O-CB 3.46Å; R360-N384 PolarHBondContact O-ND2 3.17Å; R360-N384 VanDerWaalsContact O-ND2 3.09Å; I361-N384 HydrophobicContact CD1-CB 4.47Å; N384-A386 PolarHBondContact O-N 3.2Å; N384-A386 VanDerWaalsContact O-N 3.17Å; N384-Q387 WeakPolarHBondContact O-CA 3.09Å; N384-Q387 PolarHBondContact O-N 3.03Å; N384-Q387 WeakPolarHBondContact OD1-CA 3.48Å; N384-Q387 PolarHBondContact OD1-N 2.8Å; N384-N388 PolarHBondContact ND2-OD1 3.46Å; N384-N388 PolarHBondContact OD1-N 2.96Å; N384-N388 PolarHBondContact OD1-OD1 3.48Å; N384-N389 PolarHBondContact N-O 3.35Å; N384-N389 VanDerWaalsContact N-O 3.11Å; N384-N389 PolarHBondContact OD1-N 3.05Å; N384-N389 VanDerWaalsContact OD1-N 3.16Å; N384-N389 PolarHBondContact OD1-O 3.21Å
385	R	95.6	Very high	95.7	Very high	31 Å²	31	20.1 Å²	20.1	12%	0.117	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-38.7	179	179.2	176.1	175.8	152.2	6.7	113.6	E332 E364 Q387 E733	E332-R385 VanDerWaalsContact O-CZ 3.3Å; E332-R385 PolarHBondContact O-NH1 3.03Å; E332-R385 PolarHBondContact O-NH2 3.29Å; E364-R385 HydrophobicContact CB-CB 3.87Å; E364-R385 VanDerWaalsContact CD-CD 3.5Å; E364-R385 PolarHBondContact O-N 2.86Å; E364-R385 WeakPolarHBondContact OE1-CD 3.35Å; E364-R385 IonicContact OE1-CZ 2.64Å; E364-R385 IonicContact OE1-NE 2.7Å; E364-R385 IonicContact OE1-NH1 3.01Å; E364-R385 PolarHBondContact OE1-NH1 2.7Å; E364-R385 WeakPolarHBondContact OE2-CD 3.21Å; E364-R385 IonicContact OE2-NH1 2.9Å; R385-Q387 PolarHBondContact O-N 3.37Å; R385-E733 WeakPolarHBondContact CG-OE2 3.36Å; R385-E733 IonicContact CZ-OE1 2.65Å; R385-E733 IonicContact CZ-OE2 2.77Å; R385-E733 IonicContact NE-OE1 3.84Å; R385-E733 IonicContact NE-OE2 2.87Å; R385-E733 PolarHBondContact NE-OE2 3Å; R385-E733 IonicContact NH2-OE1 2.66Å; R385-E733 PolarHBondContact NH2-OE1 3Å; R385-E733 IonicContact NH2-OE2 2.89Å
386	A	94.8	Very high	95.8	Very high	37 Å²	37	19.3 Å²	19.3	31%	0.306	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-7.1	176.7	0	0	0	0	0	114.5	N384 N388	N384-A386 PolarHBondContact O-N 3.2Å; N384-A386 VanDerWaalsContact O-N 3.17Å; A386-N388 VanDerWaalsContact C-N 3.26Å; A386-N388 PolarHBondContact O-N 2.89Å
387	Q	96.8	Very high	95.8	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.089	C	C	.	.	S	Bend	trans	53.8	37.8	176	-61	171.1	72.3	0	0	113.9	Y366 L383 N384 R385 W413 L414 A730 R734	Y366-Q387 HydrophobicContact CD2-CG 4.13Å; Y366-Q387 HydrophobicContact CE2-CG 3.88Å; L383-Q387 HydrophobicContact CD1-CB 4.36Å; L383-Q387 HydrophobicContact CD2-CB 4Å; L383-Q387 HydrophobicContact CD2-CG 3.69Å; L383-Q387 HydrophobicContact CG-CB 4.23Å; L383-Q387 HydrophobicContact CG-CG 4.03Å; N384-Q387 WeakPolarHBondContact O-CA 3.09Å; N384-Q387 PolarHBondContact O-N 3.03Å; N384-Q387 WeakPolarHBondContact OD1-CA 3.48Å; N384-Q387 PolarHBondContact OD1-N 2.8Å; R385-Q387 PolarHBondContact O-N 3.37Å; Q387-W413 CarbonylContact O-C 3.55Å; Q387-W413 VanDerWaalsContact O-CA 3.26Å; Q387-W413 WeakPolarHBondContact O-CA 3.48Å; Q387-L414 PolarHBondContact O-N 2.87Å; Q387-A730 PolarHBondContact NE2-O 3.24Å; Q387-R734 VanDerWaalsContact OE1-CZ 3.26Å
388	N	95.8	Very high	95.7	Very high	49 Å²	49	16.7 Å²	16.7	26%	0.262	9%	0.094	S	C	.	.	S	Bend	trans	-123.9	-9.7	-177.4	73.5	-13.4	0	0	0	114.1	N384 A386 E409 S410	N384-N388 PolarHBondContact ND2-OD1 3.46Å; N384-N388 PolarHBondContact OD1-N 2.96Å; N384-N388 PolarHBondContact OD1-OD1 3.48Å; A386-N388 VanDerWaalsContact C-N 3.26Å; A386-N388 PolarHBondContact O-N 2.89Å; N388-E409 WeakPolarHBondContact O-CA 3.33Å; N388-S410 WeakPolarHBondContact CB-O 3.34Å; N388-S410 PolarHBondContact O-N 2.68Å
389	N	96.8	Very high	95.6	Very high	25 Å²	25	20.4 Å²	20.4	13%	0.134	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.4	172.3	-73	-96.9	0	0	0	109.1	R360 N384	R360-N389 HydrophobicContact CB-CB 4.12Å; R360-N389 WeakPolarHBondContact CD-OD1 3.34Å; N384-N389 PolarHBondContact N-O 3.35Å; N384-N389 VanDerWaalsContact N-O 3.11Å; N384-N389 PolarHBondContact OD1-N 3.05Å; N384-N389 VanDerWaalsContact OD1-N 3.16Å; N384-N389 PolarHBondContact OD1-O 3.21Å
390	S	96.6	Very high	95.6	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.028	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.9	174.7	-160.4	0	0	0	0	111.4	N381 W382 E407 D408 L414 Q417	N381-S390 PolarHBondContact ND2-OG 3.23Å; N381-S390 PolarHBondContact OD1-OG 2.9Å; W382-S390 CarbonylContact O-C 3.56Å; W382-S390 WeakPolarHBondContact O-CA 3.15Å; W382-S390 PolarHBondContact O-OG 2.74Å; S390-E407 WeakPolarHBondContact O-CA 3.47Å; S390-D408 PolarHBondContact N-O 3.16Å; S390-D408 PolarHBondContact O-N 3.04Å; S390-L414 VanDerWaalsContact N-CD1 3.3Å; S390-Q417 PolarHBondContact OG-OE1 2.76Å
391	I	95.9	Very high	95.4	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.4	179.8	-61.5	-177.7	0	0	0	108.2	P356 D358 I361 N381 W382 T393 K404 E407	P356-I391 HydrophobicContact CB-CD1 4.43Å; P356-I391 HydrophobicContact CB-CG2 4.35Å; P356-I391 HydrophobicContact CG-CB 4.39Å; P356-I391 HydrophobicContact CG-CD1 4.32Å; P356-I391 HydrophobicContact CG-CG2 4.27Å; D358-I391 HydrophobicContact CB-CD1 3.41Å; D358-I391 VanDerWaalsContact CB-CD1 3.41Å; I361-I391 HydrophobicContact CD1-CB 4.39Å; I361-I391 HydrophobicContact CD1-CD1 4.14Å; I361-I391 HydrophobicContact CD1-CG1 4.01Å; I361-I391 HydrophobicContact CG1-CD1 3.63Å; I361-I391 HydrophobicContact CG1-CG1 4.06Å; N381-I391 PolarHBondContact OD1-O 2.99Å; W382-I391 PolarHBondContact N-O 2.81Å; W382-I391 PolarHBondContact O-N 3.02Å; I391-T393 HydrophobicContact CG2-CG2 3.89Å; I391-K404 HydrophobicContact CD1-CD 4.46Å; I391-K404 HydrophobicContact CG2-CB 4.32Å; I391-K404 HydrophobicContact CG2-CD 3.76Å; I391-K404 HydrophobicContact CG2-CG 3.75Å; I391-E407 HydrophobicContact CG1-CB 4.35Å
392	L	94.9	Very high	95.3	Very high	14 Å²	14	24 Å²	24	7%	0.073	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.1	167.6	-178.2	64.6	0	0	0	108.6	M369 A379 N381 K405 H406 F430	M369-L392 HydrophobicContact CE-CD1 3.6Å; A379-L392 HydrophobicContact CB-CD1 4.49Å; N381-L392 HydrophobicContact CB-CD1 4.32Å; L392-K405 PolarHBondContact O-N 2.97Å; L392-H406 HydrophobicContact CB-CB 4.14Å; L392-H406 HydrophobicContact CD2-CB 4.47Å; L392-H406 PolarHBondContact N-O 3.34Å; L392-H406 PolarHBondContact O-N 2.69Å; L392-H406 VanDerWaalsContact O-N 3.17Å; L392-F430 HydrophobicContact CD2-CD2 4.31Å; L392-F430 HydrophobicContact CD2-CE2 3.5Å; L392-F430 VanDerWaalsContact CD2-CE2 3.5Å; L392-F430 HydrophobicContact CD2-CZ 3.83Å
393	T	94.3	Very high	95	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	159.3	175.4	62.6	0	0	0	0	111	P356 A379 V380 W382 I391 C402 I403	P356-T393 HydrophobicContact CB-CG2 4.22Å; P356-T393 HydrophobicContact CG-CG2 4.28Å; A379-T393 WeakPolarHBondContact CA-O 3.27Å; V380-T393 PolarHBondContact N-O 3.18Å; V380-T393 PolarHBondContact O-N 3.12Å; V380-T393 PolarHBondContact O-OG1 3.4Å; W382-T393 PolarHBondContact NE1-OG1 2.87Å; I391-T393 HydrophobicContact CG2-CG2 3.89Å; T393-C402 HydrophobicContact CG2-CB 4.48Å; T393-I403 CarbonylContact C-O 3.52Å; T393-I403 VanDerWaalsContact CA-O 3.24Å; T393-I403 WeakPolarHBondContact CA-O 3.23Å
394	L	94	Very high	94.7	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.115	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.9	169.3	-174.9	159	0	0	0	108.1	A373 K377 I403 K405 F423	A373-L394 HydrophobicContact CB-CD1 4.24Å; K377-L394 HydrophobicContact CB-CD2 3.79Å; K377-L394 HydrophobicContact CB-CG 4.3Å; K377-L394 HydrophobicContact CD-CD2 3.88Å; K377-L394 HydrophobicContact CG-CD2 3.74Å; L394-I403 PolarHBondContact N-O 2.87Å; L394-I403 PolarHBondContact O-N 3.38Å; L394-K405 HydrophobicContact CB-CG 3.69Å; L394-F423 HydrophobicContact CD1-CE1 4.44Å
395	C	95.4	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.6	-170.7	-54.2	0	0	0	0	111.7	M353 K377 L378 V401 C402	M353-C395 HydrophobicContact CG-CB 4.4Å; M353-C395 HydrophobicContact SD-CB 3.7Å; K377-C395 WeakPolarHBondContact CA-O 3.43Å; L378-C395 PolarHBondContact N-O 3.24Å; L378-C395 PolarHBondContact O-N 3.13Å; C395-V401 WeakPolarHBondContact CA-O 3.32Å; C395-C402 HydrophobicContact CB-CB 4.05Å; C395-C402 WeakPolarHBondContact CB-SG 3.28Å; C395-C402 WeakPolarHBondContact SG-CB 3.32Å; C395-C402 CovalentContact SG-SG 2.03Å; C395-C402 PolarHBondContact SG-SG 3.18Å
396	E	95.1	Very high	94.1	Very high	49 Å²	49	34.4 Å²	34.4	23%	0.229	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.1	173.5	-169.6	65.4	-117.4	0	0	109.8	T376 K377 T398 T399 G400 V401	T376-E396 WeakPolarHBondContact CB-OE1 3.46Å; T376-E396 PolarHBondContact OG1-OE1 2.8Å; K377-E396 WeakPolarHBondContact CE-OE2 3.48Å; K377-E396 WeakPolarHBondContact CG-OE2 3.4Å; E396-T398 PolarHBondContact O-N 3.48Å; E396-T398 VanDerWaalsContact O-N 3.12Å; E396-T399 PolarHBondContact O-N 3.49Å; E396-T399 VanDerWaalsContact O-N 3.07Å; E396-T399 PolarHBondContact O-OG1 2.67Å; E396-G400 PolarHBondContact O-N 3.19Å; E396-V401 PolarHBondContact N-O 3.07Å
397	T	94.3	Very high	93.9	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.9	-167.8	60.4	0	0	0	0	115	R295 V341 M353 W372 T376 L378	R295-T397 PolarHBondContact NH1-OG1 3.44Å; V341-T397 HydrophobicContact CB-CG2 4.31Å; V341-T397 HydrophobicContact CG1-CG2 4.1Å; V341-T397 HydrophobicContact CG2-CG2 3.83Å; M353-T397 HydrophobicContact SD-CG2 4.23Å; W372-T397 HydrophobicContact CH2-CG2 3.81Å; W372-T397 HydrophobicContact CZ3-CG2 3.67Å; T376-T397 WeakPolarHBondContact O-CB 3.04Å; T376-T397 VanDerWaalsContact O-CG2 3.26Å; T376-T397 WeakPolarHBondContact O-CG2 3.23Å; T376-T397 PolarHBondContact O-N 3.46Å; T376-T397 PolarHBondContact O-OG1 2.89Å; L378-T397 HydrophobicContact CB-CG2 3.83Å
398	T	90.9	Very high	93.7	Very high	74 Å²	74	37.7 Å²	37.7	45%	0.454	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-22	172.3	52.6	0	0	0	0	113.4	E396	E396-T398 PolarHBondContact O-N 3.48Å; E396-T398 VanDerWaalsContact O-N 3.12Å
399	T	93.3	Very high	93.6	Very high	78 Å²	78	41.4 Å²	41.4	48%	0.479	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-17.7	-174.9	64	0	0	0	0	113.8	E396 V401	E396-T399 PolarHBondContact O-N 3.49Å; E396-T399 VanDerWaalsContact O-N 3.07Å; E396-T399 PolarHBondContact O-OG1 2.67Å; T399-V401 PolarHBondContact O-N 3.28Å; T399-V401 PolarHBondContact OG1-N 2.92Å
400	G	94.7	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	6	-175.1	0	0	0	0	0	114.1	K354 E396	K354-G400 WeakPolarHBondContact CB-O 3.2Å; K354-G400 WeakPolarHBondContact CG-O 3.35Å; K354-G400 PolarHBondContact N-O 2.98Å; E396-G400 PolarHBondContact O-N 3.19Å
401	V	95	Very high	93.2	Very high	71 Å²	71	49.2 Å²	49.2	43%	0.43	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.2	177.8	178.5	0	0	0	0	109.6	C395 E396 T399	C395-V401 WeakPolarHBondContact CA-O 3.32Å; E396-V401 PolarHBondContact N-O 3.07Å; T399-V401 PolarHBondContact O-N 3.28Å; T399-V401 PolarHBondContact OG1-N 2.92Å
402	C	94.6	Very high	93.1	Very high	23 Å²	23	50.3 Å²	50.3	16%	0.155	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.4	177.1	-62.3	0	0	0	0	110.9	K354 T393 C395	K354-C402 VanDerWaalsContact O-CB 3.25Å; K354-C402 WeakPolarHBondContact O-CB 3.31Å; K354-C402 PolarHBondContact O-SG 3.17Å; T393-C402 HydrophobicContact CG2-CB 4.48Å; C395-C402 HydrophobicContact CB-CB 4.05Å; C395-C402 WeakPolarHBondContact CB-SG 3.28Å; C395-C402 WeakPolarHBondContact SG-CB 3.32Å; C395-C402 CovalentContact SG-SG 2.03Å; C395-C402 PolarHBondContact SG-SG 3.18Å
403	I	91.5	Very high	93.1	Very high	102 Å²	102	49.7 Å²	49.7	52%	0.523	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.4	179	-58.4	175.2	0	0	0	108.2	T393 L394 K405	T393-I403 CarbonylContact C-O 3.52Å; T393-I403 VanDerWaalsContact CA-O 3.24Å; T393-I403 WeakPolarHBondContact CA-O 3.23Å; L394-I403 PolarHBondContact N-O 2.87Å; L394-I403 PolarHBondContact O-N 3.38Å; I403-K405 PolarHBondContact O-N 3.49Å
404	K	91.4	Very high	93.1	Very high	100 Å²	100	50.5 Å²	50.5	44%	0.435	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	131.4	173.1	177.9	165.8	70.5	177.3	0	110	D358 I391 E407	D358-K404 IonicContact OD2-NZ 3.79Å; I391-K404 HydrophobicContact CD1-CD 4.46Å; I391-K404 HydrophobicContact CG2-CB 4.32Å; I391-K404 HydrophobicContact CG2-CD 3.76Å; I391-K404 HydrophobicContact CG2-CG 3.75Å; K404-E407 WeakPolarHBondContact CE-OE2 3.29Å; K404-E407 IonicContact NZ-OE2 2.83Å; K404-E407 PolarHBondContact NZ-OE2 3.11Å
405	K	89.4	Confident	93.1	Very high	46 Å²	46	51.4 Å²	51.4	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-35.6	-178.9	-75.5	-73.6	163	-171.5	0	113.3	L392 L394 I403 F430 S452 D459	L392-K405 PolarHBondContact O-N 2.97Å; L394-K405 HydrophobicContact CB-CG 3.69Å; I403-K405 PolarHBondContact O-N 3.49Å; K405-F430 HydrophobicContact CB-CE1 4.3Å; K405-F430 HydrophobicContact CB-CZ 4.23Å; K405-F430 HydrophobicContact CD-CE1 4.5Å; K405-S452 PolarHBondContact NZ-OG 2.99Å; K405-D459 WeakPolarHBondContact CD-OD2 3.34Å; K405-D459 WeakPolarHBondContact CE-OD2 3.34Å; K405-D459 IonicContact NZ-OD1 3.65Å; K405-D459 PolarHBondContact NZ-OD1 3.2Å; K405-D459 IonicContact NZ-OD2 3.76Å; K405-D459 PolarHBondContact NZ-OD2 2.83Å
406	H	89.6	Confident	93	Very high	23 Å²	23	52.9 Å²	52.9	11%	0.106	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.9	176	180	58.2	0	0	0	110.2	L392 D408 F432	L392-H406 HydrophobicContact CB-CB 4.14Å; L392-H406 HydrophobicContact CD2-CB 4.47Å; L392-H406 PolarHBondContact N-O 3.34Å; L392-H406 PolarHBondContact O-N 2.69Å; L392-H406 VanDerWaalsContact O-N 3.17Å; H406-D408 IonicContact CD2-OD2 2.59Å; H406-D408 PolarHBondContact CD2-OD2 3.41Å; H406-D408 IonicContact CE1-OD1 3.93Å; H406-D408 IonicContact NE2-OD1 3.65Å; H406-D408 PolarHBondContact NE2-OD1 2.69Å; H406-D408 IonicContact NE2-OD2 3.63Å; H406-D408 PolarHBondContact NE2-OD2 3.07Å; H406-F432 HydrophobicContact CB-CZ 4.38Å; H406-F432 AromaticContact CD2-CE2 3.39Å; H406-F432 WeakPolarHBondContact CD2-CE2 3.44Å; H406-F432 AromaticContact CD2-CZ 3.61Å; H406-F432 AromaticContact CG-CE2 3.95Å; H406-F432 AromaticContact CG-CZ 3.67Å; H406-F432 AromaticContact ND1-CZ 3.96Å; H406-F432 AromaticContact NE2-CE2 3.56Å; H406-F432 AromaticContact NE2-CZ 3.83Å
407	E	91.9	Very high	92.9	Very high	71 Å²	71	52.1 Å²	52.1	33%	0.332	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.8	171.8	63.3	-178.4	-119.5	0	0	110.6	R360 S390 I391 K404	R360-E407 IonicContact CZ-OE1 2.74Å; R360-E407 IonicContact CZ-OE2 3.98Å; R360-E407 IonicContact NH1-OE1 2.67Å; R360-E407 PolarHBondContact NH1-OE1 2.73Å; R360-E407 IonicContact NH1-OE2 2.99Å; R360-E407 IonicContact NH2-OE1 3.74Å; R360-E407 PolarHBondContact NH2-OE1 3.23Å; R360-E407 IonicContact NH2-OE2 3.32Å; R360-E407 PolarHBondContact NH2-OE2 2.9Å; S390-E407 WeakPolarHBondContact O-CA 3.47Å; I391-E407 HydrophobicContact CG1-CB 4.35Å; K404-E407 WeakPolarHBondContact CE-OE2 3.29Å; K404-E407 IonicContact NZ-OE2 2.83Å; K404-E407 PolarHBondContact NZ-OE2 3.11Å
408	D	92.8	Very high	92.9	Very high	36 Å²	36	54.4 Å²	54.4	19%	0.193	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.6	171.2	-76.2	-52.7	0	0	0	109.9	S390 H406 L414 R434	S390-D408 PolarHBondContact N-O 3.16Å; S390-D408 PolarHBondContact O-N 3.04Å; H406-D408 IonicContact CD2-OD2 2.59Å; H406-D408 PolarHBondContact CD2-OD2 3.41Å; H406-D408 IonicContact CE1-OD1 3.93Å; H406-D408 IonicContact NE2-OD1 3.65Å; H406-D408 PolarHBondContact NE2-OD1 2.69Å; H406-D408 IonicContact NE2-OD2 3.63Å; H406-D408 PolarHBondContact NE2-OD2 3.07Å; D408-L414 HydrophobicContact CB-CD2 4.04Å; D408-L414 WeakPolarHBondContact O-CD1 3.12Å; D408-R434 IonicContact OD1-NH1 3.77Å
409	E	93.9	Very high	92.9	Very high	128 Å²	128	53.3 Å²	53.3	60%	0.598	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.7	176.3	60.7	171.8	-154.6	0	0	111.2	N388	N388-E409 WeakPolarHBondContact O-CA 3.33Å
410	S	93.8	Very high	92.9	Very high	22 Å²	22	53.3 Å²	53.3	15%	0.154	28%	0.275	C	S	.	.			trans	-145.1	136.2	179.8	-179.8	0	0	0	0	112.1	N388 S412 W413	N388-S410 WeakPolarHBondContact CB-O 3.34Å; N388-S410 PolarHBondContact O-N 2.68Å; S410-S412 PolarHBondContact O-N 2.99Å; S410-S412 PolarHBondContact OG-N 3.1Å; S410-W413 WeakPolarHBondContact CB-O 3.33Å; S410-W413 PolarHBondContact OG-N 3.28Å; S410-W413 PolarHBondContact OG-O 3.08Å
411	N	91.4	Very high	92.9	Very high	171 Å²	171	53.5 Å²	53.5	91%	0.914	28%	0.276	S	S	*	.	S	Bend	trans	-70.8	-4.5	172.5	-65.5	-18.1	0	0	0	113.2
412	S	92.5	Very high	92.9	Very high	24 Å²	24	51.7 Å²	51.7	17%	0.168	26%	0.264	C	S	.	.	S	Bend	trans	-122.9	-82.1	-178.5	-64.1	0	0	0	0	111.4	S410 R659	S410-S412 PolarHBondContact O-N 2.99Å; S410-S412 PolarHBondContact OG-N 3.1Å; S412-R659 PolarHBondContact O-NE 2.68Å; S412-R659 PolarHBondContact O-NH2 3.35Å
413	W	95	Very high	92.8	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	26%	0.262	C	S	.	.			trans	-152	170.9	166	70.2	98.7	0	0	0	109.2	Q387 S410 L655 H656 V658 R659 R734 Y735	Q387-W413 CarbonylContact O-C 3.55Å; Q387-W413 VanDerWaalsContact O-CA 3.26Å; Q387-W413 WeakPolarHBondContact O-CA 3.48Å; S410-W413 WeakPolarHBondContact CB-O 3.33Å; S410-W413 PolarHBondContact OG-N 3.28Å; S410-W413 PolarHBondContact OG-O 3.08Å; W413-L655 HydrophobicContact CH2-CG 4.36Å; W413-L655 VanDerWaalsContact CH2-O 3.29Å; W413-L655 WeakPolarHBondContact CH2-O 3.36Å; W413-L655 HydrophobicContact CZ2-CD1 3.87Å; W413-L655 HydrophobicContact CZ2-CD2 4.36Å; W413-L655 HydrophobicContact CZ2-CG 3.74Å; W413-H656 AromaticContact CD2-CD2 3.88Å; W413-H656 AromaticContact CE2-CD2 3.77Å; W413-H656 AromaticContact CE3-CD2 3.86Å; W413-H656 AromaticContact CH2-CD2 3.74Å; W413-H656 AromaticContact CZ2-CD2 3.71Å; W413-H656 HydrophobicContact CZ3-CB 4.31Å; W413-H656 AromaticContact CZ3-CD2 3.8Å; W413-H656 PolarHBondContact O-CE1 3.27Å; W413-H656 PolarHBondContact O-NE2 2.93Å; W413-V658 HydrophobicContact CH2-CG2 4.08Å; W413-R659 HydrophobicContact CZ3-CB 4.04Å; W413-R734 HydrophobicContact CB-CG 3.95Å; W413-R734 HydrophobicContact CD2-CG 4.41Å; W413-R734 HydrophobicContact CG-CG 3.78Å; W413-Y735 HydrophobicContact CD2-CD1 4.3Å; W413-Y735 HydrophobicContact CD2-CE1 4.37Å; W413-Y735 AromaticContact CE2-CE1 3.74Å; W413-Y735 HydrophobicContact CE3-CD1 4.35Å; W413-Y735 AromaticContact CH2-CD1 3.9Å; W413-Y735 HydrophobicContact CH2-CD1 3.9Å; W413-Y735 HydrophobicContact CH2-CE1 4.08Å; W413-Y735 AromaticContact CZ2-CD1 3.87Å; W413-Y735 HydrophobicContact CZ2-CD1 3.87Å; W413-Y735 AromaticContact CZ2-CE1 3.59Å; W413-Y735 HydrophobicContact CZ2-CE1 3.59Å; W413-Y735 HydrophobicContact CZ3-CD1 4.16Å
414	L	95.5	Very high	92.8	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	24%	0.239	C	C	.	.			trans	-101.6	128.5	172.1	-67.4	170	0	0	0	109.5	L383 Q387 S390 D408 Q417	L383-L414 HydrophobicContact CD1-CB 4.27Å; L383-L414 HydrophobicContact CD1-CD1 3.93Å; Q387-L414 PolarHBondContact O-N 2.87Å; S390-L414 VanDerWaalsContact N-CD1 3.3Å; D408-L414 HydrophobicContact CB-CD2 4.04Å; D408-L414 WeakPolarHBondContact O-CD1 3.12Å; L414-Q417 HydrophobicContact CB-CG 3.76Å
415	H	93.6	Very high	92.5	Very high	41 Å²	41	50.9 Å²	50.9	19%	0.19	26%	0.255	C	S	.	.			trans	-108.7	157.5	-176.4	-179.7	62.7	0	0	0	110.3	Q417 F445 L655	H415-Q417 VanDerWaalsContact C-N 3.33Å; H415-Q417 PolarHBondContact O-N 3.14Å; H415-Q417 PolarHBondContact O-NE2 3.04Å; H415-F445 HydrophobicContact CB-CZ 4.17Å; H415-F445 AromaticContact CD2-CZ 3.89Å; H415-L655 HydrophobicContact CB-CD2 3.92Å; H415-L655 VanDerWaalsContact CD2-CD2 3.49Å; H415-L655 WeakPolarHBondContact CD2-CD2 3.47Å
416	R	92.3	Very high	92.1	Very high	31 Å²	31	52.2 Å²	52.2	12%	0.117	26%	0.264	C	S	.	.			trans	54.6	41.9	179.8	-67.8	165.3	67.3	-162.1	-5.5	114.1	N418 E419 V471 T472	R416-N418 VanDerWaalsContact C-N 3.28Å; R416-N418 PolarHBondContact O-N 3.06Å; R416-E419 HydrophobicContact CB-CG 4.07Å; R416-E419 IonicContact CZ-OE1 2.81Å; R416-E419 IonicContact CZ-OE2 3.27Å; R416-E419 VanDerWaalsContact NE-CD 3.33Å; R416-E419 IonicContact NE-OE1 2.7Å; R416-E419 PolarHBondContact NE-OE1 2.92Å; R416-E419 IonicContact NE-OE2 3.38Å; R416-E419 PolarHBondContact NE-OE2 2.92Å; R416-E419 IonicContact NH2-OE1 3.97Å; R416-E419 PolarHBondContact NH2-OE1 3.15Å; R416-E419 IonicContact NH2-OE2 3.72Å; R416-E419 PolarHBondContact NH2-OE2 3.46Å; R416-E419 PolarHBondContact O-N 3.4Å; R416-V471 VanDerWaalsContact CZ-O 3.29Å; R416-V471 PolarHBondContact NH1-O 2.91Å; R416-V471 PolarHBondContact NH2-O 3.28Å; R416-T472 PolarHBondContact NH2-O 2.94Å; R416-T472 VanDerWaalsContact NH2-O 3.17Å
417	Q	93.8	Very high	91.8	Very high	32 Å²	32	51.9 Å²	51.9	15%	0.15	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.6	-175.1	-63.6	-59.1	-69.7	0	0	114.6	T368 N381 L383 S390 L414 H415	T368-Q417 VanDerWaalsContact CB-O 3.27Å; T368-Q417 WeakPolarHBondContact CB-O 3.34Å; T368-Q417 HydrophobicContact CG2-CB 4.16Å; T368-Q417 PolarHBondContact OG1-O 2.94Å; N381-Q417 PolarHBondContact ND2-O 3.44Å; N381-Q417 VanDerWaalsContact ND2-O 3.13Å; N381-Q417 PolarHBondContact ND2-OE1 3.26Å; L383-Q417 HydrophobicContact CD1-CG 4.33Å; L383-Q417 HydrophobicContact CD2-CB 4.18Å; L383-Q417 HydrophobicContact CD2-CG 4.14Å; S390-Q417 PolarHBondContact OG-OE1 2.76Å; L414-Q417 HydrophobicContact CB-CG 3.76Å; H415-Q417 VanDerWaalsContact C-N 3.33Å; H415-Q417 PolarHBondContact O-N 3.14Å; H415-Q417 PolarHBondContact O-NE2 3.04Å
418	N	93	Very high	91.4	Very high	50 Å²	50	52.7 Å²	52.7	27%	0.267	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.5	174	58.2	-19.6	0	0	0	113.7	Q282 T368 R416 P420	Q282-N418 PolarHBondContact OE1-ND2 3.5Å; T368-N418 VanDerWaalsContact O-CA 3.26Å; T368-N418 WeakPolarHBondContact O-CA 3.01Å; T368-N418 WeakPolarHBondContact O-CB 3.16Å; R416-N418 VanDerWaalsContact C-N 3.28Å; R416-N418 PolarHBondContact O-N 3.06Å; N418-P420 WeakPolarHBondContact O-CD 3.33Å
419	E	92.1	Very high	91.3	Very high	51 Å²	51	53.5 Å²	53.5	24%	0.238	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-70.9	122.4	-175.8	-67.4	-166.1	162.2	0	0	112.5	R416 T433	R416-E419 HydrophobicContact CB-CG 4.07Å; R416-E419 IonicContact CZ-OE1 2.81Å; R416-E419 IonicContact CZ-OE2 3.27Å; R416-E419 VanDerWaalsContact NE-CD 3.33Å; R416-E419 IonicContact NE-OE1 2.7Å; R416-E419 PolarHBondContact NE-OE1 2.92Å; R416-E419 IonicContact NE-OE2 3.38Å; R416-E419 PolarHBondContact NE-OE2 2.92Å; R416-E419 IonicContact NH2-OE1 3.97Å; R416-E419 PolarHBondContact NH2-OE1 3.15Å; R416-E419 IonicContact NH2-OE2 3.72Å; R416-E419 PolarHBondContact NH2-OE2 3.46Å; R416-E419 PolarHBondContact O-N 3.4Å; E419-T433 WeakPolarHBondContact OE2-CB 3.38Å; E419-T433 PolarHBondContact OE2-OG1 2.61Å
420	P	93.8	Very high	91.3	Very high	78 Å²	78	47.7 Å²	47.7	51%	0.506	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-76.4	126.8	-177.3	26.9	-31.6	0	0	0	111.8	M369 K371 N418	M369-P420 HydrophobicContact CG-CB 4.37Å; M369-P420 HydrophobicContact SD-CB 4.43Å; K371-P420 HydrophobicContact CD-CB 3.51Å; N418-P420 WeakPolarHBondContact O-CD 3.33Å
421	P	94.6	Very high	91.3	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.026	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-62.3	148.9	172.1	27.1	-34	0	0	0	110.8	M369 K371 F423 F430 F431 F432	M369-P421 VanDerWaalsContact CE-CD 3.42Å; M369-P421 HydrophobicContact CE-CG 4Å; K371-P421 WeakPolarHBondContact CD-O 3.35Å; K371-P421 WeakPolarHBondContact CE-O 3.27Å; K371-P421 PolarHBondContact NZ-O 3.05Å; P421-F423 HydrophobicContact CB-CE2 4.3Å; P421-F423 HydrophobicContact CB-CZ 4.42Å; P421-F423 HydrophobicContact CG-CE2 3.7Å; P421-F423 HydrophobicContact CG-CZ 3.91Å; P421-F430 HydrophobicContact CB-CD2 4.05Å; P421-F431 CarbonylContact C-O 3.43Å; P421-F431 VanDerWaalsContact CA-O 3.32Å; P421-F431 WeakPolarHBondContact CA-O 3.3Å; P421-F432 HydrophobicContact CB-CB 4.1Å
422	L	95	Very high	91.5	Very high	32 Å²	32	39.3 Å²	39.3	17%	0.168	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.3	174	-179.5	62.5	0	0	0	109.6	F430 F431 I474 A476	L422-F430 CarbonylContact O-C 3.5Å; L422-F430 VanDerWaalsContact O-CA 3.29Å; L422-F430 WeakPolarHBondContact O-CA 3.49Å; L422-F431 HydrophobicContact CB-CB 4.44Å; L422-F431 PolarHBondContact N-O 3.31Å; L422-F431 WeakPolarHBondContact O-CD2 3.37Å; L422-F431 PolarHBondContact O-N 2.87Å; L422-I474 HydrophobicContact CB-CG2 3.99Å; L422-I474 HydrophobicContact CD2-CG2 3.71Å; L422-A476 VanDerWaalsContact CD2-C 3.45Å
423	F	92.9	Very high	91.6	Very high	27 Å²	27	39.3 Å²	39.3	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	145.2	176	-69.5	-82	0	0	0	111.5	A373 A379 L394 P421 F430	A373-F423 HydrophobicContact CB-CD1 3.6Å; A373-F423 HydrophobicContact CB-CD2 3.82Å; A373-F423 HydrophobicContact CB-CE1 3.56Å; A373-F423 HydrophobicContact CB-CE2 3.76Å; A373-F423 HydrophobicContact CB-CG 3.76Å; A373-F423 HydrophobicContact CB-CZ 3.68Å; A379-F423 HydrophobicContact CB-CE2 3.71Å; A379-F423 HydrophobicContact CB-CZ 3.49Å; A379-F423 VanDerWaalsContact CB-CZ 3.49Å; L394-F423 HydrophobicContact CD1-CE1 4.44Å; P421-F423 HydrophobicContact CB-CE2 4.3Å; P421-F423 HydrophobicContact CB-CZ 4.42Å; P421-F423 HydrophobicContact CG-CE2 3.7Å; P421-F423 HydrophobicContact CG-CZ 3.91Å; F423-F430 HydrophobicContact CD1-CB 3.52Å; F423-F430 HydrophobicContact CD1-CG 4.41Å; F423-F430 HydrophobicContact CE1-CB 3.46Å; F423-F430 VanDerWaalsContact CE1-CB 3.46Å; F423-F430 HydrophobicContact CE1-CD1 4.02Å; F423-F430 AromaticContact CE1-CG 3.88Å; F423-F430 HydrophobicContact CE1-CG 3.88Å; F423-F430 HydrophobicContact CG-CB 4.25Å; F423-F430 HydrophobicContact CZ-CB 4.15Å; F423-F430 HydrophobicContact CZ-CG 4.44Å
424	S	90.5	Very high	91.5	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.028	21%	0.207	C	C	.	.			trans	-70.2	155.1	162.3	52.8	0	0	0	0	110.8	D426 G427 K429	S424-D426 WeakPolarHBondContact CB-OD1 3.42Å; S424-D426 PolarHBondContact O-N 2.84Å; S424-D426 PolarHBondContact OG-OD1 2.96Å; S424-D426 VanDerWaalsContact OG-OD1 3.06Å; S424-G427 WeakPolarHBondContact O-CA 3.39Å; S424-G427 PolarHBondContact O-N 2.85Å; S424-K429 WeakPolarHBondContact CB-O 3.48Å; S424-K429 PolarHBondContact N-O 3.46Å; S424-K429 WeakPolarHBondContact OG-CA 3.25Å; S424-K429 WeakPolarHBondContact OG-CB 3.16Å; S424-K429 PolarHBondContact OG-N 3.35Å; S424-K429 PolarHBondContact OG-O 2.98Å
425	K	84.4	Confident	91.5	Very high	177 Å²	177	42.1 Å²	42.1	77%	0.77	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.2	-173.8	-69.4	-179.4	177.8	172.8	0	113.4
426	D	81.9	Confident	91.5	Very high	74 Å²	74	40.9 Å²	40.9	40%	0.396	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13	174.7	56.6	-40.6	0	0	0	113.3	S424 H428	S424-D426 WeakPolarHBondContact CB-OD1 3.42Å; S424-D426 PolarHBondContact O-N 2.84Å; S424-D426 PolarHBondContact OG-OD1 2.96Å; S424-D426 VanDerWaalsContact OG-OD1 3.06Å; D426-H428 PolarHBondContact O-N 3.06Å; D426-H428 WeakPolarHBondContact OD2-CB 3.38Å; D426-H428 IonicContact OD2-CD2 3.91Å; D426-H428 PolarHBondContact OD2-CD2 2.87Å; D426-H428 VanDerWaalsContact OD2-CD2 3.27Å; D426-H428 IonicContact OD2-CG 2.74Å
427	G	83.3	Confident	91.5	Very high	17 Å²	17	43.6 Å²	43.6	18%	0.175	23%	0.228	C	C	.	.	S	Bend	trans	72.7	3.2	178.9	0	0	0	0	0	115	S424	S424-G427 WeakPolarHBondContact O-CA 3.39Å; S424-G427 PolarHBondContact O-N 2.85Å
428	H	84	Confident	91.5	Very high	87 Å²	87	44.1 Å²	44.1	40%	0.403	23%	0.23	S	C	.	.	S	Bend	trans	-78.5	-30.3	179.6	-70.3	-63.6	0	0	0	113.1	D426 S452	D426-H428 PolarHBondContact O-N 3.06Å; D426-H428 WeakPolarHBondContact OD2-CB 3.38Å; D426-H428 IonicContact OD2-CD2 3.91Å; D426-H428 PolarHBondContact OD2-CD2 2.87Å; D426-H428 VanDerWaalsContact OD2-CD2 3.27Å; D426-H428 IonicContact OD2-CG 2.74Å; H428-S452 WeakPolarHBondContact O-CB 3.29Å; H428-S452 PolarHBondContact O-N 3.14Å
429	K	89.8	Confident	91.2	Very high	53 Å²	53	44.7 Å²	44.7	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.9	175.4	-60.2	178.4	-177.1	174.3	0	111.4	S424 V449 S450 T451	S424-K429 WeakPolarHBondContact CB-O 3.48Å; S424-K429 PolarHBondContact N-O 3.46Å; S424-K429 WeakPolarHBondContact OG-CA 3.25Å; S424-K429 WeakPolarHBondContact OG-CB 3.16Å; S424-K429 PolarHBondContact OG-N 3.35Å; S424-K429 PolarHBondContact OG-O 2.98Å; K429-V449 HydrophobicContact CB-CG2 4.45Å; K429-S450 WeakPolarHBondContact CA-O 3.43Å; K429-T451 HydrophobicContact CG-CG2 4.03Å
430	F	93.3	Very high	90.7	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.8	164.9	70	-91.8	0	0	0	112.2	L392 K405 P421 L422 F423 F432 V449 S450	L392-F430 HydrophobicContact CD2-CD2 4.31Å; L392-F430 HydrophobicContact CD2-CE2 3.5Å; L392-F430 VanDerWaalsContact CD2-CE2 3.5Å; L392-F430 HydrophobicContact CD2-CZ 3.83Å; K405-F430 HydrophobicContact CB-CE1 4.3Å; K405-F430 HydrophobicContact CB-CZ 4.23Å; K405-F430 HydrophobicContact CD-CE1 4.5Å; P421-F430 HydrophobicContact CB-CD2 4.05Å; L422-F430 CarbonylContact O-C 3.5Å; L422-F430 VanDerWaalsContact O-CA 3.29Å; L422-F430 WeakPolarHBondContact O-CA 3.49Å; F423-F430 HydrophobicContact CD1-CB 3.52Å; F423-F430 HydrophobicContact CD1-CG 4.41Å; F423-F430 HydrophobicContact CE1-CB 3.46Å; F423-F430 VanDerWaalsContact CE1-CB 3.46Å; F423-F430 HydrophobicContact CE1-CD1 4.02Å; F423-F430 AromaticContact CE1-CG 3.88Å; F423-F430 HydrophobicContact CE1-CG 3.88Å; F423-F430 HydrophobicContact CG-CB 4.25Å; F423-F430 HydrophobicContact CZ-CB 4.15Å; F423-F430 HydrophobicContact CZ-CG 4.44Å; F430-F432 AromaticContact CD2-CD1 3.69Å; F430-F432 HydrophobicContact CD2-CD1 3.69Å; F430-F432 HydrophobicContact CD2-CE1 4.26Å; F430-F432 HydrophobicContact CD2-CG 4.44Å; F430-F432 AromaticContact CE2-CD1 3.46Å; F430-F432 HydrophobicContact CE2-CD1 3.46Å; F430-F432 VanDerWaalsContact CE2-CD1 3.46Å; F430-F432 AromaticContact CE2-CE1 3.64Å; F430-F432 HydrophobicContact CE2-CE1 3.64Å; F430-F432 HydrophobicContact CE2-CG 4.23Å; F430-F432 HydrophobicContact CZ-CE1 4.41Å; F430-V449 WeakPolarHBondContact O-CA 3.44Å; F430-S450 WeakPolarHBondContact CE1-OG 3.39Å; F430-S450 PolarHBondContact N-O 3.11Å; F430-S450 PolarHBondContact O-N 3.34Å
431	F	95.1	Very high	90	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.5	179.8	-52.4	-89.5	0	0	0	109.2	P421 L422 I447 S448 V449 L464 I474 Y477 I484 T503	P421-F431 CarbonylContact C-O 3.43Å; P421-F431 VanDerWaalsContact CA-O 3.32Å; P421-F431 WeakPolarHBondContact CA-O 3.3Å; L422-F431 HydrophobicContact CB-CB 4.44Å; L422-F431 PolarHBondContact N-O 3.31Å; L422-F431 WeakPolarHBondContact O-CD2 3.37Å; L422-F431 PolarHBondContact O-N 2.87Å; F431-I447 HydrophobicContact CB-CG2 4.15Å; F431-I447 HydrophobicContact CD1-CG2 4.38Å; F431-S448 WeakPolarHBondContact CA-O 3.36Å; F431-V449 HydrophobicContact CD1-CB 3.69Å; F431-V449 HydrophobicContact CD1-CG2 3.71Å; F431-V449 HydrophobicContact CE1-CB 3.77Å; F431-V449 HydrophobicContact CE1-CG2 3.46Å; F431-V449 VanDerWaalsContact CE1-CG2 3.46Å; F431-V449 HydrophobicContact CZ-CG2 4.07Å; F431-L464 HydrophobicContact CD1-CD1 3.75Å; F431-L464 HydrophobicContact CE1-CD1 3.83Å; F431-I474 HydrophobicContact CB-CD1 4.27Å; F431-Y477 HydrophobicContact CD2-CD1 4.48Å; F431-Y477 HydrophobicContact CD2-CG 4.26Å; F431-Y477 AromaticContact CE2-CD1 3.55Å; F431-Y477 HydrophobicContact CE2-CD1 3.55Å; F431-Y477 AromaticContact CE2-CD2 3.75Å; F431-Y477 HydrophobicContact CE2-CD2 3.75Å; F431-Y477 AromaticContact CE2-CE1 3.82Å; F431-Y477 HydrophobicContact CE2-CE1 3.82Å; F431-Y477 HydrophobicContact CE2-CE2 4.03Å; F431-Y477 AromaticContact CE2-CG 3.5Å; F431-Y477 HydrophobicContact CE2-CG 3.5Å; F431-Y477 HydrophobicContact CZ-CD1 4.17Å; F431-Y477 AromaticContact CZ-CD2 3.72Å; F431-Y477 HydrophobicContact CZ-CD2 3.72Å; F431-Y477 HydrophobicContact CZ-CE1 4.09Å; F431-Y477 AromaticContact CZ-CE2 3.66Å; F431-Y477 HydrophobicContact CZ-CE2 3.66Å; F431-Y477 AromaticContact CZ-CG 3.99Å; F431-Y477 HydrophobicContact CZ-CG 3.99Å; F431-Y477 AromaticContact CZ-CZ 3.84Å; F431-I484 HydrophobicContact CB-CD1 3.6Å; F431-I484 HydrophobicContact CD1-CD1 3.56Å; F431-I484 HydrophobicContact CD2-CD1 4.05Å; F431-I484 HydrophobicContact CE1-CD1 4.23Å; F431-I484 HydrophobicContact CG-CD1 3.46Å; F431-I484 VanDerWaalsContact CG-CD1 3.46Å; F431-T503 HydrophobicContact CE1-CG2 3.76Å; F431-T503 HydrophobicContact CZ-CG2 4.01Å
432	F	95.2	Very high	89.8	Confident	17 Å²	17	51.1 Å²	51.1	8%	0.075	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.6	-178.7	68.2	-75.1	0	0	0	111.2	H406 P421 F430 R434 I447 S448 L461	H406-F432 HydrophobicContact CB-CZ 4.38Å; H406-F432 AromaticContact CD2-CE2 3.39Å; H406-F432 WeakPolarHBondContact CD2-CE2 3.44Å; H406-F432 AromaticContact CD2-CZ 3.61Å; H406-F432 AromaticContact CG-CE2 3.95Å; H406-F432 AromaticContact CG-CZ 3.67Å; H406-F432 AromaticContact ND1-CZ 3.96Å; H406-F432 AromaticContact NE2-CE2 3.56Å; H406-F432 AromaticContact NE2-CZ 3.83Å; P421-F432 HydrophobicContact CB-CB 4.1Å; F430-F432 AromaticContact CD2-CD1 3.69Å; F430-F432 HydrophobicContact CD2-CD1 3.69Å; F430-F432 HydrophobicContact CD2-CE1 4.26Å; F430-F432 HydrophobicContact CD2-CG 4.44Å; F430-F432 AromaticContact CE2-CD1 3.46Å; F430-F432 HydrophobicContact CE2-CD1 3.46Å; F430-F432 VanDerWaalsContact CE2-CD1 3.46Å; F430-F432 AromaticContact CE2-CE1 3.64Å; F430-F432 HydrophobicContact CE2-CE1 3.64Å; F430-F432 HydrophobicContact CE2-CG 4.23Å; F430-F432 HydrophobicContact CZ-CE1 4.41Å; F432-R434 HydrophobicContact CD2-CB 4.25Å; F432-R434 HydrophobicContact CE2-CB 4Å; F432-R434 HydrophobicContact CE2-CG 4.23Å; F432-I447 WeakPolarHBondContact O-CA 3.35Å; F432-S448 WeakPolarHBondContact CD1-O 3.3Å; F432-S448 PolarHBondContact N-O 3.34Å; F432-S448 PolarHBondContact O-N 3.1Å; F432-L461 HydrophobicContact CE1-CD1 3.71Å; F432-L461 HydrophobicContact CZ-CD1 3.71Å
433	T	94.8	Very high	89.8	Confident	24 Å²	24	53.7 Å²	53.7	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.1	174.9	35.2	0	0	0	0	109.7	E419 V471 I474	E419-T433 WeakPolarHBondContact OE2-CB 3.38Å; E419-T433 PolarHBondContact OE2-OG1 2.61Å; T433-V471 HydrophobicContact CG2-CB 4.17Å; T433-V471 HydrophobicContact CG2-CG1 3.8Å; T433-I474 HydrophobicContact CG2-CD1 4.16Å; T433-I474 HydrophobicContact CG2-CG1 4.16Å
434	R	93.2	Very high	89.9	Confident	54 Å²	54	53 Å²	53	20%	0.204	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160.2	170.4	75.7	-174.9	-164.5	119.7	-0.4	112	D408 F432 I436 F445 H446 S448	D408-R434 IonicContact OD1-NH1 3.77Å; F432-R434 HydrophobicContact CD2-CB 4.25Å; F432-R434 HydrophobicContact CE2-CB 4Å; F432-R434 HydrophobicContact CE2-CG 4.23Å; R434-I436 HydrophobicContact CG-CD1 4.24Å; R434-I436 HydrophobicContact CG-CG1 3.87Å; R434-I436 WeakPolarHBondContact O-CG1 3.29Å; R434-I436 PolarHBondContact O-N 2.86Å; R434-F445 WeakPolarHBondContact O-CA 3.25Å; R434-H446 PolarHBondContact N-O 2.79Å; R434-H446 PolarHBondContact O-N 2.94Å; R434-S448 WeakPolarHBondContact CD-OG 3.44Å; R434-S448 WeakPolarHBondContact CG-OG 3.42Å; R434-S448 PolarHBondContact NE-OG 3.08Å
435	A	94.3	Very high	90.2	Very high	25 Å²	25	53.5 Å²	53.5	21%	0.207	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	107.3	179.8	0	0	0	0	0	111.8	K443 F444 F445 T652	A435-K443 HydrophobicContact CB-CB 3.97Å; A435-K443 HydrophobicContact CB-CD 4.21Å; A435-F444 CarbonylContact C-O 3.58Å; A435-F444 WeakPolarHBondContact CA-O 3.3Å; A435-F445 HydrophobicContact CB-CE1 4.32Å; A435-F445 HydrophobicContact CB-CZ 4.43Å; A435-T652 HydrophobicContact CB-CG2 3.59Å
436	I	93.7	Very high	90.8	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.077	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135	-176.7	-46.2	-172.4	0	0	0	109.8	R434 K443 F444 H446 S448 S463	R434-I436 HydrophobicContact CG-CD1 4.24Å; R434-I436 HydrophobicContact CG-CG1 3.87Å; R434-I436 WeakPolarHBondContact O-CG1 3.29Å; R434-I436 PolarHBondContact O-N 2.86Å; I436-K443 CarbonylContact O-C 3.5Å; I436-K443 WeakPolarHBondContact O-CA 3.3Å; I436-F444 PolarHBondContact N-O 3.42Å; I436-F444 PolarHBondContact O-N 3.48Å; I436-H446 HydrophobicContact CD1-CB 3.66Å; I436-H446 HydrophobicContact CG1-CB 4.07Å; I436-S448 WeakPolarHBondContact CD1-OG 3.2Å; I436-S463 WeakPolarHBondContact CD1-OG 3.29Å
437	P	93.9	Very high	91.5	Very high	87 Å²	87	41.6 Å²	41.6	57%	0.565	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58	134.7	175.1	-23.3	33.5	0	0	0	113.2	K443	P437-K443 HydrophobicContact CG-CG 4.22Å
438	Q	92.5	Very high	92	Very high	44 Å²	44	40.8 Å²	40.8	21%	0.206	24%	0.238	C	C	.	.			trans	-125.9	40.6	178.9	-59.3	-64.2	-32.2	0	0	110.8	G442 F444 H446 G467	Q438-G442 PolarHBondContact N-O 3.22Å; Q438-F444 HydrophobicContact CB-CD2 3.93Å; Q438-F444 HydrophobicContact CB-CE2 4.49Å; Q438-F444 HydrophobicContact CG-CB 4.12Å; Q438-F444 HydrophobicContact CG-CD2 3.83Å; Q438-F444 HydrophobicContact CG-CG 4.39Å; Q438-H446 PolarHBondContact NE2-CD2 2.86Å; Q438-H446 VanDerWaalsContact NE2-CD2 3.33Å; Q438-G467 WeakPolarHBondContact CG-O 3.48Å
439	G	87.4	Confident	92.5	Very high	62 Å²	62	37.2 Å²	37.2	64%	0.639	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	72.4	-143.9	-175.6	0	0	0	0	0	113.2	R441 G442	G439-R441 PolarHBondContact O-N 3.42Å; G439-R441 VanDerWaalsContact O-N 3.13Å; G439-G442 PolarHBondContact O-N 2.83Å; G439-G442 VanDerWaalsContact O-N 3.16Å
440	G	80.8	Confident	92.6	Very high	87 Å²	87	34.9 Å²	34.9	90%	0.897	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-63.4	-19.2	-168.1	0	0	0	0	0	116.3	G442	G440-G442 VanDerWaalsContact C-N 3.31Å; G440-G442 PolarHBondContact O-N 3.05Å
441	R	80.3	Confident	92.3	Very high	158 Å²	158	36.1 Å²	36.1	60%	0.596	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-81	-7.3	178.2	-71.7	-173.7	170.1	-170.1	-2.7	114	G439 F444 N468 N653	G439-R441 PolarHBondContact O-N 3.42Å; G439-R441 VanDerWaalsContact O-N 3.13Å; R441-F444 HydrophobicContact CB-CE2 4.02Å; R441-F444 HydrophobicContact CB-CZ 4.49Å; R441-N468 WeakPolarHBondContact CD-OD1 3.43Å; R441-N653 WeakPolarHBondContact O-CB 3.39Å; R441-N653 PolarHBondContact O-ND2 2.9Å
442	G	89.2	Confident	91.5	Very high	22 Å²	22	37.5 Å²	37.5	23%	0.227	23%	0.23	C	C	.	.			trans	106.7	-139.9	176.7	0	0	0	0	0	112.8	Q438 G439 G440	Q438-G442 PolarHBondContact N-O 3.22Å; G439-G442 PolarHBondContact O-N 2.83Å; G439-G442 VanDerWaalsContact O-N 3.16Å; G440-G442 VanDerWaalsContact C-N 3.31Å; G440-G442 PolarHBondContact O-N 3.05Å
443	K	94.8	Very high	90.3	Very high	87 Å²	87	40.2 Å²	40.2	38%	0.378	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.9	178.6	-50.9	-176.2	179.5	-175.3	0	111	A435 I436 P437 G651 T652	A435-K443 HydrophobicContact CB-CB 3.97Å; A435-K443 HydrophobicContact CB-CD 4.21Å; I436-K443 CarbonylContact O-C 3.5Å; I436-K443 WeakPolarHBondContact O-CA 3.3Å; P437-K443 HydrophobicContact CG-CG 4.22Å; K443-G651 CarbonylContact O-C 3.53Å; K443-G651 WeakPolarHBondContact O-CA 3.35Å; K443-T652 HydrophobicContact CB-CG2 4.3Å; K443-T652 PolarHBondContact O-N 2.82Å; K443-T652 PolarHBondContact O-OG1 3.09Å
444	F	96.4	Very high	88.5	Confident	12 Å²	12	43.4 Å²	43.4	5%	0.053	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.4	175.7	-72.8	-97.1	0	0	0	110.3	A435 I436 Q438 R441 H446 N468 W469 D470 Q650 G651	A435-F444 CarbonylContact C-O 3.58Å; A435-F444 WeakPolarHBondContact CA-O 3.3Å; I436-F444 PolarHBondContact N-O 3.42Å; I436-F444 PolarHBondContact O-N 3.48Å; Q438-F444 HydrophobicContact CB-CD2 3.93Å; Q438-F444 HydrophobicContact CB-CE2 4.49Å; Q438-F444 HydrophobicContact CG-CB 4.12Å; Q438-F444 HydrophobicContact CG-CD2 3.83Å; Q438-F444 HydrophobicContact CG-CG 4.39Å; R441-F444 HydrophobicContact CB-CE2 4.02Å; R441-F444 HydrophobicContact CB-CZ 4.49Å; F444-H446 WeakPolarHBondContact CB-NE2 3.24Å; F444-H446 AromaticContact CG-NE2 3.74Å; F444-H446 PolarHBondContact O-CD2 3.41Å; F444-H446 PolarHBondContact O-N 2.68Å; F444-N468 HydrophobicContact CE1-CB 4.49Å; F444-N468 HydrophobicContact CE2-CB 4.2Å; F444-N468 HydrophobicContact CZ-CB 4Å; F444-W469 WeakPolarHBondContact CB-O 3.49Å; F444-W469 VanDerWaalsContact CD1-N 3.34Å; F444-D470 WeakPolarHBondContact CA-OD1 3.23Å; F444-D470 WeakPolarHBondContact CD1-OD1 3.42Å; F444-Q650 VanDerWaalsContact CE1-C 3.48Å; F444-G651 VanDerWaalsContact CD1-CA 3.48Å
445	F	96.5	Very high	86.7	Confident	15 Å²	15	49.1 Å²	49.1	7%	0.066	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	112.3	179.6	-71.2	-87.5	0	0	0	110.2	H415 R434 A435 D470 V471 T652	H415-F445 HydrophobicContact CB-CZ 4.17Å; H415-F445 AromaticContact CD2-CZ 3.89Å; R434-F445 WeakPolarHBondContact O-CA 3.25Å; A435-F445 HydrophobicContact CB-CE1 4.32Å; A435-F445 HydrophobicContact CB-CZ 4.43Å; F445-D470 HydrophobicContact CB-CB 4.29Å; F445-D470 PolarHBondContact N-OD1 3.38Å; F445-V471 WeakPolarHBondContact O-CB 3.23Å; F445-V471 PolarHBondContact O-N 3.08Å; F445-T652 HydrophobicContact CE2-CG2 3.76Å; F445-T652 HydrophobicContact CZ-CG2 4.05Å
446	H	96.8	Very high	85	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.5	-177.4	-79.7	-64.2	0	0	0	111	R434 I436 Q438 F444 S448 T465 S466 G467 W469	R434-H446 PolarHBondContact N-O 2.79Å; R434-H446 PolarHBondContact O-N 2.94Å; I436-H446 HydrophobicContact CD1-CB 3.66Å; I436-H446 HydrophobicContact CG1-CB 4.07Å; Q438-H446 PolarHBondContact NE2-CD2 2.86Å; Q438-H446 VanDerWaalsContact NE2-CD2 3.33Å; F444-H446 WeakPolarHBondContact CB-NE2 3.24Å; F444-H446 AromaticContact CG-NE2 3.74Å; F444-H446 PolarHBondContact O-CD2 3.41Å; F444-H446 PolarHBondContact O-N 2.68Å; H446-S448 PolarHBondContact O-N 2.77Å; H446-T465 WeakPolarHBondContact CA-OG1 3.26Å; H446-T465 WeakPolarHBondContact CB-O 3.29Å; H446-T465 VanDerWaalsContact CB-OG1 3.25Å; H446-T465 WeakPolarHBondContact CB-OG1 3.1Å; H446-T465 WeakPolarHBondContact ND1-CB 3.24Å; H446-T465 PolarHBondContact ND1-OG1 3.1Å; H446-S466 VanDerWaalsContact CE1-C 3.44Å; H446-G467 PolarHBondContact NE2-N 3.48Å; H446-G467 PolarHBondContact NE2-O 3.39Å; H446-W469 AromaticContact CE1-CD2 2.81Å; H446-W469 AromaticContact CE1-CE2 2.85Å; H446-W469 AromaticContact CE1-CE3 2.93Å; H446-W469 AromaticContact CE1-CG 3.65Å; H446-W469 AromaticContact CE1-CH2 3.16Å; H446-W469 WeakPolarHBondContact CE1-CH2 3.39Å; H446-W469 AromaticContact CE1-CZ2 3.01Å; H446-W469 WeakPolarHBondContact CE1-CZ2 3.2Å; H446-W469 AromaticContact CE1-CZ3 3.12Å; H446-W469 WeakPolarHBondContact CE1-CZ3 3.47Å; H446-W469 AromaticContact CE1-NE1 3.68Å; H446-W469 PolarHBondContact CE1-O 3.21Å; H446-W469 AromaticContact ND1-CH2 3.92Å; H446-W469 AromaticContact ND1-CZ3 3.94Å; H446-W469 PolarHBondContact NE2-O 3.03Å
447	I	96.8	Very high	83.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	123	177.4	-58.6	166	0	0	0	108.7	F431 F432 S463 L464 T465 V471 I474 I484 F486	F431-I447 HydrophobicContact CB-CG2 4.15Å; F431-I447 HydrophobicContact CD1-CG2 4.38Å; F432-I447 WeakPolarHBondContact O-CA 3.35Å; I447-S463 CarbonylContact O-C 3.6Å; I447-L464 HydrophobicContact CB-CB 4.32Å; I447-L464 HydrophobicContact CG2-CB 4.4Å; I447-L464 HydrophobicContact CG2-CD1 3.91Å; I447-L464 HydrophobicContact CG2-CG 4.36Å; I447-L464 PolarHBondContact O-N 2.85Å; I447-T465 HydrophobicContact CB-CG2 4.48Å; I447-T465 HydrophobicContact CD1-CG2 4.27Å; I447-T465 PolarHBondContact N-OG1 2.61Å; I447-V471 HydrophobicContact CD1-CG1 4.32Å; I447-V471 HydrophobicContact CG1-CB 4.49Å; I447-V471 HydrophobicContact CG1-CG1 3.92Å; I447-V471 HydrophobicContact CG1-CG2 4.11Å; I447-I474 HydrophobicContact CD1-CG1 4.27Å; I447-I474 HydrophobicContact CG1-CD1 3.93Å; I447-I474 HydrophobicContact CG1-CG1 3.99Å; I447-I474 HydrophobicContact CG2-CD1 4.06Å; I447-I484 HydrophobicContact CD1-CD1 4.24Å; I447-I484 HydrophobicContact CD1-CG1 4.38Å; I447-I484 HydrophobicContact CD1-CG2 4.42Å; I447-I484 HydrophobicContact CG2-CD1 4.12Å; I447-F486 HydrophobicContact CD1-CB 3.89Å; I447-F486 HydrophobicContact CD1-CD1 3.53Å; I447-F486 HydrophobicContact CD1-CD2 4.2Å; I447-F486 HydrophobicContact CD1-CE1 4.07Å; I447-F486 HydrophobicContact CD1-CG 3.61Å
448	S	94.4	Very high	82.3	Confident	0 Å²	0	57 Å²	57	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	143.2	162.3	-61.4	0	0	0	0	109.8	F431 F432 R434 I436 H446 H462	F431-S448 WeakPolarHBondContact CA-O 3.36Å; F432-S448 WeakPolarHBondContact CD1-O 3.3Å; F432-S448 PolarHBondContact N-O 3.34Å; F432-S448 PolarHBondContact O-N 3.1Å; R434-S448 WeakPolarHBondContact CD-OG 3.44Å; R434-S448 WeakPolarHBondContact CG-OG 3.42Å; R434-S448 PolarHBondContact NE-OG 3.08Å; I436-S448 WeakPolarHBondContact CD1-OG 3.2Å; H446-S448 PolarHBondContact O-N 2.77Å; S448-H462 CarbonylContact C-O 3.56Å; S448-H462 VanDerWaalsContact CA-O 3.28Å; S448-H462 WeakPolarHBondContact CA-O 3.37Å
449	V	93.1	Very high	81.5	Confident	13 Å²	13	56.4 Å²	56.4	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.9	168.2	62	0	0	0	0	109	K429 F430 F431 L461 H462 L464	K429-V449 HydrophobicContact CB-CG2 4.45Å; F430-V449 WeakPolarHBondContact O-CA 3.44Å; F431-V449 HydrophobicContact CD1-CB 3.69Å; F431-V449 HydrophobicContact CD1-CG2 3.71Å; F431-V449 HydrophobicContact CE1-CB 3.77Å; F431-V449 HydrophobicContact CE1-CG2 3.46Å; F431-V449 VanDerWaalsContact CE1-CG2 3.46Å; F431-V449 HydrophobicContact CZ-CG2 4.07Å; V449-L461 WeakPolarHBondContact O-CA 3.43Å; V449-H462 HydrophobicContact CG1-CB 4.1Å; V449-H462 PolarHBondContact N-O 3.22Å; V449-H462 PolarHBondContact O-N 3.47Å; V449-L464 HydrophobicContact CB-CD1 4.42Å; V449-L464 HydrophobicContact CB-CG 4.43Å; V449-L464 HydrophobicContact CG1-CD2 3.91Å; V449-L464 HydrophobicContact CG1-CG 4.18Å
450	S	91.3	Very high	81.4	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.2	165.1	-178.8	0	0	0	0	108.8	K429 F430 D459 I460	K429-S450 WeakPolarHBondContact CA-O 3.43Å; F430-S450 WeakPolarHBondContact CE1-OG 3.39Å; F430-S450 PolarHBondContact N-O 3.11Å; F430-S450 PolarHBondContact O-N 3.34Å; S450-D459 WeakPolarHBondContact OG-CB 3.38Å; S450-I460 WeakPolarHBondContact CA-O 3.49Å
451	T	87.3	Confident	81.7	Confident	33 Å²	33	57.4 Å²	57.4	20%	0.202	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.7	177.4	-58.2	0	0	0	0	109.9	K429 D459 I460	K429-T451 HydrophobicContact CG-CG2 4.03Å; T451-D459 WeakPolarHBondContact O-CA 3.45Å; T451-I460 PolarHBondContact N-O 2.75Å; T451-I460 PolarHBondContact O-N 3.14Å
452	S	79.2	Confident	82.1	Confident	29 Å²	29	53.5 Å²	53.5	20%	0.203	31%	0.307	C	S	.	.			trans	-89.6	106.3	175	-152.4	0	0	0	0	109.9	K405 H428 D459	K405-S452 PolarHBondContact NZ-OG 2.99Å; H428-S452 WeakPolarHBondContact O-CB 3.29Å; H428-S452 PolarHBondContact O-N 3.14Å; S452-D459 VanDerWaalsContact CA-OD1 3.24Å; S452-D459 WeakPolarHBondContact CA-OD1 3.47Å; S452-D459 WeakPolarHBondContact CB-OD1 3.48Å; S452-D459 PolarHBondContact OG-OD1 3.13Å
453	L	69.7	Low	82.2	Confident	74 Å²	74	54.5 Å²	54.5	39%	0.387	31%	0.31	S	S	.	.			trans	-80.2	140.2	178.6	-72.1	169.7	0	0	0	110.6	N455 I460	L453-N455 PolarHBondContact O-N 2.91Å; L453-I460 HydrophobicContact CD1-CD1 3.63Å; L453-I460 HydrophobicContact CD1-CG1 4.29Å
454	P	57.6	Low	82.1	Confident	92 Å²	92	50.6 Å²	50.6	60%	0.597	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	133.8	165.3	-21	32.7	0	0	0	110.1
455	N	54.7	Low	82.1	Confident	174 Å²	174	50 Å²	50	93%	0.93	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	7	175.4	-44	-38.5	0	0	0	117.7	L453	L453-N455 PolarHBondContact O-N 2.91Å
456	T	59.3	Low	82	Confident	66 Å²	66	52.3 Å²	52.3	41%	0.405	31%	0.309	S	S	.	.			trans	-112.9	143.6	165.3	62.1	0	0	0	0	111.6	T458	T456-T458 VanDerWaalsContact C-N 3.29Å; T456-T458 PolarHBondContact OG1-O 3.47Å
457	S	62.1	Low	81.9	Confident	127 Å²	127	53.2 Å²	53.2	89%	0.888	32%	0.318	S	S	*	.	S	Bend	trans	-79.6	-13.1	175.4	52	0	0	0	0	113.4
458	T	68.2	Low	81.8	Confident	98 Å²	98	57.1 Å²	57.1	60%	0.601	34%	0.339	S	S	*	.	S	Bend	trans	-107.6	136	178.6	49.2	0	0	0	0	110.8	T456	T456-T458 VanDerWaalsContact C-N 3.29Å; T456-T458 PolarHBondContact OG1-O 3.47Å
459	D	75.8	Confident	81.8	Confident	33 Å²	33	58 Å²	58	18%	0.176	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-89.4	147.5	170.9	-63.4	-14.5	0	0	0	110.1	K405 S450 T451 S452	K405-D459 WeakPolarHBondContact CD-OD2 3.34Å; K405-D459 WeakPolarHBondContact CE-OD2 3.34Å; K405-D459 IonicContact NZ-OD1 3.65Å; K405-D459 PolarHBondContact NZ-OD1 3.2Å; K405-D459 IonicContact NZ-OD2 3.76Å; K405-D459 PolarHBondContact NZ-OD2 2.83Å; S450-D459 WeakPolarHBondContact OG-CB 3.38Å; T451-D459 WeakPolarHBondContact O-CA 3.45Å; S452-D459 VanDerWaalsContact CA-OD1 3.24Å; S452-D459 WeakPolarHBondContact CA-OD1 3.47Å; S452-D459 WeakPolarHBondContact CB-OD1 3.48Å; S452-D459 PolarHBondContact OG-OD1 3.13Å
460	I	84.6	Confident	82	Confident	101 Å²	101	57.5 Å²	57.5	52%	0.518	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119	176.9	-59.9	178.9	0	0	0	109.3	S450 T451 L453	S450-I460 WeakPolarHBondContact CA-O 3.49Å; T451-I460 PolarHBondContact N-O 2.75Å; T451-I460 PolarHBondContact O-N 3.14Å; L453-I460 HydrophobicContact CD1-CD1 3.63Å; L453-I460 HydrophobicContact CD1-CG1 4.29Å
461	L	86.9	Confident	82.3	Confident	68 Å²	68	57.4 Å²	57.4	36%	0.356	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.8	178	-174.3	68.6	0	0	0	111.3	F432 V449	F432-L461 HydrophobicContact CE1-CD1 3.71Å; F432-L461 HydrophobicContact CZ-CD1 3.71Å; V449-L461 WeakPolarHBondContact O-CA 3.43Å
462	H	88.8	Confident	82.7	Confident	77 Å²	77	56.7 Å²	56.7	36%	0.356	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.6	178.3	175.1	-89	0	0	0	111.9	S448 V449 F507	S448-H462 CarbonylContact C-O 3.56Å; S448-H462 VanDerWaalsContact CA-O 3.28Å; S448-H462 WeakPolarHBondContact CA-O 3.37Å; V449-H462 HydrophobicContact CG1-CB 4.1Å; V449-H462 PolarHBondContact N-O 3.22Å; V449-H462 PolarHBondContact O-N 3.47Å; H462-F507 AromaticContact CE1-CE1 3.64Å; H462-F507 AromaticContact CE1-CE2 3.37Å; H462-F507 WeakPolarHBondContact CE1-CE2 3.34Å; H462-F507 AromaticContact CE1-CZ 3.1Å; H462-F507 WeakPolarHBondContact CE1-CZ 3.45Å; H462-F507 AromaticContact ND1-CZ 3.81Å; H462-F507 AromaticContact NE2-CE2 3.69Å; H462-F507 AromaticContact NE2-CZ 3.67Å
463	S	92.1	Very high	83.5	Confident	42 Å²	42	57.5 Å²	57.5	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.8	-179	-46.1	0	0	0	0	111.2	I436 I447	I436-S463 WeakPolarHBondContact CD1-OG 3.29Å; I447-S463 CarbonylContact O-C 3.6Å
464	L	93.3	Very high	84.8	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	33%	0.329	C	S	.	.			trans	-80.5	-29	-179.2	-60.4	-176.5	0	0	0	113.5	F431 I447 V449 I484 T503 F507	F431-L464 HydrophobicContact CD1-CD1 3.75Å; F431-L464 HydrophobicContact CE1-CD1 3.83Å; I447-L464 HydrophobicContact CB-CB 4.32Å; I447-L464 HydrophobicContact CG2-CB 4.4Å; I447-L464 HydrophobicContact CG2-CD1 3.91Å; I447-L464 HydrophobicContact CG2-CG 4.36Å; I447-L464 PolarHBondContact O-N 2.85Å; V449-L464 HydrophobicContact CB-CD1 4.42Å; V449-L464 HydrophobicContact CB-CG 4.43Å; V449-L464 HydrophobicContact CG1-CD2 3.91Å; V449-L464 HydrophobicContact CG1-CG 4.18Å; L464-I484 HydrophobicContact CD1-CG2 4.13Å; L464-T503 HydrophobicContact CD1-CG2 4.03Å; L464-F507 HydrophobicContact CD2-CD1 3.75Å; L464-F507 HydrophobicContact CD2-CE1 3.66Å
465	T	95.2	Very high	86.7	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	31%	0.31	C	S	.	.			trans	-124.4	153.2	-176.8	63.7	0	0	0	0	111.7	H446 I447 W469 F486	H446-T465 WeakPolarHBondContact CA-OG1 3.26Å; H446-T465 WeakPolarHBondContact CB-O 3.29Å; H446-T465 VanDerWaalsContact CB-OG1 3.25Å; H446-T465 WeakPolarHBondContact CB-OG1 3.1Å; H446-T465 WeakPolarHBondContact ND1-CB 3.24Å; H446-T465 PolarHBondContact ND1-OG1 3.1Å; I447-T465 HydrophobicContact CB-CG2 4.48Å; I447-T465 HydrophobicContact CD1-CG2 4.27Å; I447-T465 PolarHBondContact N-OG1 2.61Å; T465-W469 HydrophobicContact CG2-CH2 4.21Å; T465-F486 HydrophobicContact CG2-CE1 4.4Å; T465-F486 HydrophobicContact CG2-CE2 4.43Å; T465-F486 HydrophobicContact CG2-CZ 3.96Å
466	S	94.7	Very high	88.6	Confident	63 Å²	63	44.9 Å²	44.9	44%	0.441	27%	0.268	S	S	.	.			trans	-155.6	154.7	178.2	57.4	0	0	0	0	110.6	H446 W469	H446-S466 VanDerWaalsContact CE1-C 3.44Å; S466-W469 WeakPolarHBondContact O-CZ2 3.23Å
467	G	94.6	Very high	90.3	Very high	19 Å²	19	42.6 Å²	42.6	20%	0.196	25%	0.252	C	S	.	.	S	Bend	trans	140.7	170.1	-175.8	0	0	0	0	0	113.4	Q438 H446 W469	Q438-G467 WeakPolarHBondContact CG-O 3.48Å; H446-G467 PolarHBondContact NE2-N 3.48Å; H446-G467 PolarHBondContact NE2-O 3.39Å; G467-W469 PolarHBondContact O-N 2.97Å; G467-W469 VanDerWaalsContact O-N 3.1Å
468	N	94.9	Very high	91.7	Very high	81 Å²	81	38.8 Å²	38.8	43%	0.433	22%	0.218	S	C	.	.	S	Bend	trans	-86.3	49.8	179.7	-64.9	-58.4	0	0	0	112	R441 F444	R441-N468 WeakPolarHBondContact CD-OD1 3.43Å; F444-N468 HydrophobicContact CE1-CB 4.49Å; F444-N468 HydrophobicContact CE2-CB 4.2Å; F444-N468 HydrophobicContact CZ-CB 4Å
469	W	95.4	Very high	92.7	Very high	20 Å²	20	38.2 Å²	38.2	8%	0.076	21%	0.208	C	C	.	.	S	Bend	trans	-153.4	159.7	-176.3	52.1	-103.5	0	0	0	109.3	F444 H446 T465 S466 G467 V471 F486 E490	F444-W469 WeakPolarHBondContact CB-O 3.49Å; F444-W469 VanDerWaalsContact CD1-N 3.34Å; H446-W469 AromaticContact CE1-CD2 2.81Å; H446-W469 AromaticContact CE1-CE2 2.85Å; H446-W469 AromaticContact CE1-CE3 2.93Å; H446-W469 AromaticContact CE1-CG 3.65Å; H446-W469 AromaticContact CE1-CH2 3.16Å; H446-W469 WeakPolarHBondContact CE1-CH2 3.39Å; H446-W469 AromaticContact CE1-CZ2 3.01Å; H446-W469 WeakPolarHBondContact CE1-CZ2 3.2Å; H446-W469 AromaticContact CE1-CZ3 3.12Å; H446-W469 WeakPolarHBondContact CE1-CZ3 3.47Å; H446-W469 AromaticContact CE1-NE1 3.68Å; H446-W469 PolarHBondContact CE1-O 3.21Å; H446-W469 AromaticContact ND1-CH2 3.92Å; H446-W469 AromaticContact ND1-CZ3 3.94Å; H446-W469 PolarHBondContact NE2-O 3.03Å; T465-W469 HydrophobicContact CG2-CH2 4.21Å; S466-W469 WeakPolarHBondContact O-CZ2 3.23Å; G467-W469 PolarHBondContact O-N 2.97Å; G467-W469 VanDerWaalsContact O-N 3.1Å; W469-V471 HydrophobicContact CE3-CG2 4.44Å; W469-V471 HydrophobicContact CH2-CG2 4.27Å; W469-V471 HydrophobicContact CZ3-CG2 3.56Å; W469-F486 HydrophobicContact CH2-CE2 4.2Å; W469-F486 HydrophobicContact CZ3-CE2 4.21Å; W469-E490 HydrophobicContact CB-CB 4.47Å; W469-E490 HydrophobicContact CD2-CB 3.64Å; W469-E490 HydrophobicContact CD2-CG 4.08Å; W469-E490 HydrophobicContact CE3-CB 4.03Å; W469-E490 HydrophobicContact CG-CB 3.82Å; W469-E490 HydrophobicContact CG-CG 4.17Å; W469-E490 HydrophobicContact CZ2-CB 4.3Å; W469-E490 HydrophobicContact CZ2-CG 4.18Å; W469-E490 WeakPolarHBondContact CZ2-OE1 3.16Å; W469-E490 WeakPolarHBondContact CZ2-OE2 3.49Å; W469-E490 HydrophobicContact CZ3-CB 4.47Å; W469-E490 VanDerWaalsContact NE1-CD 3.34Å; W469-E490 PolarHBondContact NE1-OE1 2.82Å
470	D	96.9	Very high	93.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.011	23%	0.227	C	C	.	.			trans	-108.5	134.6	-174.7	-72.9	-40.7	0	0	0	112	F444 F445 S488 T489 F649 Q650 G651	F444-D470 WeakPolarHBondContact CA-OD1 3.23Å; F444-D470 WeakPolarHBondContact CD1-OD1 3.42Å; F445-D470 HydrophobicContact CB-CB 4.29Å; F445-D470 PolarHBondContact N-OD1 3.38Å; D470-S488 WeakPolarHBondContact O-CA 3.48Å; D470-T489 PolarHBondContact N-OG1 2.78Å; D470-T489 PolarHBondContact O-N 2.99Å; D470-T489 PolarHBondContact O-OG1 3.17Å; D470-F649 WeakPolarHBondContact OD2-CA 3.46Å; D470-Q650 PolarHBondContact OD2-N 3.44Å; D470-G651 PolarHBondContact OD2-N 2.94Å
471	V	97.8	Very high	93.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.2	161	178.5	0	0	0	0	108	R416 T433 F445 I447 W469 I474 F486	R416-V471 VanDerWaalsContact CZ-O 3.29Å; R416-V471 PolarHBondContact NH1-O 2.91Å; R416-V471 PolarHBondContact NH2-O 3.28Å; T433-V471 HydrophobicContact CG2-CB 4.17Å; T433-V471 HydrophobicContact CG2-CG1 3.8Å; F445-V471 WeakPolarHBondContact O-CB 3.23Å; F445-V471 PolarHBondContact O-N 3.08Å; I447-V471 HydrophobicContact CD1-CG1 4.32Å; I447-V471 HydrophobicContact CG1-CB 4.49Å; I447-V471 HydrophobicContact CG1-CG1 3.92Å; I447-V471 HydrophobicContact CG1-CG2 4.11Å; W469-V471 HydrophobicContact CE3-CG2 4.44Å; W469-V471 HydrophobicContact CH2-CG2 4.27Å; W469-V471 HydrophobicContact CZ3-CG2 3.56Å; V471-I474 HydrophobicContact CG1-CG1 4.49Å; V471-F486 HydrophobicContact CG1-CB 4.19Å; V471-F486 HydrophobicContact CG1-CD2 4.01Å; V471-F486 HydrophobicContact CG1-CG 4.41Å; V471-F486 HydrophobicContact CG2-CD2 4.09Å; V471-F486 HydrophobicContact CG2-CE2 4.21Å
472	T	95.6	Very high	93.7	Very high	18 Å²	18	42 Å²	42	11%	0.11	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-24.9	-169.8	64.3	0	0	0	0	113.8	R416 L487 T489 F649	R416-T472 PolarHBondContact NH2-O 2.94Å; R416-T472 VanDerWaalsContact NH2-O 3.17Å; T472-L487 PolarHBondContact N-O 3.37Å; T472-L487 VanDerWaalsContact OG1-CB 3.32Å; T472-L487 WeakPolarHBondContact OG1-CB 3.13Å; T472-L487 PolarHBondContact OG1-O 2.89Å; T472-T489 HydrophobicContact CG2-CG2 3.96Å; T472-F649 HydrophobicContact CG2-CD1 3.59Å; T472-F649 HydrophobicContact CG2-CE1 3.87Å
473	S	95.8	Very high	94	Very high	47 Å²	47	40 Å²	40	33%	0.329	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	144.4	169.6	-177	0	0	0	0	110.5	F486 L487	S473-F486 CarbonylContact O-C 3.59Å; S473-F486 VanDerWaalsContact O-CA 3.23Å; S473-F486 WeakPolarHBondContact O-CA 3.45Å; S473-F486 VanDerWaalsContact O-CB 3.22Å; S473-F486 WeakPolarHBondContact O-CB 3.22Å; S473-L487 PolarHBondContact N-O 2.89Å; S473-L487 PolarHBondContact O-N 2.83Å
474	I	97.1	Very high	94.2	Very high	29 Å²	29	38 Å²	38	15%	0.149	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.7	169.6	-59.4	174.7	0	0	0	107.5	L422 F431 T433 I447 V471 I484	L422-I474 HydrophobicContact CB-CG2 3.99Å; L422-I474 HydrophobicContact CD2-CG2 3.71Å; F431-I474 HydrophobicContact CB-CD1 4.27Å; T433-I474 HydrophobicContact CG2-CD1 4.16Å; T433-I474 HydrophobicContact CG2-CG1 4.16Å; I447-I474 HydrophobicContact CD1-CG1 4.27Å; I447-I474 HydrophobicContact CG1-CD1 3.93Å; I447-I474 HydrophobicContact CG1-CG1 3.99Å; I447-I474 HydrophobicContact CG2-CD1 4.06Å; V471-I474 HydrophobicContact CG1-CG1 4.49Å; I474-I484 HydrophobicContact CG2-CD1 3.83Å; I474-I484 HydrophobicContact CG2-CG1 4.13Å
475	L	96.1	Very high	94.4	Very high	40 Å²	40	38.1 Å²	38.1	21%	0.209	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-53.2	-169.9	-56.5	177.4	0	0	0	112.6	Y485 L487 L498 V523 F525	L475-Y485 PolarHBondContact N-O 2.93Å; L475-L487 HydrophobicContact CD1-CD2 4.01Å; L475-L487 HydrophobicContact CD1-CG 3.99Å; L475-L487 HydrophobicContact CD2-CD1 4.46Å; L475-L487 HydrophobicContact CD2-CG 4.31Å; L475-L487 HydrophobicContact CG-CG 4.37Å; L475-L498 HydrophobicContact CD1-CD1 3.6Å; L475-V523 HydrophobicContact CD1-CB 3.74Å; L475-V523 HydrophobicContact CD1-CG1 4.01Å; L475-F525 HydrophobicContact CB-CD2 4.07Å; L475-F525 HydrophobicContact CB-CE2 3.99Å; L475-F525 HydrophobicContact CD1-CE2 3.96Å
476	A	95.3	Very high	94.5	Very high	5 Å²	5	38 Å²	38	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	156.6	-171.8	0	0	0	0	0	112.5	L422 Y485 F525 M529	L422-A476 VanDerWaalsContact CD2-C 3.45Å; A476-Y485 HydrophobicContact CB-CD2 4.1Å; A476-Y485 PolarHBondContact N-O 3.26Å; A476-Y485 PolarHBondContact O-N 2.81Å; A476-F525 HydrophobicContact CB-CB 4.1Å; A476-F525 HydrophobicContact CB-CD2 3.67Å; A476-F525 HydrophobicContact CB-CE2 4.29Å; A476-F525 HydrophobicContact CB-CG 3.89Å; A476-M529 HydrophobicContact CB-CE 4.18Å; A476-M529 HydrophobicContact CB-CG 3.8Å
477	Y	94.9	Very high	94.6	Very high	19 Å²	19	35.6 Å²	35.6	8%	0.075	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.2	176.6	167.1	-117	0	0	0	109.2	F431 H479 L483 I484 T503	F431-Y477 HydrophobicContact CD2-CD1 4.48Å; F431-Y477 HydrophobicContact CD2-CG 4.26Å; F431-Y477 AromaticContact CE2-CD1 3.55Å; F431-Y477 HydrophobicContact CE2-CD1 3.55Å; F431-Y477 AromaticContact CE2-CD2 3.75Å; F431-Y477 HydrophobicContact CE2-CD2 3.75Å; F431-Y477 AromaticContact CE2-CE1 3.82Å; F431-Y477 HydrophobicContact CE2-CE1 3.82Å; F431-Y477 HydrophobicContact CE2-CE2 4.03Å; F431-Y477 AromaticContact CE2-CG 3.5Å; F431-Y477 HydrophobicContact CE2-CG 3.5Å; F431-Y477 HydrophobicContact CZ-CD1 4.17Å; F431-Y477 AromaticContact CZ-CD2 3.72Å; F431-Y477 HydrophobicContact CZ-CD2 3.72Å; F431-Y477 HydrophobicContact CZ-CE1 4.09Å; F431-Y477 AromaticContact CZ-CE2 3.66Å; F431-Y477 HydrophobicContact CZ-CE2 3.66Å; F431-Y477 AromaticContact CZ-CG 3.99Å; F431-Y477 HydrophobicContact CZ-CG 3.99Å; F431-Y477 AromaticContact CZ-CZ 3.84Å; Y477-H479 HydrophobicContact CE1-CB 4.02Å; Y477-H479 AromaticContact CE1-ND1 3.78Å; Y477-H479 AromaticContact CZ-ND1 3.92Å; Y477-H479 PolarHBondContact OH-ND1 3.02Å; Y477-L483 WeakPolarHBondContact CA-O 3.4Å; Y477-L483 WeakPolarHBondContact CD2-O 3.37Å; Y477-I484 HydrophobicContact CD2-CB 4.46Å; Y477-T503 HydrophobicContact CD2-CG2 3.94Å; Y477-T503 HydrophobicContact CE2-CG2 3.7Å
478	R	92.8	Very high	94.8	Very high	47 Å²	47	34.7 Å²	34.7	18%	0.177	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	101.3	179.9	-172.9	173.1	-175.2	155.8	7	109.6	E480 K481 N482 L483 Y485 M529	R478-E480 WeakPolarHBondContact CG-OE2 3.45Å; R478-E480 IonicContact NE-OE2 3.17Å; R478-E480 PolarHBondContact O-N 2.77Å; R478-K481 HydrophobicContact CG-CB 4.41Å; R478-K481 PolarHBondContact O-N 2.86Å; R478-N482 PolarHBondContact O-N 3.02Å; R478-L483 PolarHBondContact N-O 2.84Å; R478-L483 PolarHBondContact O-N 3.29Å; R478-Y485 HydrophobicContact CB-CE2 4.19Å; R478-M529 HydrophobicContact CB-SD 4.46Å
479	H	89	Confident	94.9	Very high	85 Å²	85	31.1 Å²	31.1	39%	0.394	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-61.4	-42.3	-172.8	-172.6	78.3	0	0	0	112.9	Y477 K481 N482	Y477-H479 HydrophobicContact CE1-CB 4.02Å; Y477-H479 AromaticContact CE1-ND1 3.78Å; Y477-H479 AromaticContact CZ-ND1 3.92Å; Y477-H479 PolarHBondContact OH-ND1 3.02Å; H479-K481 PolarHBondContact O-N 3.11Å; H479-K481 VanDerWaalsContact O-N 3.16Å; H479-N482 PolarHBondContact O-N 3.25Å; H479-N482 VanDerWaalsContact O-N 3.17Å
480	E	89.2	Confident	94.9	Very high	123 Å²	123	32.8 Å²	32.8	58%	0.575	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-67.6	-21	-173.4	-44.3	74.3	-156.8	0	0	112.7	R478	R478-E480 WeakPolarHBondContact CG-OE2 3.45Å; R478-E480 IonicContact NE-OE2 3.17Å; R478-E480 PolarHBondContact O-N 2.77Å
481	K	88.8	Confident	94.8	Very high	111 Å²	111	36.5 Å²	36.5	48%	0.483	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-111.4	-3.2	177.8	-64.9	-166.8	177.4	-176.1	0	113.7	R478 H479 L483	R478-K481 HydrophobicContact CG-CB 4.41Å; R478-K481 PolarHBondContact O-N 2.86Å; H479-K481 PolarHBondContact O-N 3.11Å; H479-K481 VanDerWaalsContact O-N 3.16Å; K481-L483 VanDerWaalsContact C-N 3.26Å; K481-L483 HydrophobicContact CB-CB 4.46Å; K481-L483 HydrophobicContact CB-CD1 3.9Å; K481-L483 HydrophobicContact CB-CG 4.07Å; K481-L483 HydrophobicContact CD-CD1 4.18Å; K481-L483 PolarHBondContact O-N 3.26Å
482	N	90.6	Very high	94.6	Very high	48 Å²	48	38 Å²	38	26%	0.257	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	42.6	-170.8	-66.6	-70.2	0	0	0	113.3	R478 H479 D502 T503 I504	R478-N482 PolarHBondContact O-N 3.02Å; H479-N482 PolarHBondContact O-N 3.25Å; H479-N482 VanDerWaalsContact O-N 3.17Å; N482-D502 CarbonylContact O-C 3.54Å; N482-D502 WeakPolarHBondContact O-CA 3.41Å; N482-T503 WeakPolarHBondContact CB-OG1 3.32Å; N482-T503 PolarHBondContact O-N 3.43Å; N482-T503 PolarHBondContact O-OG1 2.89Å; N482-I504 HydrophobicContact CB-CD1 4.08Å; N482-I504 HydrophobicContact CB-CG1 4.19Å; N482-I504 VanDerWaalsContact CG-CD1 3.5Å
483	L	93.9	Very high	94.4	Very high	34 Å²	34	39 Å²	39	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.5	-179.7	-73.2	171.4	0	0	0	111.5	Y477 R478 K481 Y485 S501 D502	Y477-L483 WeakPolarHBondContact CA-O 3.4Å; Y477-L483 WeakPolarHBondContact CD2-O 3.37Å; R478-L483 PolarHBondContact N-O 2.84Å; R478-L483 PolarHBondContact O-N 3.29Å; K481-L483 VanDerWaalsContact C-N 3.26Å; K481-L483 HydrophobicContact CB-CB 4.46Å; K481-L483 HydrophobicContact CB-CD1 3.9Å; K481-L483 HydrophobicContact CB-CG 4.07Å; K481-L483 HydrophobicContact CD-CD1 4.18Å; K481-L483 PolarHBondContact O-N 3.26Å; L483-Y485 HydrophobicContact CB-CE2 4.46Å; L483-S501 WeakPolarHBondContact CA-O 3.45Å; L483-D502 WeakPolarHBondContact CD2-OD1 3.48Å
484	I	95.9	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.2	171.5	-173.5	155.8	0	0	0	110.5	F431 I447 L464 I474 Y477 S500 S501 T503	F431-I484 HydrophobicContact CB-CD1 3.6Å; F431-I484 HydrophobicContact CD1-CD1 3.56Å; F431-I484 HydrophobicContact CD2-CD1 4.05Å; F431-I484 HydrophobicContact CE1-CD1 4.23Å; F431-I484 HydrophobicContact CG-CD1 3.46Å; F431-I484 VanDerWaalsContact CG-CD1 3.46Å; I447-I484 HydrophobicContact CD1-CD1 4.24Å; I447-I484 HydrophobicContact CD1-CG1 4.38Å; I447-I484 HydrophobicContact CD1-CG2 4.42Å; I447-I484 HydrophobicContact CG2-CD1 4.12Å; L464-I484 HydrophobicContact CD1-CG2 4.13Å; I474-I484 HydrophobicContact CG2-CD1 3.83Å; I474-I484 HydrophobicContact CG2-CG1 4.13Å; Y477-I484 HydrophobicContact CD2-CB 4.46Å; I484-S500 CarbonylContact O-C 3.54Å; I484-S500 VanDerWaalsContact O-CA 3.23Å; I484-S500 WeakPolarHBondContact O-CA 3.38Å; I484-S501 WeakPolarHBondContact CG2-O 3.5Å; I484-S501 PolarHBondContact N-O 3.17Å; I484-S501 PolarHBondContact O-N 3.06Å; I484-T503 HydrophobicContact CB-CG2 3.8Å; I484-T503 HydrophobicContact CG2-CG2 3.77Å
485	Y	97.3	Very high	94.3	Very high	8 Å²	8	40.3 Å²	40.3	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135	180	-56.2	-85.3	0	0	0	110.7	L475 A476 R478 L483 Y499 L512 F525 M529 T549	L475-Y485 PolarHBondContact N-O 2.93Å; A476-Y485 HydrophobicContact CB-CD2 4.1Å; A476-Y485 PolarHBondContact N-O 3.26Å; A476-Y485 PolarHBondContact O-N 2.81Å; R478-Y485 HydrophobicContact CB-CE2 4.19Å; L483-Y485 HydrophobicContact CB-CE2 4.46Å; Y485-Y499 WeakPolarHBondContact CA-O 3.42Å; Y485-L512 HydrophobicContact CD1-CD1 3.78Å; Y485-L512 HydrophobicContact CE1-CD1 3.83Å; Y485-F525 AromaticContact CD1-CE1 3.99Å; Y485-F525 HydrophobicContact CD1-CE1 3.99Å; Y485-F525 HydrophobicContact CD1-CE2 4.44Å; Y485-F525 AromaticContact CD1-CZ 3.55Å; Y485-F525 HydrophobicContact CD1-CZ 3.55Å; Y485-F525 HydrophobicContact CD2-CE1 4.09Å; Y485-F525 HydrophobicContact CD2-CE2 4.4Å; Y485-F525 AromaticContact CD2-CZ 3.96Å; Y485-F525 HydrophobicContact CD2-CZ 3.96Å; Y485-F525 HydrophobicContact CE1-CE1 4.21Å; Y485-F525 HydrophobicContact CE1-CZ 4.22Å; Y485-F525 HydrophobicContact CE2-CE1 4.31Å; Y485-F525 AromaticContact CG-CE1 3.93Å; Y485-F525 HydrophobicContact CG-CE1 3.93Å; Y485-F525 AromaticContact CG-CE2 3.91Å; Y485-F525 HydrophobicContact CG-CE2 3.91Å; Y485-F525 AromaticContact CG-CZ 3.4Å; Y485-F525 HydrophobicContact CG-CZ 3.4Å; Y485-M529 HydrophobicContact CE2-CB 4.3Å; Y485-T549 HydrophobicContact CE1-CG2 3.96Å; Y485-T549 WeakPolarHBondContact OH-CG2 3.33Å
486	F	97.8	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.4	-173	60.9	-83.2	0	0	0	112.2	I447 T465 W469 V471 S473 Y499	I447-F486 HydrophobicContact CD1-CB 3.89Å; I447-F486 HydrophobicContact CD1-CD1 3.53Å; I447-F486 HydrophobicContact CD1-CD2 4.2Å; I447-F486 HydrophobicContact CD1-CE1 4.07Å; I447-F486 HydrophobicContact CD1-CG 3.61Å; T465-F486 HydrophobicContact CG2-CE1 4.4Å; T465-F486 HydrophobicContact CG2-CE2 4.43Å; T465-F486 HydrophobicContact CG2-CZ 3.96Å; W469-F486 HydrophobicContact CH2-CE2 4.2Å; W469-F486 HydrophobicContact CZ3-CE2 4.21Å; V471-F486 HydrophobicContact CG1-CB 4.19Å; V471-F486 HydrophobicContact CG1-CD2 4.01Å; V471-F486 HydrophobicContact CG1-CG 4.41Å; V471-F486 HydrophobicContact CG2-CD2 4.09Å; V471-F486 HydrophobicContact CG2-CE2 4.21Å; S473-F486 CarbonylContact O-C 3.59Å; S473-F486 VanDerWaalsContact O-CA 3.23Å; S473-F486 WeakPolarHBondContact O-CA 3.45Å; S473-F486 VanDerWaalsContact O-CB 3.22Å; S473-F486 WeakPolarHBondContact O-CB 3.22Å; F486-Y499 HydrophobicContact CE2-CG 4.3Å; F486-Y499 HydrophobicContact CZ-CG 4.42Å; F486-Y499 PolarHBondContact N-O 2.77Å; F486-Y499 PolarHBondContact O-N 3.03Å
487	L	97.9	Very high	94.4	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.058	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.4	170.5	-59.7	-179.8	0	0	0	109.8	T472 S473 L475 H497 L498 V521 V523	T472-L487 PolarHBondContact N-O 3.37Å; T472-L487 VanDerWaalsContact OG1-CB 3.32Å; T472-L487 WeakPolarHBondContact OG1-CB 3.13Å; T472-L487 PolarHBondContact OG1-O 2.89Å; S473-L487 PolarHBondContact N-O 2.89Å; S473-L487 PolarHBondContact O-N 2.83Å; L475-L487 HydrophobicContact CD1-CD2 4.01Å; L475-L487 HydrophobicContact CD1-CG 3.99Å; L475-L487 HydrophobicContact CD2-CD1 4.46Å; L475-L487 HydrophobicContact CD2-CG 4.31Å; L475-L487 HydrophobicContact CG-CG 4.37Å; L487-H497 WeakPolarHBondContact CA-O 3.45Å; L487-L498 HydrophobicContact CD2-CB 4.27Å; L487-L498 HydrophobicContact CD2-CD1 4.41Å; L487-V521 HydrophobicContact CD2-CG2 3.99Å; L487-V523 HydrophobicContact CD2-CG2 4.44Å
488	S	97.4	Very high	94.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	169.8	176.6	83.2	0	0	0	0	114.1	D470 E490 H497 Y499	D470-S488 WeakPolarHBondContact O-CA 3.48Å; S488-E490 VanDerWaalsContact OG-CB 3.31Å; S488-E490 WeakPolarHBondContact OG-CB 3.46Å; S488-E490 PolarHBondContact OG-N 3.45Å; S488-H497 PolarHBondContact N-O 2.93Å; S488-H497 PolarHBondContact O-N 2.88Å; S488-Y499 WeakPolarHBondContact OG-CD2 2.98Å; S488-Y499 WeakPolarHBondContact OG-CE2 3.39Å
489	T	96.8	Very high	94.8	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.031	17%	0.173	C	C	.	.			trans	-97.8	25.7	168.9	60.1	0	0	0	0	113.4	D470 T472 D491 R496 F649	D470-T489 PolarHBondContact N-OG1 2.78Å; D470-T489 PolarHBondContact O-N 2.99Å; D470-T489 PolarHBondContact O-OG1 3.17Å; T472-T489 HydrophobicContact CG2-CG2 3.96Å; T489-D491 VanDerWaalsContact C-N 3.29Å; T489-D491 PolarHBondContact O-N 3.12Å; T489-R496 VanDerWaalsContact CG2-NH1 3.32Å; T489-F649 HydrophobicContact CG2-CB 4.18Å; T489-F649 PolarHBondContact OG1-O 2.87Å
490	E	96	Very high	95.1	Very high	56 Å²	56	32.8 Å²	32.8	26%	0.262	16%	0.158	S	C	.	.	S	Bend	trans	-64.6	-26.8	-175.6	-179.9	158.1	-144.5	0	0	113.8	W469 S488 Y499 R509	W469-E490 HydrophobicContact CB-CB 4.47Å; W469-E490 HydrophobicContact CD2-CB 3.64Å; W469-E490 HydrophobicContact CD2-CG 4.08Å; W469-E490 HydrophobicContact CE3-CB 4.03Å; W469-E490 HydrophobicContact CG-CB 3.82Å; W469-E490 HydrophobicContact CG-CG 4.17Å; W469-E490 HydrophobicContact CZ2-CB 4.3Å; W469-E490 HydrophobicContact CZ2-CG 4.18Å; W469-E490 WeakPolarHBondContact CZ2-OE1 3.16Å; W469-E490 WeakPolarHBondContact CZ2-OE2 3.49Å; W469-E490 HydrophobicContact CZ3-CB 4.47Å; W469-E490 VanDerWaalsContact NE1-CD 3.34Å; W469-E490 PolarHBondContact NE1-OE1 2.82Å; S488-E490 VanDerWaalsContact OG-CB 3.31Å; S488-E490 WeakPolarHBondContact OG-CB 3.46Å; S488-E490 PolarHBondContact OG-N 3.45Å; E490-Y499 HydrophobicContact CB-CE1 4.23Å; E490-Y499 HydrophobicContact CB-CE2 4.32Å; E490-Y499 HydrophobicContact CG-CE1 4.4Å; E490-R509 IonicContact OE1-CZ 3.91Å; E490-R509 IonicContact OE1-NE 3.11Å; E490-R509 PolarHBondContact OE1-NE 2.83Å; E490-R509 VanDerWaalsContact OE1-NE 3.16Å; E490-R509 IonicContact OE1-NH2 3.99Å; E490-R509 PolarHBondContact OE1-NH2 2.93Å; E490-R509 IonicContact OE2-CZ 2.67Å; E490-R509 IonicContact OE2-NE 3.1Å; E490-R509 PolarHBondContact OE2-NE 3.02Å
491	D	94.4	Very high	95.4	Very high	79 Å²	79	26.9 Å²	26.9	42%	0.422	13%	0.131	S	C	.	.	S	Bend	trans	-80	-58.1	172	-174.4	64.1	0	0	0	112.5	T489 R495 H497 Y499	T489-D491 VanDerWaalsContact C-N 3.29Å; T489-D491 PolarHBondContact O-N 3.12Å; D491-R495 WeakPolarHBondContact OD2-CD 3.25Å; D491-R495 IonicContact OD2-CZ 2.72Å; D491-R495 IonicContact OD2-NE 3.58Å; D491-R495 IonicContact OD2-NH1 3.63Å; D491-R495 PolarHBondContact OD2-NH1 2.81Å; D491-H497 IonicContact OD2-NE2 3.73Å; D491-Y499 PolarHBondContact N-OH 2.87Å
492	D	93.5	Very high	95.7	Very high	33 Å²	33	23.6 Å²	23.6	18%	0.176	12%	0.119	C	C	.	.			trans	-153.8	141.4	178.6	-170.4	-64.4	0	0	0	110.6	K494 R495	D492-K494 HydrophobicContact CB-CG 4.46Å; D492-K494 VanDerWaalsContact CG-NZ 3.33Å; D492-K494 PolarHBondContact O-N 3.17Å; D492-K494 VanDerWaalsContact O-N 3.11Å; D492-K494 VanDerWaalsContact OD1-CD 3.3Å; D492-K494 WeakPolarHBondContact OD1-CD 3.26Å; D492-K494 WeakPolarHBondContact OD1-CG 3.4Å; D492-K494 PolarHBondContact OD1-N 3.03Å; D492-K494 IonicContact OD1-NZ 3.78Å; D492-K494 WeakPolarHBondContact OD2-CE 3.48Å; D492-K494 IonicContact OD2-NZ 2.71Å; D492-K494 PolarHBondContact OD2-NZ 3.16Å; D492-R495 HydrophobicContact CB-CB 4.22Å; D492-R495 HydrophobicContact CB-CG 4.16Å; D492-R495 PolarHBondContact O-N 3.38Å
493	P	92.8	Very high	95.7	Very high	38 Å²	38	22 Å²	22	25%	0.247	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-33.1	173.5	-31.7	37.5	0	0	0	116.1	R495 R496 Q617 Q650	P493-R495 VanDerWaalsContact C-N 3.3Å; P493-R496 PolarHBondContact O-NH1 3.22Å; P493-Q617 PolarHBondContact O-NE2 2.87Å; P493-Q617 PolarHBondContact O-OE1 3.46Å; P493-Q650 HydrophobicContact CB-CG 3.7Å; P493-Q650 HydrophobicContact CG-CG 3.86Å
494	K	93.8	Very high	95.4	Very high	28 Å²	28	24.7 Å²	24.7	12%	0.122	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.2	-179.3	80.5	-154.2	174.3	-129.1	0	113.7	D492 V619 T620 E621	D492-K494 HydrophobicContact CB-CG 4.46Å; D492-K494 VanDerWaalsContact CG-NZ 3.33Å; D492-K494 PolarHBondContact O-N 3.17Å; D492-K494 VanDerWaalsContact O-N 3.11Å; D492-K494 VanDerWaalsContact OD1-CD 3.3Å; D492-K494 WeakPolarHBondContact OD1-CD 3.26Å; D492-K494 WeakPolarHBondContact OD1-CG 3.4Å; D492-K494 PolarHBondContact OD1-N 3.03Å; D492-K494 IonicContact OD1-NZ 3.78Å; D492-K494 WeakPolarHBondContact OD2-CE 3.48Å; D492-K494 IonicContact OD2-NZ 2.71Å; D492-K494 PolarHBondContact OD2-NZ 3.16Å; K494-V619 WeakPolarHBondContact CB-O 3.37Å; K494-T620 PolarHBondContact O-OG1 3.37Å; K494-E621 HydrophobicContact CD-CG 4.38Å; K494-E621 WeakPolarHBondContact CE-OE1 3.2Å; K494-E621 HydrophobicContact CG-CG 4.03Å; K494-E621 PolarHBondContact O-N 2.86Å
495	R	95.5	Very high	94.8	Very high	76 Å²	76	28.1 Å²	28.1	29%	0.287	15%	0.152	S	C	.	.			trans	-107.8	160.8	-175.6	-74.6	-179.3	176.7	170.4	2.5	112.1	D491 D492 P493 G519 E621	D491-R495 WeakPolarHBondContact OD2-CD 3.25Å; D491-R495 IonicContact OD2-CZ 2.72Å; D491-R495 IonicContact OD2-NE 3.58Å; D491-R495 IonicContact OD2-NH1 3.63Å; D491-R495 PolarHBondContact OD2-NH1 2.81Å; D492-R495 HydrophobicContact CB-CB 4.22Å; D492-R495 HydrophobicContact CB-CG 4.16Å; D492-R495 PolarHBondContact O-N 3.38Å; P493-R495 VanDerWaalsContact C-N 3.3Å; R495-G519 CarbonylContact C-O 3.59Å; R495-G519 WeakPolarHBondContact CA-O 3.42Å; R495-G519 WeakPolarHBondContact CB-O 3.45Å; R495-G519 WeakPolarHBondContact CG-O 3.45Å; R495-E621 WeakPolarHBondContact CG-OE2 3.39Å; R495-E621 IonicContact CZ-OE1 3.98Å; R495-E621 IonicContact CZ-OE2 3.78Å; R495-E621 VanDerWaalsContact NE-CD 3.27Å; R495-E621 IonicContact NE-OE1 2.69Å; R495-E621 PolarHBondContact NE-OE1 3.06Å; R495-E621 VanDerWaalsContact NE-OE1 3.11Å; R495-E621 IonicContact NE-OE2 3.16Å; R495-E621 PolarHBondContact NE-OE2 2.84Å; R495-E621 IonicContact NH2-OE1 3.35Å; R495-E621 PolarHBondContact NH2-OE1 2.81Å; R495-E621 VanDerWaalsContact NH2-OE1 3.1Å; R495-E621 IonicContact NH2-OE2 3.04Å; R495-E621 PolarHBondContact NH2-OE2 2.79Å
496	R	97.1	Very high	94.3	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.015	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-137.5	120.1	168.3	-61.9	-63.3	-179.9	-78.8	-1.6	107.7	T489 P493 G519 Y520 V521 F649	T489-R496 VanDerWaalsContact CG2-NH1 3.32Å; P493-R496 PolarHBondContact O-NH1 3.22Å; R496-G519 PolarHBondContact N-O 3.31Å; R496-Y520 HydrophobicContact CB-CD1 4.18Å; R496-Y520 HydrophobicContact CB-CD2 4.3Å; R496-Y520 HydrophobicContact CB-CE1 4.15Å; R496-Y520 HydrophobicContact CB-CE2 4.3Å; R496-Y520 HydrophobicContact CB-CG 4.26Å; R496-Y520 HydrophobicContact CG-CD1 4.18Å; R496-Y520 HydrophobicContact CG-CD2 3.88Å; R496-Y520 HydrophobicContact CG-CE1 3.73Å; R496-Y520 HydrophobicContact CG-CE2 3.42Å; R496-Y520 VanDerWaalsContact CG-CE2 3.42Å; R496-Y520 HydrophobicContact CG-CG 4.25Å; R496-V521 WeakPolarHBondContact O-CG2 3.45Å; R496-V521 PolarHBondContact O-N 2.99Å; R496-F649 VanDerWaalsContact NH2-CD1 3.32Å
497	H	97.6	Very high	93.9	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.032	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154.2	174.1	-67.8	-68.7	0	0	0	111.2	L487 S488 D491 Y499 S513 C518	L487-H497 WeakPolarHBondContact CA-O 3.45Å; S488-H497 PolarHBondContact N-O 2.93Å; S488-H497 PolarHBondContact O-N 2.88Å; D491-H497 IonicContact OD2-NE2 3.73Å; H497-Y499 HydrophobicContact CB-CD2 4.35Å; H497-Y499 HydrophobicContact CB-CE2 3.62Å; H497-Y499 VanDerWaalsContact O-CD2 3.23Å; H497-Y499 WeakPolarHBondContact O-CD2 3.45Å; H497-Y499 WeakPolarHBondContact O-CE2 3.48Å; H497-S513 WeakPolarHBondContact CA-OG 3.19Å; H497-S513 VanDerWaalsContact CB-OG 3.31Å; H497-S513 WeakPolarHBondContact CB-OG 3.1Å; H497-S513 PolarHBondContact ND1-OG 3.33Å; H497-C518 PolarHBondContact CE1-O 3.28Å; H497-C518 PolarHBondContact ND1-O 3.13Å
498	L	97.9	Very high	93.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.1	172.6	176.3	68.1	0	0	0	109.9	L475 L487 L512 S513 V521 V523 F525 F532	L475-L498 HydrophobicContact CD1-CD1 3.6Å; L487-L498 HydrophobicContact CD2-CB 4.27Å; L487-L498 HydrophobicContact CD2-CD1 4.41Å; L498-L512 HydrophobicContact CB-CB 4.39Å; L498-L512 HydrophobicContact CD2-CB 3.74Å; L498-L512 HydrophobicContact CD2-CD1 3.84Å; L498-L512 HydrophobicContact CD2-CG 4.42Å; L498-L512 HydrophobicContact CG-CB 3.93Å; L498-L512 HydrophobicContact CG-CD1 4.04Å; L498-L512 HydrophobicContact CG-CG 4.46Å; L498-L512 PolarHBondContact O-N 2.01Å; L498-S513 PolarHBondContact N-OG 3.21Å; L498-S513 PolarHBondContact O-N 3.26Å; L498-V521 HydrophobicContact CB-CG2 4.32Å; L498-V523 HydrophobicContact CB-CG2 4.23Å; L498-V523 HydrophobicContact CD1-CB 4.36Å; L498-V523 HydrophobicContact CD1-CG1 4.15Å; L498-V523 HydrophobicContact CD1-CG2 4.36Å; L498-V523 HydrophobicContact CD2-CG1 4.12Å; L498-V523 HydrophobicContact CD2-CG2 4.18Å; L498-V523 HydrophobicContact CG-CG2 4.48Å; L498-F525 HydrophobicContact CD1-CE2 4.1Å; L498-F525 HydrophobicContact CD1-CZ 4.08Å; L498-F525 HydrophobicContact CD2-CZ 4.31Å; L498-F532 HydrophobicContact CD2-CD2 4.03Å; L498-F532 HydrophobicContact CD2-CE2 3.91Å; L498-F532 HydrophobicContact CD2-CG 4.45Å; L498-F532 HydrophobicContact CD2-CZ 4.24Å
499	Y	97.3	Very high	93.5	Very high	13 Å²	13	43.4 Å²	43.4	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.2	173.8	-65.1	-99.6	0	0	0	110.9	Y485 F486 S488 E490 D491 H497 C510 C511	Y485-Y499 WeakPolarHBondContact CA-O 3.42Å; F486-Y499 HydrophobicContact CE2-CG 4.3Å; F486-Y499 HydrophobicContact CZ-CG 4.42Å; F486-Y499 PolarHBondContact N-O 2.77Å; F486-Y499 PolarHBondContact O-N 3.03Å; S488-Y499 WeakPolarHBondContact OG-CD2 2.98Å; S488-Y499 WeakPolarHBondContact OG-CE2 3.39Å; E490-Y499 HydrophobicContact CB-CE1 4.23Å; E490-Y499 HydrophobicContact CB-CE2 4.32Å; E490-Y499 HydrophobicContact CG-CE1 4.4Å; D491-Y499 PolarHBondContact N-OH 2.87Å; H497-Y499 HydrophobicContact CB-CD2 4.35Å; H497-Y499 HydrophobicContact CB-CE2 3.62Å; H497-Y499 VanDerWaalsContact O-CD2 3.23Å; H497-Y499 WeakPolarHBondContact O-CD2 3.45Å; H497-Y499 WeakPolarHBondContact O-CE2 3.48Å; Y499-C510 CarbonylContact C-O 3.54Å; Y499-C510 VanDerWaalsContact CA-O 3.31Å; Y499-C510 WeakPolarHBondContact CA-O 3.41Å; Y499-C511 HydrophobicContact CD1-CB 3.78Å; Y499-C511 HydrophobicContact CE1-CB 3.54Å
500	S	96.1	Very high	93.4	Very high	13 Å²	13	46 Å²	46	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.7	164.1	60.7	0	0	0	0	110.5	I484 R509 C510	I484-S500 CarbonylContact O-C 3.54Å; I484-S500 VanDerWaalsContact O-CA 3.23Å; I484-S500 WeakPolarHBondContact O-CA 3.38Å; S500-R509 CarbonylContact O-C 3.59Å; S500-R509 WeakPolarHBondContact O-CA 3.34Å; S500-C510 PolarHBondContact N-O 2.98Å; S500-C510 PolarHBondContact O-N 2.89Å
501	S	95.9	Very high	93.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.5	170.9	-174.5	0	0	0	0	111.3	L483 I484 N508	L483-S501 WeakPolarHBondContact CA-O 3.45Å; I484-S501 WeakPolarHBondContact CG2-O 3.5Å; I484-S501 PolarHBondContact N-O 3.17Å; I484-S501 PolarHBondContact O-N 3.06Å; S501-N508 VanDerWaalsContact CA-O 3.29Å; S501-N508 WeakPolarHBondContact CA-O 3.23Å
502	D	94	Very high	93.4	Very high	42 Å²	42	41.5 Å²	41.5	23%	0.225	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	142.1	162	-55.7	-47.9	0	0	0	109.6	N482 L483 I504 N508	N482-D502 CarbonylContact O-C 3.54Å; N482-D502 WeakPolarHBondContact O-CA 3.41Å; L483-D502 WeakPolarHBondContact CD2-OD1 3.48Å; D502-I504 WeakPolarHBondContact CB-O 3Å; D502-N508 PolarHBondContact N-O 3.36Å; D502-N508 VanDerWaalsContact N-O 3.11Å; D502-N508 VanDerWaalsContact OD2-CB 3.3Å; D502-N508 WeakPolarHBondContact OD2-CB 3.5Å; D502-N508 PolarHBondContact OD2-N 3.24Å; D502-N508 VanDerWaalsContact OD2-N 3.14Å; D502-N508 PolarHBondContact OD2-ND2 3.25Å
503	T	90.7	Very high	93.5	Very high	14 Å²	14	39.9 Å²	39.9	9%	0.086	22%	0.219	C	C	.	.	S	Bend	trans	-95.1	1.8	173.7	68	0	0	0	0	113.1	F431 L464 Y477 N482 I484	F431-T503 HydrophobicContact CE1-CG2 3.76Å; F431-T503 HydrophobicContact CZ-CG2 4.01Å; L464-T503 HydrophobicContact CD1-CG2 4.03Å; Y477-T503 HydrophobicContact CD2-CG2 3.94Å; Y477-T503 HydrophobicContact CE2-CG2 3.7Å; N482-T503 WeakPolarHBondContact CB-OG1 3.32Å; N482-T503 PolarHBondContact O-N 3.43Å; N482-T503 PolarHBondContact O-OG1 2.89Å; I484-T503 HydrophobicContact CB-CG2 3.8Å; I484-T503 HydrophobicContact CG2-CG2 3.77Å
504	I	87.9	Confident	93.4	Very high	91 Å²	91	40.7 Å²	40.7	47%	0.467	23%	0.225	S	C	.	.	S	Bend	trans	-125.1	151.4	174.6	-58.8	179	0	0	0	106.7	N482 D502 F507	N482-I504 HydrophobicContact CB-CD1 4.08Å; N482-I504 HydrophobicContact CB-CG1 4.19Å; N482-I504 VanDerWaalsContact CG-CD1 3.5Å; D502-I504 WeakPolarHBondContact CB-O 3Å; I504-F507 WeakPolarHBondContact O-CD1 3.41Å; I504-F507 PolarHBondContact O-N 2.74Å; I504-F507 VanDerWaalsContact O-N 3.07Å
505	A	83.4	Confident	93.2	Very high	71 Å²	71	46.4 Å²	46.4	59%	0.587	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	135.7	175.8	0	0	0	0	0	110.4	F507	A505-F507 HydrophobicContact CB-CD2 4.42Å; A505-F507 HydrophobicContact CB-CE2 3.87Å; A505-F507 HydrophobicContact CB-CZ 4.03Å
506	P	86	Confident	92.9	Very high	94 Å²	94	44.8 Å²	44.8	61%	0.61	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.4	6.4	19.7	37	-39.6	0	0	0	116.7	N508	P506-N508 VanDerWaalsContact CG-ND2 3.33Å; P506-N508 WeakPolarHBondContact CG-ND2 3.38Å
507	F	89.9	Confident	92.5	Very high	52 Å²	52	53.6 Å²	53.6	23%	0.228	29%	0.285	C	S	.	.			trans	61.3	43.9	-177.2	-41.8	-69.2	0	0	0	113.3	H462 L464 I504 A505 R509	H462-F507 AromaticContact CE1-CE1 3.64Å; H462-F507 AromaticContact CE1-CE2 3.37Å; H462-F507 WeakPolarHBondContact CE1-CE2 3.34Å; H462-F507 AromaticContact CE1-CZ 3.1Å; H462-F507 WeakPolarHBondContact CE1-CZ 3.45Å; H462-F507 AromaticContact ND1-CZ 3.81Å; H462-F507 AromaticContact NE2-CE2 3.69Å; H462-F507 AromaticContact NE2-CZ 3.67Å; L464-F507 HydrophobicContact CD2-CD1 3.75Å; L464-F507 HydrophobicContact CD2-CE1 3.66Å; I504-F507 WeakPolarHBondContact O-CD1 3.41Å; I504-F507 PolarHBondContact O-N 2.74Å; I504-F507 VanDerWaalsContact O-N 3.07Å; A505-F507 HydrophobicContact CB-CD2 4.42Å; A505-F507 HydrophobicContact CB-CE2 3.87Å; A505-F507 HydrophobicContact CB-CZ 4.03Å; F507-R509 PolarHBondContact O-N 2.78Å
508	N	92.4	Very high	92.3	Very high	101 Å²	101	53.6 Å²	53.6	54%	0.54	29%	0.286	S	S	.	.			trans	-64.3	136.7	178.3	-61.4	-48.1	0	0	0	109.8	S501 D502 P506	S501-N508 VanDerWaalsContact CA-O 3.29Å; S501-N508 WeakPolarHBondContact CA-O 3.23Å; D502-N508 PolarHBondContact N-O 3.36Å; D502-N508 VanDerWaalsContact N-O 3.11Å; D502-N508 VanDerWaalsContact OD2-CB 3.3Å; D502-N508 WeakPolarHBondContact OD2-CB 3.5Å; D502-N508 PolarHBondContact OD2-N 3.24Å; D502-N508 VanDerWaalsContact OD2-N 3.14Å; D502-N508 PolarHBondContact OD2-ND2 3.25Å; P506-N508 VanDerWaalsContact CG-ND2 3.33Å; P506-N508 WeakPolarHBondContact CG-ND2 3.38Å
509	R	94.8	Very high	92.1	Very high	94 Å²	94	53.8 Å²	53.8	36%	0.355	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.9	173.3	-62.5	-169.4	-59	-74.3	5.9	110.6	E490 S500 F507	E490-R509 IonicContact OE1-CZ 3.91Å; E490-R509 IonicContact OE1-NE 3.11Å; E490-R509 PolarHBondContact OE1-NE 2.83Å; E490-R509 VanDerWaalsContact OE1-NE 3.16Å; E490-R509 IonicContact OE1-NH2 3.99Å; E490-R509 PolarHBondContact OE1-NH2 2.93Å; E490-R509 IonicContact OE2-CZ 2.67Å; E490-R509 IonicContact OE2-NE 3.1Å; E490-R509 PolarHBondContact OE2-NE 3.02Å; S500-R509 CarbonylContact O-C 3.59Å; S500-R509 WeakPolarHBondContact O-CA 3.34Å; F507-R509 PolarHBondContact O-N 2.78Å
510	C	94.6	Very high	92	Very high	61 Å²	61	54.9 Å²	54.9	41%	0.412	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134	173.3	-172.8	0	0	0	0	109.4	Y499 S500	Y499-C510 CarbonylContact C-O 3.54Å; Y499-C510 VanDerWaalsContact CA-O 3.31Å; Y499-C510 WeakPolarHBondContact CA-O 3.41Å; S500-C510 PolarHBondContact N-O 2.98Å; S500-C510 PolarHBondContact O-N 2.89Å
511	C	95.5	Very high	92.1	Very high	27 Å²	27	54.3 Å²	54.3	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.9	170.8	-167.2	0	0	0	0	110.4	Y499 C514 K552	Y499-C511 HydrophobicContact CD1-CB 3.78Å; Y499-C511 HydrophobicContact CE1-CB 3.54Å; C511-C514 HydrophobicContact CB-CB 3.79Å; C511-C514 WeakPolarHBondContact CB-SG 3.44Å; C511-C514 WeakPolarHBondContact SG-CB 3.19Å; C511-C514 PolarHBondContact SG-N 3.38Å; C511-C514 CovalentContact SG-SG 2.03Å; C511-C514 PolarHBondContact SG-SG 3.26Å; C511-K552 PolarHBondContact O-NZ 3.09Å
512	L	94.7	Very high	92.1	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.063	31%	0.305	C	S	.	.	S	Bend	trans	-97.1	-27.3	-179.5	-61.3	178.7	0	0	0	112.4	Y485 L498	Y485-L512 HydrophobicContact CD1-CD1 3.78Å; Y485-L512 HydrophobicContact CE1-CD1 3.83Å; L498-L512 HydrophobicContact CB-CB 4.39Å; L498-L512 HydrophobicContact CD2-CB 3.74Å; L498-L512 HydrophobicContact CD2-CD1 3.84Å; L498-L512 HydrophobicContact CD2-CG 4.42Å; L498-L512 HydrophobicContact CG-CB 3.93Å; L498-L512 HydrophobicContact CG-CD1 4.04Å; L498-L512 HydrophobicContact CG-CG 4.46Å; L498-L512 PolarHBondContact O-N 2.01Å
513	S	94.8	Very high	92.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-110.2	-1.9	-178.8	67.1	0	0	0	0	115.9	H497 L498 E515 F516	H497-S513 WeakPolarHBondContact CA-OG 3.19Å; H497-S513 VanDerWaalsContact CB-OG 3.31Å; H497-S513 WeakPolarHBondContact CB-OG 3.1Å; H497-S513 PolarHBondContact ND1-OG 3.33Å; L498-S513 PolarHBondContact N-OG 3.21Å; L498-S513 PolarHBondContact O-N 3.26Å; S513-E515 PolarHBondContact O-N 3.43Å; S513-F516 WeakPolarHBondContact O-CB 3.29Å; S513-F516 PolarHBondContact O-N 3.07Å; S513-F516 VanDerWaalsContact O-N 3.11Å
514	C	91.4	Very high	92.6	Very high	55 Å²	55	57.2 Å²	57.2	37%	0.372	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.5	-176.7	-65.3	0	0	0	0	113.4	C511 F516	C511-C514 HydrophobicContact CB-CB 3.79Å; C511-C514 WeakPolarHBondContact CB-SG 3.44Å; C511-C514 WeakPolarHBondContact SG-CB 3.19Å; C511-C514 PolarHBondContact SG-N 3.38Å; C511-C514 CovalentContact SG-SG 2.03Å; C511-C514 PolarHBondContact SG-SG 3.26Å; C514-F516 VanDerWaalsContact C-N 3.32Å
515	E	89.3	Confident	93	Very high	147 Å²	147	54 Å²	54	69%	0.687	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.2	176.3	-67.2	164.7	158.3	0	0	112.3	S513 K552	S513-E515 PolarHBondContact O-N 3.43Å; E515-K552 IonicContact OE1-NZ 3.54Å; E515-K552 IonicContact OE2-NZ 3.6Å; E515-K552 PolarHBondContact OE2-NZ 3.47Å
516	F	89.4	Confident	93.6	Very high	43 Å²	43	50.6 Å²	50.6	19%	0.189	26%	0.262	C	S	.	.	S	Bend	trans	-84.6	150.1	177.5	-54.6	-26.9	0	0	0	110.5	S513 C514 C518 F532 L534 Y547 K552	S513-F516 WeakPolarHBondContact O-CB 3.29Å; S513-F516 PolarHBondContact O-N 3.07Å; S513-F516 VanDerWaalsContact O-N 3.11Å; C514-F516 VanDerWaalsContact C-N 3.32Å; F516-C518 PolarHBondContact O-N 3.16Å; F516-F532 HydrophobicContact CE2-CE2 4.47Å; F516-F532 HydrophobicContact CE2-CZ 4.39Å; F516-L534 HydrophobicContact CD2-CD1 3.68Å; F516-L534 HydrophobicContact CE2-CD1 3.7Å; F516-Y547 HydrophobicContact CE1-CD1 4.43Å; F516-Y547 HydrophobicContact CE1-CE1 4.06Å; F516-Y547 HydrophobicContact CE2-CD1 4.29Å; F516-Y547 HydrophobicContact CE2-CE1 4.1Å; F516-Y547 AromaticContact CZ-CD1 3.81Å; F516-Y547 HydrophobicContact CZ-CD1 3.81Å; F516-Y547 AromaticContact CZ-CE1 3.74Å; F516-Y547 HydrophobicContact CZ-CE1 3.74Å; F516-K552 HydrophobicContact CZ-CB 4.21Å
517	K	88.3	Confident	93.9	Very high	188 Å²	188	51.2 Å²	51.2	82%	0.817	26%	0.257	S	S	*	.	S	Bend	trans	-75.3	56	173.6	-63.3	-174.8	178.6	-176.6	0	111.4
518	C	93.7	Very high	94.1	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.054	26%	0.255	C	S	.	.			trans	-152.8	111.8	-179.1	-167.4	0	0	0	0	110.8	H497 F516 Y520 V521 C536 G538	H497-C518 PolarHBondContact CE1-O 3.28Å; H497-C518 PolarHBondContact ND1-O 3.13Å; F516-C518 PolarHBondContact O-N 3.16Å; C518-Y520 PolarHBondContact SG-O 3.49Å; C518-Y520 VanDerWaalsContact SG-O 3.36Å; C518-V521 HydrophobicContact CB-CG1 4.08Å; C518-C536 HydrophobicContact CB-CB 3.92Å; C518-C536 WeakPolarHBondContact CB-SG 3.34Å; C518-C536 WeakPolarHBondContact SG-CA 3.32Å; C518-C536 WeakPolarHBondContact SG-CB 3.43Å; C518-C536 CovalentContact SG-SG 2.03Å; C518-C536 PolarHBondContact SG-SG 2.91Å; C518-G538 CarbonylContact C-O 3.53Å; C518-G538 PolarHBondContact SG-O 3.16Å
519	G	93.2	Very high	94.2	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	24%	0.237	C	C	.	.	S	Bend	trans	-81.9	-18.1	-179.7	0	0	0	0	0	114.1	R495 R496 G538	R495-G519 CarbonylContact C-O 3.59Å; R495-G519 WeakPolarHBondContact CA-O 3.42Å; R495-G519 WeakPolarHBondContact CB-O 3.45Å; R495-G519 WeakPolarHBondContact CG-O 3.45Å; R496-G519 PolarHBondContact N-O 3.31Å; G519-G538 PolarHBondContact N-O 3.36Å
520	Y	96.7	Very high	94.1	Very high	36 Å²	36	46.3 Å²	46.3	14%	0.141	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	104.3	178.5	-155	-67.9	0	0	0	110.7	R496 C518 K537 G538 T620 Q622	R496-Y520 HydrophobicContact CB-CD1 4.18Å; R496-Y520 HydrophobicContact CB-CD2 4.3Å; R496-Y520 HydrophobicContact CB-CE1 4.15Å; R496-Y520 HydrophobicContact CB-CE2 4.3Å; R496-Y520 HydrophobicContact CB-CG 4.26Å; R496-Y520 HydrophobicContact CG-CD1 4.18Å; R496-Y520 HydrophobicContact CG-CD2 3.88Å; R496-Y520 HydrophobicContact CG-CE1 3.73Å; R496-Y520 HydrophobicContact CG-CE2 3.42Å; R496-Y520 VanDerWaalsContact CG-CE2 3.42Å; R496-Y520 HydrophobicContact CG-CG 4.25Å; C518-Y520 PolarHBondContact SG-O 3.49Å; C518-Y520 VanDerWaalsContact SG-O 3.36Å; Y520-K537 HydrophobicContact CD1-CB 4.09Å; Y520-K537 WeakPolarHBondContact O-CA 3.31Å; Y520-K537 PolarHBondContact O-N 3.02Å; Y520-G538 PolarHBondContact N-O 2.9Å; Y520-T620 VanDerWaalsContact CD2-OG1 3.24Å; Y520-T620 WeakPolarHBondContact CD2-OG1 3.29Å; Y520-T620 VanDerWaalsContact CE2-OG1 3.24Å; Y520-T620 WeakPolarHBondContact CE2-OG1 3.38Å; Y520-Q622 HydrophobicContact CD1-CG 3.72Å; Y520-Q622 HydrophobicContact CD2-CG 3.66Å; Y520-Q622 HydrophobicContact CE1-CG 3.92Å; Y520-Q622 HydrophobicContact CE2-CG 3.85Å; Y520-Q622 HydrophobicContact CG-CG 3.58Å; Y520-Q622 PolarHBondContact OH-NE2 2.97Å
521	V	96.9	Very high	94.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	152.5	178.9	-49.8	0	0	0	0	112.5	L487 R496 L498 C518 V523 L534	L487-V521 HydrophobicContact CD2-CG2 3.99Å; R496-V521 WeakPolarHBondContact O-CG2 3.45Å; R496-V521 PolarHBondContact O-N 2.99Å; L498-V521 HydrophobicContact CB-CG2 4.32Å; C518-V521 HydrophobicContact CB-CG1 4.08Å; V521-V523 HydrophobicContact CB-CG2 4.5Å; V521-V523 HydrophobicContact CG2-CG2 4.07Å; V521-L534 HydrophobicContact CB-CD1 4.27Å; V521-L534 HydrophobicContact CB-CD2 4.42Å; V521-L534 HydrophobicContact CB-CG 4.15Å; V521-L534 HydrophobicContact CG1-CD1 4.05Å; V521-L534 HydrophobicContact CG1-CD2 4.05Å; V521-L534 HydrophobicContact CG1-CG 4.18Å
522	D	96.8	Very high	94.3	Very high	63 Å²	63	42.9 Å²	42.9	34%	0.337	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	145.9	162.5	-166	1.1	0	0	0	108.3	S535 K537	D522-S535 PolarHBondContact N-O 2.94Å; D522-S535 PolarHBondContact O-N 2.96Å; D522-K537 HydrophobicContact CB-CD 4.04Å; D522-K537 IonicContact OD2-NZ 3.84Å; D522-K537 PolarHBondContact OD2-NZ 3.1Å
523	V	96.9	Very high	94.5	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	134.6	-165.6	174.9	0	0	0	0	112.2	L475 L487 L498 V521 F525 F532 L533 L534	L475-V523 HydrophobicContact CD1-CB 3.74Å; L475-V523 HydrophobicContact CD1-CG1 4.01Å; L487-V523 HydrophobicContact CD2-CG2 4.44Å; L498-V523 HydrophobicContact CB-CG2 4.23Å; L498-V523 HydrophobicContact CD1-CB 4.36Å; L498-V523 HydrophobicContact CD1-CG1 4.15Å; L498-V523 HydrophobicContact CD1-CG2 4.36Å; L498-V523 HydrophobicContact CD2-CG1 4.12Å; L498-V523 HydrophobicContact CD2-CG2 4.18Å; L498-V523 HydrophobicContact CG-CG2 4.48Å; V521-V523 HydrophobicContact CB-CG2 4.5Å; V521-V523 HydrophobicContact CG2-CG2 4.07Å; V523-F525 HydrophobicContact CG1-CD2 4.18Å; V523-F525 HydrophobicContact CG1-CE2 3.78Å; V523-F525 HydrophobicContact CG1-CZ 4.28Å; V523-F532 HydrophobicContact CG1-CB 3.98Å; V523-F532 HydrophobicContact CG1-CD2 4.01Å; V523-F532 HydrophobicContact CG1-CG 4.37Å; V523-L533 VanDerWaalsContact CA-O 3.27Å; V523-L533 WeakPolarHBondContact CA-O 3Å; V523-L534 HydrophobicContact CG2-CB 4.32Å; V523-L534 HydrophobicContact CG2-CD1 4.27Å; V523-L534 HydrophobicContact CG2-CG 4.15Å
524	S	97	Very high	94.6	Very high	44 Å²	44	42.7 Å²	42.7	31%	0.308	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.9	168.1	71.8	0	0	0	0	111.4	W133 F532 L533	W133-S524 PolarHBondContact NE1-O 3.15Å; W133-S524 PolarHBondContact NE1-OG 3.45Å; S524-F532 CarbonylContact O-C 3.58Å; S524-F532 WeakPolarHBondContact O-CA 3.3Å; S524-L533 PolarHBondContact N-O 2.82Å; S524-L533 PolarHBondContact O-N 2.82Å
525	F	96.8	Very high	94.8	Very high	23 Å²	23	41.2 Å²	41.2	10%	0.101	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	150	-178.6	-76	-92.6	0	0	0	112	W133 L475 A476 Y485 L498 V523 M529 F532 T549	W133-F525 VanDerWaalsContact CD1-C 3.41Å; L475-F525 HydrophobicContact CB-CD2 4.07Å; L475-F525 HydrophobicContact CB-CE2 3.99Å; L475-F525 HydrophobicContact CD1-CE2 3.96Å; A476-F525 HydrophobicContact CB-CB 4.1Å; A476-F525 HydrophobicContact CB-CD2 3.67Å; A476-F525 HydrophobicContact CB-CE2 4.29Å; A476-F525 HydrophobicContact CB-CG 3.89Å; Y485-F525 AromaticContact CD1-CE1 3.99Å; Y485-F525 HydrophobicContact CD1-CE1 3.99Å; Y485-F525 HydrophobicContact CD1-CE2 4.44Å; Y485-F525 AromaticContact CD1-CZ 3.55Å; Y485-F525 HydrophobicContact CD1-CZ 3.55Å; Y485-F525 HydrophobicContact CD2-CE1 4.09Å; Y485-F525 HydrophobicContact CD2-CE2 4.4Å; Y485-F525 AromaticContact CD2-CZ 3.96Å; Y485-F525 HydrophobicContact CD2-CZ 3.96Å; Y485-F525 HydrophobicContact CE1-CE1 4.21Å; Y485-F525 HydrophobicContact CE1-CZ 4.22Å; Y485-F525 HydrophobicContact CE2-CE1 4.31Å; Y485-F525 AromaticContact CG-CE1 3.93Å; Y485-F525 HydrophobicContact CG-CE1 3.93Å; Y485-F525 AromaticContact CG-CE2 3.91Å; Y485-F525 HydrophobicContact CG-CE2 3.91Å; Y485-F525 AromaticContact CG-CZ 3.4Å; Y485-F525 HydrophobicContact CG-CZ 3.4Å; L498-F525 HydrophobicContact CD1-CE2 4.1Å; L498-F525 HydrophobicContact CD1-CZ 4.08Å; L498-F525 HydrophobicContact CD2-CZ 4.31Å; V523-F525 HydrophobicContact CG1-CD2 4.18Å; V523-F525 HydrophobicContact CG1-CE2 3.78Å; V523-F525 HydrophobicContact CG1-CZ 4.28Å; F525-M529 HydrophobicContact CB-CB 4.41Å; F525-M529 HydrophobicContact CB-CG 3.95Å; F525-M529 HydrophobicContact CD1-CB 3.81Å; F525-M529 HydrophobicContact CD1-CG 4.08Å; F525-M529 HydrophobicContact CG-CB 4.4Å; F525-M529 HydrophobicContact CG-CG 4.17Å; F525-F532 HydrophobicContact CD1-CB 3.75Å; F525-F532 HydrophobicContact CE1-CB 3.73Å; F525-F532 HydrophobicContact CE1-CD1 4.4Å; F525-F532 HydrophobicContact CE1-CG 4.33Å; F525-F532 HydrophobicContact CG-CB 4.24Å; F525-F532 HydrophobicContact CZ-CB 4.18Å; F525-T549 HydrophobicContact CE1-CG2 4.25Å
526	S	96.6	Very high	95.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.171	C	C	.	.			trans	-62	161.7	163.3	68.1	0	0	0	0	110.9	D136 N528 M529 E530 Y531	D136-S526 VanDerWaalsContact O-CB 3.25Å; D136-S526 WeakPolarHBondContact O-CB 3.27Å; S526-N528 PolarHBondContact O-N 2.88Å; S526-N528 VanDerWaalsContact O-N 3.11Å; S526-N528 PolarHBondContact OG-OD1 2.93Å; S526-M529 PolarHBondContact O-N 3.08Å; S526-M529 PolarHBondContact OG-N 3.33Å; S526-E530 PolarHBondContact OG-N 3.34Å; S526-Y531 PolarHBondContact N-O 2.89Å; S526-Y531 PolarHBondContact OG-N 3.36Å; S526-Y531 PolarHBondContact OG-O 2.82Å
527	H	92.9	Very high	95.5	Very high	107 Å²	107	36 Å²	36	50%	0.495	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26	-174	-72	82.9	0	0	0	114.2	S135 D136 M529	S135-H527 VanDerWaalsContact C-ND1 3.28Å; S135-H527 WeakPolarHBondContact CA-ND1 3.31Å; S135-H527 PolarHBondContact O-N 2.81Å; S135-H527 PolarHBondContact O-ND1 2.78Å; D136-H527 VanDerWaalsContact OD1-CB 3.23Å; D136-H527 WeakPolarHBondContact OD1-CB 3.45Å; H527-M529 WeakPolarHBondContact O-CE 3.22Å
528	N	92.4	Very high	95.8	Very high	38 Å²	38	27 Å²	27	20%	0.203	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	1.3	173.5	68.8	-5.2	0	0	0	114.8	D136 S526 E530	D136-N528 HydrophobicContact CB-CB 4.35Å; D136-N528 WeakPolarHBondContact OD1-CB 3.43Å; D136-N528 PolarHBondContact OD1-N 3.34Å; S526-N528 PolarHBondContact O-N 2.88Å; S526-N528 VanDerWaalsContact O-N 3.11Å; S526-N528 PolarHBondContact OG-OD1 2.93Å; N528-E530 WeakPolarHBondContact ND2-CB 3.06Å; N528-E530 PolarHBondContact ND2-OE2 2.85Å; N528-E530 PolarHBondContact O-N 2.85Å; N528-E530 WeakPolarHBondContact OD1-CB 3.34Å; N528-E530 PolarHBondContact OD1-N 3.35Å
529	M	94.9	Very high	95.8	Very high	31 Å²	31	29.6 Å²	29.6	15%	0.153	15%	0.154	C	C	.	.	S	Bend	trans	54	28	-174.7	-50.7	89.6	-156.1	0	0	114.6	A476 R478 Y485 F525 S526 H527 T549	A476-M529 HydrophobicContact CB-CE 4.18Å; A476-M529 HydrophobicContact CB-CG 3.8Å; R478-M529 HydrophobicContact CB-SD 4.46Å; Y485-M529 HydrophobicContact CE2-CB 4.3Å; F525-M529 HydrophobicContact CB-CB 4.41Å; F525-M529 HydrophobicContact CB-CG 3.95Å; F525-M529 HydrophobicContact CD1-CB 3.81Å; F525-M529 HydrophobicContact CD1-CG 4.08Å; F525-M529 HydrophobicContact CG-CB 4.4Å; F525-M529 HydrophobicContact CG-CG 4.17Å; S526-M529 PolarHBondContact O-N 3.08Å; S526-M529 PolarHBondContact OG-N 3.33Å; H527-M529 WeakPolarHBondContact O-CE 3.22Å; M529-T549 WeakPolarHBondContact O-CB 3.47Å; M529-T549 PolarHBondContact O-OG1 2.9Å
530	E	94.3	Very high	95.7	Very high	74 Å²	74	34 Å²	34	35%	0.346	18%	0.177	S	C	.	.	S	Bend	trans	-79.2	-29.8	173.8	-171.7	162.7	-130	0	0	112.3	S526 N528 T549	S526-E530 PolarHBondContact OG-N 3.34Å; N528-E530 WeakPolarHBondContact ND2-CB 3.06Å; N528-E530 PolarHBondContact ND2-OE2 2.85Å; N528-E530 PolarHBondContact O-N 2.85Å; N528-E530 WeakPolarHBondContact OD1-CB 3.34Å; N528-E530 PolarHBondContact OD1-N 3.35Å; E530-T549 VanDerWaalsContact C-OG1 3.28Å; E530-T549 WeakPolarHBondContact O-CB 3.38Å; E530-T549 PolarHBondContact O-N 3.36Å; E530-T549 PolarHBondContact O-OG1 3.27Å; E530-T549 VanDerWaalsContact O-OG1 3.12Å
531	Y	96.5	Very high	95.6	Very high	15 Å²	15	33.4 Å²	33.4	6%	0.059	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155.6	172.4	-58.6	-81.2	0	0	0	110.5	W133 V153 S526 V546 Y547 R548 V555	W133-Y531 HydrophobicContact CH2-CG 4.37Å; V153-Y531 HydrophobicContact CG1-CD1 3.76Å; V153-Y531 HydrophobicContact CG1-CD2 4.41Å; V153-Y531 HydrophobicContact CG1-CE1 3.79Å; V153-Y531 HydrophobicContact CG1-CE2 4.45Å; V153-Y531 HydrophobicContact CG1-CG 4.09Å; S526-Y531 PolarHBondContact N-O 2.89Å; S526-Y531 PolarHBondContact OG-N 3.36Å; S526-Y531 PolarHBondContact OG-O 2.82Å; Y531-V546 HydrophobicContact CD1-CG1 4.31Å; Y531-Y547 CarbonylContact C-O 3.6Å; Y531-Y547 VanDerWaalsContact CA-O 3.31Å; Y531-Y547 WeakPolarHBondContact CA-O 3.33Å; Y531-R548 HydrophobicContact CD1-CB 4.08Å; Y531-R548 HydrophobicContact CD1-CG 4.3Å; Y531-R548 HydrophobicContact CE1-CB 4.03Å; Y531-R548 HydrophobicContact CE1-CG 4.02Å; Y531-V555 HydrophobicContact CD1-CG2 4.3Å; Y531-V555 HydrophobicContact CE1-CG2 4.13Å
532	F	97.1	Very high	95.6	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138	167.3	66.4	-87.8	0	0	0	110.5	L498 F516 V523 S524 F525 L534 Y547	L498-F532 HydrophobicContact CD2-CD2 4.03Å; L498-F532 HydrophobicContact CD2-CE2 3.91Å; L498-F532 HydrophobicContact CD2-CG 4.45Å; L498-F532 HydrophobicContact CD2-CZ 4.24Å; F516-F532 HydrophobicContact CE2-CE2 4.47Å; F516-F532 HydrophobicContact CE2-CZ 4.39Å; V523-F532 HydrophobicContact CG1-CB 3.98Å; V523-F532 HydrophobicContact CG1-CD2 4.01Å; V523-F532 HydrophobicContact CG1-CG 4.37Å; S524-F532 CarbonylContact O-C 3.58Å; S524-F532 WeakPolarHBondContact O-CA 3.3Å; F525-F532 HydrophobicContact CD1-CB 3.75Å; F525-F532 HydrophobicContact CE1-CB 3.73Å; F525-F532 HydrophobicContact CE1-CD1 4.4Å; F525-F532 HydrophobicContact CE1-CG 4.33Å; F525-F532 HydrophobicContact CG-CB 4.24Å; F525-F532 HydrophobicContact CZ-CB 4.18Å; F532-L534 HydrophobicContact CD2-CB 4.05Å; F532-L534 HydrophobicContact CE2-CB 3.99Å; F532-L534 HydrophobicContact CE2-CD1 3.93Å; F532-Y547 HydrophobicContact CD2-CD2 4.49Å; F532-Y547 AromaticContact CE2-CD2 3.96Å; F532-Y547 HydrophobicContact CE2-CD2 3.96Å; F532-Y547 AromaticContact CE2-CG 3.94Å; F532-Y547 HydrophobicContact CE2-CG 3.94Å; F532-Y547 HydrophobicContact CZ-CD2 4.41Å; F532-Y547 AromaticContact CZ-CG 3.91Å; F532-Y547 HydrophobicContact CZ-CG 3.91Å; F532-Y547 PolarHBondContact N-O 3.23Å; F532-Y547 PolarHBondContact O-N 3.19Å
533	L	97.5	Very high	95.6	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.8	167.3	-175.7	81.5	0	0	0	106.9	A131 W133 L139 V523 S524 V544 V546 V558	A131-L533 HydrophobicContact CB-CD1 4.39Å; A131-L533 HydrophobicContact CB-CD2 3.68Å; W133-L533 HydrophobicContact CZ2-CB 4.2Å; L139-L533 HydrophobicContact CD1-CD1 4.3Å; L139-L533 HydrophobicContact CD2-CD1 3.86Å; V523-L533 VanDerWaalsContact CA-O 3.27Å; V523-L533 WeakPolarHBondContact CA-O 3Å; S524-L533 PolarHBondContact N-O 2.82Å; S524-L533 PolarHBondContact O-N 2.82Å; L533-V544 HydrophobicContact CD1-CG1 3.59Å; L533-V544 HydrophobicContact CD2-CG1 4.1Å; L533-V544 HydrophobicContact CG-CG1 3.84Å; L533-V546 HydrophobicContact CD1-CG2 3.8Å; L533-V558 HydrophobicContact CD1-CG2 3.91Å
534	L	97.1	Very high	95.6	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.4	173.8	-176.8	149.9	0	0	0	109.2	F516 V521 V523 F532 C536 V544 A545 Y547	F516-L534 HydrophobicContact CD2-CD1 3.68Å; F516-L534 HydrophobicContact CE2-CD1 3.7Å; V521-L534 HydrophobicContact CB-CD1 4.27Å; V521-L534 HydrophobicContact CB-CD2 4.42Å; V521-L534 HydrophobicContact CB-CG 4.15Å; V521-L534 HydrophobicContact CG1-CD1 4.05Å; V521-L534 HydrophobicContact CG1-CD2 4.05Å; V521-L534 HydrophobicContact CG1-CG 4.18Å; V523-L534 HydrophobicContact CG2-CB 4.32Å; V523-L534 HydrophobicContact CG2-CD1 4.27Å; V523-L534 HydrophobicContact CG2-CG 4.15Å; F532-L534 HydrophobicContact CD2-CB 4.05Å; F532-L534 HydrophobicContact CE2-CB 3.99Å; F532-L534 HydrophobicContact CE2-CD1 3.93Å; L534-C536 HydrophobicContact CD2-CB 4.19Å; L534-V544 WeakPolarHBondContact O-CA 3.45Å; L534-A545 PolarHBondContact N-O 3.26Å; L534-A545 PolarHBondContact O-N 3.33Å; L534-Y547 HydrophobicContact CB-CD2 3.83Å; L534-Y547 HydrophobicContact CB-CE2 3.8Å; L534-Y547 HydrophobicContact CD2-CE2 4.35Å; L534-Y547 HydrophobicContact CG-CE2 4.49Å
535	S	96.9	Very high	95.6	Very high	24 Å²	24	31.4 Å²	31.4	17%	0.168	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	102.3	170.1	-61.6	0	0	0	0	108.3	D522 K537 S543	D522-S535 PolarHBondContact N-O 2.94Å; D522-S535 PolarHBondContact O-N 2.96Å; S535-K537 PolarHBondContact O-N 2.84Å; S535-S543 CarbonylContact C-O 3.59Å
536	C	96.8	Very high	95.6	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.3	169	-179	0	0	0	0	109.3	C518 L534 P542 S543	C518-C536 HydrophobicContact CB-CB 3.92Å; C518-C536 WeakPolarHBondContact CB-SG 3.34Å; C518-C536 WeakPolarHBondContact SG-CA 3.32Å; C518-C536 WeakPolarHBondContact SG-CB 3.43Å; C518-C536 CovalentContact SG-SG 2.03Å; C518-C536 PolarHBondContact SG-SG 2.91Å; L534-C536 HydrophobicContact CD2-CB 4.19Å; C536-P542 WeakPolarHBondContact O-CA 3.26Å; C536-P542 WeakPolarHBondContact O-CB 3.36Å; C536-S543 PolarHBondContact N-O 2.97Å; C536-S543 PolarHBondContact O-N 3.25Å; C536-S543 VanDerWaalsContact O-N 3.16Å
537	K	96.2	Very high	95.6	Very high	70 Å²	70	31.8 Å²	31.8	30%	0.304	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-3.7	179.8	-65.1	-178.8	172.9	176.3	0	113	Y520 D522 S535 Q622 F623	Y520-K537 HydrophobicContact CD1-CB 4.09Å; Y520-K537 WeakPolarHBondContact O-CA 3.31Å; Y520-K537 PolarHBondContact O-N 3.02Å; D522-K537 HydrophobicContact CB-CD 4.04Å; D522-K537 IonicContact OD2-NZ 3.84Å; D522-K537 PolarHBondContact OD2-NZ 3.1Å; S535-K537 PolarHBondContact O-N 2.84Å; K537-Q622 HydrophobicContact CB-CG 4.48Å; K537-Q622 WeakPolarHBondContact O-CA 3.21Å; K537-F623 WeakPolarHBondContact O-CB 3.36Å; K537-F623 PolarHBondContact O-N 3.42Å
538	G	94.5	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.5	175.8	173.2	0	0	0	0	0	114.3	C518 G519 Y520 D540 E621	C518-G538 CarbonylContact C-O 3.53Å; C518-G538 PolarHBondContact SG-O 3.16Å; G519-G538 PolarHBondContact N-O 3.36Å; Y520-G538 PolarHBondContact N-O 2.9Å; G538-D540 WeakPolarHBondContact CA-O 3.45Å; G538-E621 CarbonylContact C-O 3.54Å; G538-E621 WeakPolarHBondContact CA-O 3.48Å
539	P	92.8	Very high	95.7	Very high	62 Å²	62	29.1 Å²	29.1	40%	0.403	15%	0.152	S	C	.	.	S	Bend	cis	-80.2	-20.4	8.8	31.5	-36.3	0	0	0	115.3	E621	P539-E621 WeakPolarHBondContact CA-O 3.47Å; P539-E621 HydrophobicContact CB-CB 4.33Å; P539-E621 HydrophobicContact CB-CG 4.4Å
540	D	92.6	Very high	95.5	Very high	97 Å²	97	38.2 Å²	38.2	52%	0.519	19%	0.185	S	C	.	.	S	Bend	trans	-71.3	174.2	174.1	-67.8	-26	0	0	0	111.7	G538	G538-D540 WeakPolarHBondContact CA-O 3.45Å
541	I	94.7	Very high	95.3	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.118	19%	0.187	C	C	.	.	S	Bend	trans	-57	129.9	-179.1	-65.4	118.4	0	0	0	111.1	I126 S543 N561 V564 N565 Y568 F623	I126-I541 HydrophobicContact CD1-CG2 4.29Å; I541-S543 PolarHBondContact O-N 2.86Å; I541-N561 HydrophobicContact CG2-CB 3.84Å; I541-V564 HydrophobicContact CG2-CB 4.34Å; I541-V564 HydrophobicContact CG2-CG1 4.3Å; I541-N565 HydrophobicContact CD1-CB 3.91Å; I541-N565 VanDerWaalsContact CD1-OD1 3.23Å; I541-N565 WeakPolarHBondContact CD1-OD1 3.45Å; I541-Y568 HydrophobicContact CD1-CD1 4.11Å; I541-Y568 HydrophobicContact CD1-CG 4.2Å; I541-Y568 HydrophobicContact CG1-CG 4.38Å; I541-F623 HydrophobicContact CG1-CD2 4.44Å; I541-F623 HydrophobicContact CG1-CE2 3.77Å; I541-F623 HydrophobicContact CG1-CZ 4.13Å
542	P	95.9	Very high	95.1	Very high	18 Å²	18	40 Å²	40	12%	0.117	20%	0.195	C	C	.	.			trans	-53.1	133.2	-178.9	-32.1	34.6	0	0	0	114.4	I126 C536 N561 F623	I126-P542 HydrophobicContact CD1-CB 4.29Å; I126-P542 HydrophobicContact CD1-CG 3.92Å; I126-P542 HydrophobicContact CG1-CG 4.35Å; I126-P542 HydrophobicContact CG2-CB 4.15Å; I126-P542 HydrophobicContact CG2-CG 4.43Å; C536-P542 WeakPolarHBondContact O-CA 3.26Å; C536-P542 WeakPolarHBondContact O-CB 3.36Å; P542-N561 PolarHBondContact O-ND2 3.21Å; P542-F623 VanDerWaalsContact CD-CD1 3.44Å; P542-F623 VanDerWaalsContact CD-CG 3.46Å; P542-F623 HydrophobicContact CG-CB 3.92Å; P542-F623 HydrophobicContact CG-CD1 3.9Å; P542-F623 HydrophobicContact CG-CG 4.11Å
543	S	96.3	Very high	94.9	Very high	42 Å²	42	45 Å²	45	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.9	-179.5	49.7	0	0	0	0	110.3	S535 C536 I541 E559	S535-S543 CarbonylContact C-O 3.59Å; C536-S543 PolarHBondContact N-O 2.97Å; C536-S543 PolarHBondContact O-N 3.25Å; C536-S543 VanDerWaalsContact O-N 3.16Å; I541-S543 PolarHBondContact O-N 2.86Å; S543-E559 CarbonylContact C-O 3.35Å; S543-E559 WeakPolarHBondContact CA-O 3.21Å; S543-E559 WeakPolarHBondContact CB-O 3.46Å
544	V	97.1	Very high	94.8	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.2	-177.4	-174	0	0	0	0	108.5	P129 L533 L534 V558 E559	P129-V544 HydrophobicContact CG-CB 4.07Å; P129-V544 HydrophobicContact CG-CG1 4.26Å; P129-V544 HydrophobicContact CG-CG2 3.84Å; L533-V544 HydrophobicContact CD1-CG1 3.59Å; L533-V544 HydrophobicContact CD2-CG1 4.1Å; L533-V544 HydrophobicContact CG-CG1 3.84Å; L534-V544 WeakPolarHBondContact O-CA 3.45Å; V544-V558 HydrophobicContact CB-CB 4.28Å; V544-V558 HydrophobicContact CG1-CB 4.11Å; V544-V558 HydrophobicContact CG1-CG1 4.46Å; V544-V558 WeakPolarHBondContact O-CA 3.33Å; V544-V558 WeakPolarHBondContact O-CB 3.28Å; V544-V558 PolarHBondContact O-N 3.29Å; V544-E559 HydrophobicContact CB-CB 4.29Å; V544-E559 HydrophobicContact CG2-CB 4.46Å; V544-E559 PolarHBondContact N-O 3.19Å; V544-E559 PolarHBondContact O-N 3.11Å
545	A	96.7	Very high	94.7	Very high	5 Å²	5	50.4 Å²	50.4	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.9	-180	0	0	0	0	0	111.9	L534 Y547 K554 F556	L534-A545 PolarHBondContact N-O 3.26Å; L534-A545 PolarHBondContact O-N 3.33Å; A545-Y547 HydrophobicContact CB-CD2 4.41Å; A545-Y547 HydrophobicContact CB-CE2 3.66Å; A545-Y547 WeakPolarHBondContact O-CD2 3.36Å; A545-K554 HydrophobicContact CB-CD 3.98Å; A545-K554 HydrophobicContact CB-CG 4.12Å; A545-F556 CarbonylContact C-O 3.56Å; A545-F556 VanDerWaalsContact CA-O 3.28Å; A545-F556 WeakPolarHBondContact CA-O 3.44Å; A545-F556 WeakPolarHBondContact CB-O 3.49Å
546	V	97.1	Very high	94.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.6	174.6	-179.1	0	0	0	0	109.3	W133 L139 V153 Y531 L533 V555 F556 V558	W133-V546 HydrophobicContact CH2-CG1 3.85Å; W133-V546 HydrophobicContact CH2-CG2 4.48Å; W133-V546 HydrophobicContact CZ2-CG1 4.2Å; L139-V546 HydrophobicContact CD2-CG2 3.88Å; V153-V546 HydrophobicContact CG1-CG1 3.77Å; V153-V546 HydrophobicContact CG2-CG1 4.18Å; V153-V546 HydrophobicContact CG2-CG2 4.48Å; Y531-V546 HydrophobicContact CD1-CG1 4.31Å; L533-V546 HydrophobicContact CD1-CG2 3.8Å; V546-V555 PolarHBondContact O-N 3.43Å; V546-F556 HydrophobicContact CB-CB 4.36Å; V546-F556 PolarHBondContact N-O 3.15Å; V546-F556 PolarHBondContact O-N 3.01Å; V546-V558 HydrophobicContact CG2-CG2 3.84Å
547	Y	96.4	Very high	94.5	Very high	32 Å²	32	54.4 Å²	54.4	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.2	177.8	-65.1	-99.2	0	0	0	110.3	F516 Y531 F532 L534 A545 E553 K554	F516-Y547 HydrophobicContact CE1-CD1 4.43Å; F516-Y547 HydrophobicContact CE1-CE1 4.06Å; F516-Y547 HydrophobicContact CE2-CD1 4.29Å; F516-Y547 HydrophobicContact CE2-CE1 4.1Å; F516-Y547 AromaticContact CZ-CD1 3.81Å; F516-Y547 HydrophobicContact CZ-CD1 3.81Å; F516-Y547 AromaticContact CZ-CE1 3.74Å; F516-Y547 HydrophobicContact CZ-CE1 3.74Å; Y531-Y547 CarbonylContact C-O 3.6Å; Y531-Y547 VanDerWaalsContact CA-O 3.31Å; Y531-Y547 WeakPolarHBondContact CA-O 3.33Å; F532-Y547 HydrophobicContact CD2-CD2 4.49Å; F532-Y547 AromaticContact CE2-CD2 3.96Å; F532-Y547 HydrophobicContact CE2-CD2 3.96Å; F532-Y547 AromaticContact CE2-CG 3.94Å; F532-Y547 HydrophobicContact CE2-CG 3.94Å; F532-Y547 HydrophobicContact CZ-CD2 4.41Å; F532-Y547 AromaticContact CZ-CG 3.91Å; F532-Y547 HydrophobicContact CZ-CG 3.91Å; F532-Y547 PolarHBondContact N-O 3.23Å; F532-Y547 PolarHBondContact O-N 3.19Å; L534-Y547 HydrophobicContact CB-CD2 3.83Å; L534-Y547 HydrophobicContact CB-CE2 3.8Å; L534-Y547 HydrophobicContact CD2-CE2 4.35Å; L534-Y547 HydrophobicContact CG-CE2 4.49Å; A545-Y547 HydrophobicContact CB-CD2 4.41Å; A545-Y547 HydrophobicContact CB-CE2 3.66Å; A545-Y547 WeakPolarHBondContact O-CD2 3.36Å; Y547-E553 CarbonylContact C-O 3.56Å; Y547-E553 VanDerWaalsContact CA-O 3.23Å; Y547-E553 WeakPolarHBondContact CA-O 3.25Å; Y547-K554 HydrophobicContact CD1-CB 3.85Å; Y547-K554 HydrophobicContact CD1-CG 4.15Å; Y547-K554 HydrophobicContact CE1-CB 3.57Å; Y547-K554 HydrophobicContact CE1-CD 4.2Å; Y547-K554 HydrophobicContact CE1-CG 3.71Å; Y547-K554 HydrophobicContact CE2-CG 4.36Å
548	R	95.6	Very high	94.5	Very high	74 Å²	74	51.7 Å²	51.7	28%	0.279	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.8	171.3	-172	-168.5	-61.4	123.3	4.7	109.7	Y531 R550 D551 K552 E553 V555	Y531-R548 HydrophobicContact CD1-CB 4.08Å; Y531-R548 HydrophobicContact CD1-CG 4.3Å; Y531-R548 HydrophobicContact CE1-CB 4.03Å; Y531-R548 HydrophobicContact CE1-CG 4.02Å; R548-R550 VanDerWaalsContact C-N 3.26Å; R548-R550 PolarHBondContact O-N 3.23Å; R548-D551 WeakPolarHBondContact CB-OD1 3.42Å; R548-D551 WeakPolarHBondContact CD-OD2 3.47Å; R548-D551 IonicContact CZ-OD2 2.69Å; R548-D551 IonicContact NH1-OD1 3.36Å; R548-D551 IonicContact NH1-OD2 3.23Å; R548-D551 PolarHBondContact NH1-OD2 3.44Å; R548-K552 WeakPolarHBondContact O-CA 3.3Å; R548-K552 PolarHBondContact O-N 2.72Å; R548-E553 IonicContact CZ-OE2 3.53Å; R548-E553 PolarHBondContact N-O 3.01Å; R548-E553 IonicContact NH1-OE2 3.8Å; R548-E553 PolarHBondContact NH1-OE2 2.83Å; R548-E553 IonicContact NH2-OE2 2.73Å; R548-V555 HydrophobicContact CB-CG2 3.98Å
549	T	93.6	Very high	94.6	Very high	14 Å²	14	52.8 Å²	52.8	9%	0.086	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23	-172.1	-50.3	0	0	0	0	113.8	Y485 F525 M529 E530	Y485-T549 HydrophobicContact CE1-CG2 3.96Å; Y485-T549 WeakPolarHBondContact OH-CG2 3.33Å; F525-T549 HydrophobicContact CE1-CG2 4.25Å; M529-T549 WeakPolarHBondContact O-CB 3.47Å; M529-T549 PolarHBondContact O-OG1 2.9Å; E530-T549 VanDerWaalsContact C-OG1 3.28Å; E530-T549 WeakPolarHBondContact O-CB 3.38Å; E530-T549 PolarHBondContact O-N 3.36Å; E530-T549 PolarHBondContact O-OG1 3.27Å; E530-T549 VanDerWaalsContact O-OG1 3.12Å
550	R	89.4	Confident	94.7	Very high	222 Å²	222	52.3 Å²	52.3	84%	0.838	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-44.6	-172.3	-178.7	-178.1	179.4	-178.5	-1	113.6	R548	R548-R550 VanDerWaalsContact C-N 3.26Å; R548-R550 PolarHBondContact O-N 3.23Å
551	D	90.2	Very high	94.8	Very high	76 Å²	76	47.8 Å²	47.8	41%	0.406	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-6.2	-168.3	42	28.2	0	0	0	111.9	R548 E553	R548-D551 WeakPolarHBondContact CB-OD1 3.42Å; R548-D551 WeakPolarHBondContact CD-OD2 3.47Å; R548-D551 IonicContact CZ-OD2 2.69Å; R548-D551 IonicContact NH1-OD1 3.36Å; R548-D551 IonicContact NH1-OD2 3.23Å; R548-D551 PolarHBondContact NH1-OD2 3.44Å; D551-E553 PolarHBondContact O-N 2.86Å; D551-E553 WeakPolarHBondContact OD1-CB 3.09Å; D551-E553 PolarHBondContact OD1-N 2.88Å; D551-E553 VanDerWaalsContact OD1-N 3.12Å
552	K	92.4	Very high	94.7	Very high	51 Å²	51	53.5 Å²	53.5	22%	0.222	25%	0.251	C	S	.	.			trans	61.4	20	-173.5	-39.9	178.8	-161.1	176	0	112.5	C511 E515 F516 R548	C511-K552 PolarHBondContact O-NZ 3.09Å; E515-K552 IonicContact OE1-NZ 3.54Å; E515-K552 IonicContact OE2-NZ 3.6Å; E515-K552 PolarHBondContact OE2-NZ 3.47Å; F516-K552 HydrophobicContact CZ-CB 4.21Å; R548-K552 WeakPolarHBondContact O-CA 3.3Å; R548-K552 PolarHBondContact O-N 2.72Å
553	E	92.9	Very high	94.5	Very high	106 Å²	106	58.1 Å²	58.1	50%	0.495	27%	0.266	S	S	.	.			trans	-69.1	134.4	179.4	-174.9	176.8	-144.9	0	0	110.3	Y547 R548 D551 V555	Y547-E553 CarbonylContact C-O 3.56Å; Y547-E553 VanDerWaalsContact CA-O 3.23Å; Y547-E553 WeakPolarHBondContact CA-O 3.25Å; R548-E553 IonicContact CZ-OE2 3.53Å; R548-E553 PolarHBondContact N-O 3.01Å; R548-E553 IonicContact NH1-OE2 3.8Å; R548-E553 PolarHBondContact NH1-OE2 2.83Å; R548-E553 IonicContact NH2-OE2 2.73Å; D551-E553 PolarHBondContact O-N 2.86Å; D551-E553 WeakPolarHBondContact OD1-CB 3.09Å; D551-E553 PolarHBondContact OD1-N 2.88Å; D551-E553 VanDerWaalsContact OD1-N 3.12Å; E553-V555 PolarHBondContact O-N 2.8Å
554	K	94.8	Very high	94.4	Very high	99 Å²	99	56.1 Å²	56.1	43%	0.43	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.3	174.1	-165.5	-179.5	72.2	159.9	0	109.4	A545 Y547 D557	A545-K554 HydrophobicContact CB-CD 3.98Å; A545-K554 HydrophobicContact CB-CG 4.12Å; Y547-K554 HydrophobicContact CD1-CB 3.85Å; Y547-K554 HydrophobicContact CD1-CG 4.15Å; Y547-K554 HydrophobicContact CE1-CB 3.57Å; Y547-K554 HydrophobicContact CE1-CD 4.2Å; Y547-K554 HydrophobicContact CE1-CG 3.71Å; Y547-K554 HydrophobicContact CE2-CG 4.36Å; K554-D557 WeakPolarHBondContact CD-OD1 3.29Å; K554-D557 WeakPolarHBondContact CE-OD1 3.41Å; K554-D557 WeakPolarHBondContact CE-OD2 3.29Å; K554-D557 IonicContact NZ-OD1 2.67Å; K554-D557 PolarHBondContact NZ-OD1 3.36Å; K554-D557 IonicContact NZ-OD2 2.74Å; K554-D557 PolarHBondContact NZ-OD2 2.82Å
555	V	95	Very high	94.3	Very high	23 Å²	23	58.4 Å²	58.4	14%	0.139	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-37.2	-174.3	-176.3	0	0	0	0	111.8	V153 Q156 Y531 V546 R548 E553	V153-V555 HydrophobicContact CG1-CB 4.45Å; V153-V555 HydrophobicContact CG1-CG1 3.82Å; Q156-V555 PolarHBondContact NE2-O 2.88Å; Y531-V555 HydrophobicContact CD1-CG2 4.3Å; Y531-V555 HydrophobicContact CE1-CG2 4.13Å; V546-V555 PolarHBondContact O-N 3.43Å; R548-V555 HydrophobicContact CB-CG2 3.98Å; E553-V555 PolarHBondContact O-N 2.8Å
556	F	95	Very high	94.1	Very high	45 Å²	45	62.5 Å²	62.5	20%	0.197	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	141.5	-174.8	-167.9	-95.1	0	0	0	112.4	L151 E158 A545 V546 V558	L151-F556 HydrophobicContact CD1-CD2 4.43Å; L151-F556 HydrophobicContact CD1-CE2 4.37Å; L151-F556 HydrophobicContact CD2-CB 4.23Å; L151-F556 HydrophobicContact CD2-CD1 3.41Å; L151-F556 VanDerWaalsContact CD2-CD1 3.41Å; L151-F556 HydrophobicContact CD2-CD2 4.3Å; L151-F556 HydrophobicContact CD2-CE1 3.79Å; L151-F556 HydrophobicContact CD2-CG 3.7Å; L151-F556 HydrophobicContact CD2-CZ 4.39Å; E158-F556 WeakPolarHBondContact OE1-CZ 3.5Å; A545-F556 CarbonylContact C-O 3.56Å; A545-F556 VanDerWaalsContact CA-O 3.28Å; A545-F556 WeakPolarHBondContact CA-O 3.44Å; A545-F556 WeakPolarHBondContact CB-O 3.49Å; V546-F556 HydrophobicContact CB-CB 4.36Å; V546-F556 PolarHBondContact N-O 3.15Å; V546-F556 PolarHBondContact O-N 3.01Å; F556-V558 HydrophobicContact CD1-CG2 3.95Å; F556-V558 HydrophobicContact CE1-CG2 4.46Å
557	D	95.3	Very high	93.9	Very high	72 Å²	72	63.7 Å²	63.7	39%	0.385	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	107.8	173.1	-75	-52.6	0	0	0	110.1	K554 T560	K554-D557 WeakPolarHBondContact CD-OD1 3.29Å; K554-D557 WeakPolarHBondContact CE-OD1 3.41Å; K554-D557 WeakPolarHBondContact CE-OD2 3.29Å; K554-D557 IonicContact NZ-OD1 2.67Å; K554-D557 PolarHBondContact NZ-OD1 3.36Å; K554-D557 IonicContact NZ-OD2 2.74Å; K554-D557 PolarHBondContact NZ-OD2 2.82Å; D557-T560 HydrophobicContact CB-CG2 3.94Å
558	V	95.7	Very high	93.8	Very high	14 Å²	14	65.1 Å²	65.1	9%	0.085	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-41.9	-176.8	-177.7	0	0	0	0	111.5	P129 A131 L139 Y141 L533 V544 V546 F556	P129-V558 HydrophobicContact CB-CG1 4.11Å; P129-V558 HydrophobicContact CG-CG1 4.08Å; A131-V558 HydrophobicContact CB-CG1 4.4Å; L139-V558 HydrophobicContact CD2-CG1 4.46Å; L139-V558 HydrophobicContact CD2-CG2 3.78Å; Y141-V558 HydrophobicContact CD1-CG1 4.48Å; Y141-V558 HydrophobicContact CD2-CG1 3.53Å; Y141-V558 HydrophobicContact CE2-CG1 4.08Å; Y141-V558 HydrophobicContact CG-CG1 3.77Å; L533-V558 HydrophobicContact CD1-CG2 3.91Å; V544-V558 HydrophobicContact CB-CB 4.28Å; V544-V558 HydrophobicContact CG1-CB 4.11Å; V544-V558 HydrophobicContact CG1-CG1 4.46Å; V544-V558 WeakPolarHBondContact O-CA 3.33Å; V544-V558 WeakPolarHBondContact O-CB 3.28Å; V544-V558 PolarHBondContact O-N 3.29Å; V546-V558 HydrophobicContact CG2-CG2 3.84Å; F556-V558 HydrophobicContact CD1-CG2 3.95Å; F556-V558 HydrophobicContact CE1-CG2 4.46Å
559	E	96.1	Very high	93.6	Very high	23 Å²	23	65.2 Å²	65.2	11%	0.107	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	136.5	173.8	179.3	55.8	-92.1	0	0	109.8	H127 P129 S543 V544 N561	H127-E559 IonicContact CE1-OE2 2.81Å; H127-E559 IonicContact CG-OE2 2.69Å; H127-E559 IonicContact ND1-OE2 3.85Å; H127-E559 PolarHBondContact ND1-OE2 3.4Å; P129-E559 HydrophobicContact CB-CB 4.4Å; P129-E559 HydrophobicContact CG-CB 3.96Å; S543-E559 CarbonylContact C-O 3.35Å; S543-E559 WeakPolarHBondContact CA-O 3.21Å; S543-E559 WeakPolarHBondContact CB-O 3.46Å; V544-E559 HydrophobicContact CB-CB 4.29Å; V544-E559 HydrophobicContact CG2-CB 4.46Å; V544-E559 PolarHBondContact N-O 3.19Å; V544-E559 PolarHBondContact O-N 3.11Å; E559-N561 WeakPolarHBondContact OE1-CA 3.36Å; E559-N561 PolarHBondContact OE1-N 3.5Å
560	T	94.9	Very high	93.6	Very high	52 Å²	52	69.9 Å²	69.9	32%	0.319	33%	0.328	S	S	.	.			trans	-123.3	-4.1	-177.9	49.5	0	0	0	0	113.1	D557 K562	D557-T560 HydrophobicContact CB-CG2 3.94Å; T560-K562 PolarHBondContact O-N 3.31Å; T560-K562 VanDerWaalsContact O-N 3.1Å; T560-K562 WeakPolarHBondContact OG1-CE 3.42Å
561	N	95.3	Very high	93.8	Very high	1 Å²	1	60 Å²	60	1%	0.005	29%	0.292	C	S	.	.			trans	49.1	35.8	178.4	-83.5	-64.8	0	0	0	114	H127 I541 P542 E559 R563 V564 N565	H127-N561 PolarHBondContact N-OD1 3.46Å; H127-N561 PolarHBondContact O-ND2 2.74Å; H127-N561 VanDerWaalsContact O-ND2 3.16Å; I541-N561 HydrophobicContact CG2-CB 3.84Å; P542-N561 PolarHBondContact O-ND2 3.21Å; E559-N561 WeakPolarHBondContact OE1-CA 3.36Å; E559-N561 PolarHBondContact OE1-N 3.5Å; N561-R563 VanDerWaalsContact C-N 3.34Å; N561-R563 PolarHBondContact O-N 3.05Å; N561-V564 HydrophobicContact CB-CB 4.24Å; N561-V564 HydrophobicContact CB-CG2 4.19Å; N561-V564 WeakPolarHBondContact O-CA 3.21Å; N561-V564 WeakPolarHBondContact O-CB 3.1Å; N561-V564 PolarHBondContact O-N 3.33Å; N561-N565 PolarHBondContact O-N 3.39Å
562	K	93.5	Very high	94	Very high	143 Å²	143	58 Å²	58	62%	0.622	28%	0.28	S	S	*	.	H	α-helix	trans	-46	-51	-175.7	-69.4	177	-177.3	175.1	0	113.5	T560 V564 N565 D566	T560-K562 PolarHBondContact O-N 3.31Å; T560-K562 VanDerWaalsContact O-N 3.1Å; T560-K562 WeakPolarHBondContact OG1-CE 3.42Å; K562-V564 VanDerWaalsContact C-N 3.26Å; K562-V564 PolarHBondContact O-N 3.43Å; K562-N565 CarbonylContact O-C 3.55Å; K562-N565 WeakPolarHBondContact O-CA 3.4Å; K562-N565 VanDerWaalsContact O-CB 3.3Å; K562-N565 WeakPolarHBondContact O-CB 3.37Å; K562-N565 PolarHBondContact O-N 2.61Å; K562-D566 PolarHBondContact O-N 3.28Å; K562-D566 VanDerWaalsContact O-OD2 3.1Å
563	R	92.1	Very high	94.1	Very high	115 Å²	115	56.4 Å²	56.4	43%	0.434	27%	0.273	S	S	.	.	H	α-helix	trans	-57.2	-35.4	177.5	-177.9	172.1	175.3	-179.5	-2.3	113.5	D123 N561 T567	D123-R563 VanDerWaalsContact CG-NH2 3.3Å; D123-R563 IonicContact OD1-CZ 3.13Å; D123-R563 IonicContact OD1-NE 2.7Å; D123-R563 PolarHBondContact OD1-NE 3.04Å; D123-R563 IonicContact OD1-NH2 2.72Å; D123-R563 PolarHBondContact OD1-NH2 3.38Å; D123-R563 IonicContact OD2-NH2 3.32Å; D123-R563 PolarHBondContact OD2-NH2 3.12Å; N561-R563 VanDerWaalsContact C-N 3.34Å; N561-R563 PolarHBondContact O-N 3.05Å; R563-T567 WeakPolarHBondContact O-CB 3.37Å; R563-T567 PolarHBondContact O-N 2.74Å; R563-T567 VanDerWaalsContact O-N 3.15Å; R563-T567 PolarHBondContact O-OG1 3Å
564	V	93.9	Very high	94.2	Very high	1 Å²	1	52 Å²	52	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-72.2	-43	174.2	-174.2	0	0	0	0	110.2	D123 R125 I126 I541 N561 K562 T567 Y568	D123-V564 WeakPolarHBondContact O-CA 3.44Å; D123-V564 WeakPolarHBondContact O-CG2 3.45Å; R125-V564 WeakPolarHBondContact O-CG2 3.45Å; I126-V564 HydrophobicContact CD1-CB 4.39Å; I126-V564 HydrophobicContact CD1-CG1 3.86Å; I126-V564 HydrophobicContact CD1-CG2 4.26Å; I541-V564 HydrophobicContact CG2-CB 4.34Å; I541-V564 HydrophobicContact CG2-CG1 4.3Å; N561-V564 HydrophobicContact CB-CB 4.24Å; N561-V564 HydrophobicContact CB-CG2 4.19Å; N561-V564 WeakPolarHBondContact O-CA 3.21Å; N561-V564 WeakPolarHBondContact O-CB 3.1Å; N561-V564 PolarHBondContact O-N 3.33Å; K562-V564 VanDerWaalsContact C-N 3.26Å; K562-V564 PolarHBondContact O-N 3.43Å; V564-T567 PolarHBondContact O-N 3.43Å; V564-Y568 WeakPolarHBondContact O-CB 3.37Å; V564-Y568 PolarHBondContact O-N 3.06Å
565	N	94.2	Very high	94.2	Very high	59 Å²	59	53 Å²	53	32%	0.316	26%	0.258	S	S	.	.	H	α-helix	trans	-59	-48.5	176.3	-177.4	33.8	0	0	0	111.9	I541 N561 K562 T567 Y568 N569	I541-N565 HydrophobicContact CD1-CB 3.91Å; I541-N565 VanDerWaalsContact CD1-OD1 3.23Å; I541-N565 WeakPolarHBondContact CD1-OD1 3.45Å; N561-N565 PolarHBondContact O-N 3.39Å; K562-N565 CarbonylContact O-C 3.55Å; K562-N565 WeakPolarHBondContact O-CA 3.4Å; K562-N565 VanDerWaalsContact O-CB 3.3Å; K562-N565 WeakPolarHBondContact O-CB 3.37Å; K562-N565 PolarHBondContact O-N 2.61Å; N565-T567 VanDerWaalsContact C-N 3.35Å; N565-T567 PolarHBondContact O-N 3.31Å; N565-Y568 PolarHBondContact O-N 2.92Å; N565-N569 WeakPolarHBondContact O-CB 3.45Å; N565-N569 VanDerWaalsContact O-CG 3.25Å; N565-N569 PolarHBondContact O-N 3.17Å; N565-N569 PolarHBondContact O-ND2 2.89Å; N565-N569 PolarHBondContact OD1-ND2 2.87Å
566	D	93.5	Very high	94.2	Very high	90 Å²	90	56 Å²	56	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-43.4	178.1	-57.8	-32.5	0	0	0	111	K562 N570	K562-D566 PolarHBondContact O-N 3.28Å; K562-D566 VanDerWaalsContact O-OD2 3.1Å; D566-N570 WeakPolarHBondContact O-CB 3.32Å; D566-N570 PolarHBondContact O-N 3.13Å; D566-N570 PolarHBondContact O-ND2 3.11Å
567	T	93.1	Very high	94.2	Very high	25 Å²	25	57.1 Å²	57.1	15%	0.153	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-45.2	177	-53.5	0	0	0	0	111.8	D123 L124 R563 V564 N565 N569 N570 M571	D123-T567 HydrophobicContact CB-CG2 4.02Å; L124-T567 HydrophobicContact CD2-CG2 3.58Å; L124-T567 HydrophobicContact CG-CG2 3.92Å; R563-T567 WeakPolarHBondContact O-CB 3.37Å; R563-T567 PolarHBondContact O-N 2.74Å; R563-T567 VanDerWaalsContact O-N 3.15Å; R563-T567 PolarHBondContact O-OG1 3Å; V564-T567 PolarHBondContact O-N 3.43Å; N565-T567 VanDerWaalsContact C-N 3.35Å; N565-T567 PolarHBondContact O-N 3.31Å; T567-N569 PolarHBondContact O-N 2.89Å; T567-N570 PolarHBondContact O-N 3.25Å; T567-M571 HydrophobicContact CG2-CE 3.58Å; T567-M571 HydrophobicContact CG2-SD 4Å; T567-M571 WeakPolarHBondContact O-CG 3.39Å; T567-M571 PolarHBondContact O-N 3Å
568	Y	93.3	Very high	94.2	Very high	62 Å²	62	56.6 Å²	56.6	24%	0.243	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-46.6	179.4	-178	-82.4	0	0	0	111.5	I541 V564 N565 N570 M571 M573 F623	I541-Y568 HydrophobicContact CD1-CD1 4.11Å; I541-Y568 HydrophobicContact CD1-CG 4.2Å; I541-Y568 HydrophobicContact CG1-CG 4.38Å; V564-Y568 WeakPolarHBondContact O-CB 3.37Å; V564-Y568 PolarHBondContact O-N 3.06Å; N565-Y568 PolarHBondContact O-N 2.92Å; Y568-N570 VanDerWaalsContact C-N 3.3Å; Y568-N570 PolarHBondContact O-N 2.76Å; Y568-M571 PolarHBondContact O-N 2.88Å; Y568-M573 HydrophobicContact CD1-CG 4.18Å; Y568-M573 HydrophobicContact CD2-CE 3.58Å; Y568-M573 HydrophobicContact CD2-CG 3.67Å; Y568-M573 HydrophobicContact CD2-SD 3.84Å; Y568-M573 HydrophobicContact CE1-CB 4.16Å; Y568-M573 HydrophobicContact CE1-CG 4.06Å; Y568-M573 HydrophobicContact CE2-CB 4.03Å; Y568-M573 HydrophobicContact CE2-CE 4.08Å; Y568-M573 HydrophobicContact CE2-CG 3.53Å; Y568-M573 HydrophobicContact CE2-SD 3.69Å; Y568-M573 HydrophobicContact CG-CE 4.24Å; Y568-M573 HydrophobicContact CG-CG 3.97Å; Y568-F623 AromaticContact CD2-CE2 3.74Å; Y568-F623 HydrophobicContact CD2-CE2 3.74Å; Y568-F623 AromaticContact CD2-CZ 3.79Å; Y568-F623 HydrophobicContact CD2-CZ 3.79Å; Y568-F623 AromaticContact CE2-CE2 3.49Å; Y568-F623 HydrophobicContact CE2-CE2 3.49Å; Y568-F623 VanDerWaalsContact CE2-CE2 3.49Å; Y568-F623 AromaticContact CE2-CZ 3.91Å; Y568-F623 HydrophobicContact CE2-CZ 3.91Å
569	N	92.3	Very high	94.2	Very high	76 Å²	76	58 Å²	58	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-69	-27	-178.4	-69.8	-38.2	0	0	0	113.4	K111 N565 T567 M571	K111-N569 VanDerWaalsContact CE-O 3.27Å; K111-N569 WeakPolarHBondContact CE-O 3.43Å; K111-N569 PolarHBondContact NZ-O 3.29Å; N565-N569 WeakPolarHBondContact O-CB 3.45Å; N565-N569 VanDerWaalsContact O-CG 3.25Å; N565-N569 PolarHBondContact O-N 3.17Å; N565-N569 PolarHBondContact O-ND2 2.89Å; N565-N569 PolarHBondContact OD1-ND2 2.87Å; T567-N569 PolarHBondContact O-N 2.89Å; N569-M571 VanDerWaalsContact C-N 3.32Å
570	N	92.6	Very high	94	Very high	112 Å²	112	61.3 Å²	61.3	60%	0.599	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	0.4	176.6	-72.2	-40.6	0	0	0	113.7	K111 K112 D566 T567 Y568	K111-N570 WeakPolarHBondContact CA-O 3.43Å; K111-N570 WeakPolarHBondContact CB-O 3.49Å; K112-N570 PolarHBondContact N-O 3.21Å; D566-N570 WeakPolarHBondContact O-CB 3.32Å; D566-N570 PolarHBondContact O-N 3.13Å; D566-N570 PolarHBondContact O-ND2 3.11Å; T567-N570 PolarHBondContact O-N 3.25Å; Y568-N570 VanDerWaalsContact C-N 3.3Å; Y568-N570 PolarHBondContact O-N 2.76Å
571	M	94.1	Very high	94	Very high	16 Å²	16	59.3 Å²	59.3	8%	0.079	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-110.3	156.3	178.2	-73.7	178.4	175.8	0	0	113	K112 V114 D118 L124 T567 Y568 N569 M573	K112-M571 HydrophobicContact CB-CG 4.48Å; K112-M571 HydrophobicContact CD-CE 4.33Å; K112-M571 CarbonylContact O-C 3.6Å; K112-M571 WeakPolarHBondContact O-CA 3.45Å; V114-M571 HydrophobicContact CG2-CB 4.09Å; V114-M571 HydrophobicContact CG2-SD 4.03Å; D118-M571 HydrophobicContact CB-CE 4.02Å; L124-M571 HydrophobicContact CD1-CE 4.3Å; L124-M571 HydrophobicContact CD1-SD 3.84Å; L124-M571 HydrophobicContact CD2-SD 4.2Å; L124-M571 HydrophobicContact CG-SD 4.37Å; T567-M571 HydrophobicContact CG2-CE 3.58Å; T567-M571 HydrophobicContact CG2-SD 4Å; T567-M571 WeakPolarHBondContact O-CG 3.39Å; T567-M571 PolarHBondContact O-N 3Å; Y568-M571 PolarHBondContact O-N 2.88Å; N569-M571 VanDerWaalsContact C-N 3.32Å; M571-M573 HydrophobicContact CB-CE 4.28Å; M571-M573 HydrophobicContact CB-CG 4.31Å; M571-M573 PolarHBondContact O-N 2.84Å; M571-M573 HydrophobicContact SD-CE 4.15Å
572	Q	94.1	Very high	93.8	Very high	33 Å²	33	64 Å²	64	15%	0.154	32%	0.323	C	S	.	.			trans	-77.3	68.1	173.2	-63.8	-172.8	17	0	0	110.7	L108 K111 K112 K113 A596 S633	L108-Q572 HydrophobicContact CD2-CG 4.49Å; L108-Q572 PolarHBondContact O-NE2 3.4Å; K111-Q572 HydrophobicContact CB-CG 3.81Å; K111-Q572 PolarHBondContact O-NE2 3.47Å; K112-Q572 PolarHBondContact O-N 3.26Å; K113-Q572 HydrophobicContact CG-CB 4.4Å; K113-Q572 HydrophobicContact CG-CG 4.37Å; Q572-A596 HydrophobicContact CB-CB 3.93Å; Q572-S633 WeakPolarHBondContact O-CB 3.26Å; Q572-S633 PolarHBondContact O-OG 3.3Å
573	M	94.6	Very high	93.7	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.084	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-69.6	144.2	-178.5	-74.9	-68.7	-179.6	0	0	112.6	V114 L124 Y568 M571 A596 V625 T629	V114-M573 HydrophobicContact CG2-CE 3.89Å; V114-M573 HydrophobicContact CG2-SD 3.86Å; L124-M573 HydrophobicContact CD1-CE 4.22Å; L124-M573 HydrophobicContact CD2-CE 3.93Å; Y568-M573 HydrophobicContact CD1-CG 4.18Å; Y568-M573 HydrophobicContact CD2-CE 3.58Å; Y568-M573 HydrophobicContact CD2-CG 3.67Å; Y568-M573 HydrophobicContact CD2-SD 3.84Å; Y568-M573 HydrophobicContact CE1-CB 4.16Å; Y568-M573 HydrophobicContact CE1-CG 4.06Å; Y568-M573 HydrophobicContact CE2-CB 4.03Å; Y568-M573 HydrophobicContact CE2-CE 4.08Å; Y568-M573 HydrophobicContact CE2-CG 3.53Å; Y568-M573 HydrophobicContact CE2-SD 3.69Å; Y568-M573 HydrophobicContact CG-CE 4.24Å; Y568-M573 HydrophobicContact CG-CG 3.97Å; M571-M573 HydrophobicContact CB-CE 4.28Å; M571-M573 HydrophobicContact CB-CG 4.31Å; M571-M573 PolarHBondContact O-N 2.84Å; M571-M573 HydrophobicContact SD-CE 4.15Å; M573-A596 WeakPolarHBondContact O-CB 3.38Å; M573-V625 HydrophobicContact CE-CG2 4.1Å; M573-V625 HydrophobicContact SD-CG2 4.37Å; M573-T629 HydrophobicContact SD-CG2 3.83Å
574	P	95.5	Very high	93.5	Very high	15 Å²	15	56.3 Å²	56.3	10%	0.097	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-59.3	142.3	177.2	-27.8	37.6	0	0	0	114	L593 K594 T629 V632	P574-L593 HydrophobicContact CB-CB 4.39Å; P574-L593 HydrophobicContact CB-CD2 4.44Å; P574-K594 CarbonylContact C-O 3.57Å; P574-K594 WeakPolarHBondContact CA-O 3.39Å; P574-T629 VanDerWaalsContact CD-CG2 3.48Å; P574-T629 HydrophobicContact CG-CG2 3.74Å; P574-V632 HydrophobicContact CB-CB 4.22Å; P574-V632 HydrophobicContact CB-CG1 3.69Å; P574-V632 HydrophobicContact CG-CB 3.81Å; P574-V632 HydrophobicContact CG-CG1 3.77Å
575	K	94.5	Very high	93.1	Very high	118 Å²	118	63 Å²	63	51%	0.513	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.2	169.1	-71.4	169.8	174	165.8	0	109	K594 A596	K575-K594 HydrophobicContact CB-CB 4.49Å; K575-K594 PolarHBondContact N-O 3.06Å; K575-K594 PolarHBondContact O-N 3.42Å; K575-A596 VanDerWaalsContact CE-O 3.29Å; K575-A596 WeakPolarHBondContact CE-O 3.35Å; K575-A596 PolarHBondContact NZ-O 2.92Å
576	V	95.1	Very high	92.8	Very high	88 Å²	88	61.7 Å²	61.7	53%	0.533	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.8	177.4	-174.1	0	0	0	0	109.7	Q591 I592 L593	V576-Q591 HydrophobicContact CG1-CG 3.77Å; V576-I592 WeakPolarHBondContact CA-O 3.22Å; V576-L593 HydrophobicContact CG2-CG 4.48Å
577	E	95.3	Very high	92.6	Very high	68 Å²	68	61.2 Å²	61.2	32%	0.318	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.6	175.3	-177.6	-175.3	144.1	0	0	108.9	K579 I592 K594	E577-K579 WeakPolarHBondContact OE1-CE 3.44Å; E577-K579 IonicContact OE1-NZ 3.89Å; E577-I592 HydrophobicContact CB-CB 4.42Å; E577-I592 PolarHBondContact N-O 3.17Å; E577-I592 PolarHBondContact O-N 3.25Å; E577-K594 IonicContact OE1-NZ 3.76Å; E577-K594 WeakPolarHBondContact OE2-CE 3.26Å; E577-K594 IonicContact OE2-NZ 2.67Å; E577-K594 PolarHBondContact OE2-NZ 3.21Å
578	N	94.9	Very high	92.6	Very high	60 Å²	60	60 Å²	60	32%	0.321	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.8	176.5	-66.2	-48.4	0	0	0	109.4	T589 M590	N578-T589 HydrophobicContact CB-CG2 3.94Å; N578-M590 WeakPolarHBondContact CA-O 3.37Å
579	K	94.6	Very high	92.5	Very high	44 Å²	44	58.1 Å²	58.1	19%	0.191	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.1	171.4	-69.5	-165	-175.8	-164.7	0	110.2	E577 M590 I592 F676 E680	E577-K579 WeakPolarHBondContact OE1-CE 3.44Å; E577-K579 IonicContact OE1-NZ 3.89Å; K579-M590 HydrophobicContact CB-CE 4.33Å; K579-M590 PolarHBondContact N-O 3.46Å; K579-M590 PolarHBondContact O-N 2.9Å; K579-I592 HydrophobicContact CB-CD1 4.35Å; K579-I592 HydrophobicContact CD-CD1 3.87Å; K579-I592 HydrophobicContact CG-CD1 3.81Å; K579-F676 HydrophobicContact CB-CE1 4.49Å; K579-F676 HydrophobicContact CD-CE1 4.06Å; K579-E680 IonicContact NZ-OE1 2.66Å; K579-E680 PolarHBondContact NZ-OE1 3.4Å; K579-E680 IonicContact NZ-OE2 2.99Å; K579-E680 PolarHBondContact NZ-OE2 3.09Å
580	T	93.4	Very high	92.7	Very high	92 Å²	92	54.5 Å²	54.5	56%	0.564	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.5	175.4	51.7	0	0	0	0	111.3	T587 L588	T580-T587 HydrophobicContact CG2-CG2 4.12Å; T580-L588 CarbonylContact C-O 3.57Å; T580-L588 WeakPolarHBondContact CA-O 3.23Å
581	I	93.5	Very high	92.9	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.8	175.1	-53.5	178.9	0	0	0	107.6	I583 L588 M590 F642 A673 F676	I581-I583 HydrophobicContact CG2-CD1 4.4Å; I581-I583 HydrophobicContact CG2-CG1 3.97Å; I581-L588 PolarHBondContact N-O 3.3Å; I581-L588 PolarHBondContact O-N 2.82Å; I581-M590 HydrophobicContact CD1-CB 4.29Å; I581-M590 HydrophobicContact CD1-CE 4.1Å; I581-M590 HydrophobicContact CD1-SD 4.16Å; I581-F642 HydrophobicContact CB-CE2 4.36Å; I581-F642 HydrophobicContact CD1-CE2 4.2Å; I581-A673 HydrophobicContact CD1-CB 4.01Å; I581-F676 HydrophobicContact CD1-CB 3.9Å; I581-F676 HydrophobicContact CD1-CD1 3.73Å; I581-F676 HydrophobicContact CD1-CE1 4.45Å; I581-F676 HydrophobicContact CD1-CG 3.86Å; I581-F676 HydrophobicContact CG1-CD1 3.92Å; I581-F676 HydrophobicContact CG1-CE1 4.2Å; I581-F676 HydrophobicContact CG1-CG 4.09Å
582	T	92.8	Very high	93	Very high	99 Å²	99	49 Å²	49	61%	0.607	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.5	173	-55.8	0	0	0	0	109.4	Y586	T582-Y586 CarbonylContact C-O 3.56Å; T582-Y586 VanDerWaalsContact CA-O 3.29Å; T582-Y586 WeakPolarHBondContact CA-O 3.38Å
583	I	90.4	Very high	93.2	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.8	175.2	-55.7	-174.9	0	0	0	108	I581 D585 Y586 L588 F642 D669 E672	I581-I583 HydrophobicContact CG2-CD1 4.4Å; I581-I583 HydrophobicContact CG2-CG1 3.97Å; I583-D585 PolarHBondContact O-N 2.58Å; I583-Y586 PolarHBondContact N-O 2.7Å; I583-Y586 PolarHBondContact O-N 2.76Å; I583-L588 HydrophobicContact CB-CD1 4.25Å; I583-L588 HydrophobicContact CD1-CD1 4.29Å; I583-L588 HydrophobicContact CG1-CD1 4.42Å; I583-F642 HydrophobicContact CD1-CE1 3.93Å; I583-F642 HydrophobicContact CD1-CZ 3.69Å; I583-D669 HydrophobicContact CD1-CB 4.13Å; I583-E672 HydrophobicContact CD1-CB 4.13Å; I583-E672 HydrophobicContact CD1-CG 4.5Å
584	D	87.6	Confident	93.3	Very high	87 Å²	87	47.8 Å²	47.8	47%	0.465	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	-123.8	-167.3	-49.9	-38.3	0	0	0	110.3	H645 R668	D584-H645 IonicContact OD2-CE1 3.45Å; D584-H645 PolarHBondContact OD2-CE1 3.09Å; D584-H645 VanDerWaalsContact OD2-CE1 3.23Å; D584-H645 IonicContact OD2-NE2 3.7Å; D584-R668 IonicContact OD1-CZ 3.54Å; D584-R668 IonicContact OD1-NH1 2.72Å; D584-R668 PolarHBondContact OD1-NH1 2.9Å; D584-R668 IonicContact OD1-NH2 3.57Å; D584-R668 IonicContact OD2-CZ 2.79Å; D584-R668 IonicContact OD2-NH1 2.66Å; D584-R668 PolarHBondContact OD2-NH1 3.47Å; D584-R668 VanDerWaalsContact OD2-NH1 3.08Å; D584-R668 IonicContact OD2-NH2 3.7Å; D584-R668 PolarHBondContact OD2-NH2 2.62Å
585	D	85.8	Confident	93.4	Very high	142 Å²	142	47.3 Å²	47.3	76%	0.759	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	6	178.1	-56.2	-57.9	0	0	0	114.1	I583	I583-D585 PolarHBondContact O-N 2.58Å
586	Y	87.9	Confident	93.3	Very high	31 Å²	31	42 Å²	42	12%	0.122	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133	-172.6	-63.5	-78.7	0	0	0	112.7	T582 I583 H645 N653 L654	T582-Y586 CarbonylContact C-O 3.56Å; T582-Y586 VanDerWaalsContact CA-O 3.29Å; T582-Y586 WeakPolarHBondContact CA-O 3.38Å; I583-Y586 PolarHBondContact N-O 2.7Å; I583-Y586 PolarHBondContact O-N 2.76Å; Y586-H645 AromaticContact CD2-NE2 3.52Å; Y586-H645 AromaticContact CE2-NE2 3.38Å; Y586-H645 WeakPolarHBondContact CE2-NE2 3.48Å; Y586-N653 VanDerWaalsContact OH-C 3.25Å; Y586-N653 WeakPolarHBondContact OH-CB 3.4Å; Y586-N653 PolarHBondContact OH-ND2 2.86Å; Y586-N653 PolarHBondContact OH-OD1 3.41Å; Y586-L654 HydrophobicContact CD1-CB 4.45Å; Y586-L654 HydrophobicContact CD1-CD1 3.94Å; Y586-L654 HydrophobicContact CD2-CD1 3.86Å; Y586-L654 HydrophobicContact CE1-CB 3.92Å; Y586-L654 HydrophobicContact CE1-CD1 4.06Å; Y586-L654 HydrophobicContact CE2-CD1 3.96Å; Y586-L654 HydrophobicContact CG-CD1 3.84Å; Y586-L654 PolarHBondContact OH-N 2.87Å
587	T	90.3	Very high	93.1	Very high	79 Å²	79	40 Å²	40	49%	0.485	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.2	165.1	-51.3	0	0	0	0	108.7	T580	T580-T587 HydrophobicContact CG2-CG2 4.12Å
588	L	92.2	Very high	93.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.4	-174.7	-59.8	172.4	0	0	0	109.6	T580 I581 I583 F642 L654	T580-L588 CarbonylContact C-O 3.57Å; T580-L588 WeakPolarHBondContact CA-O 3.23Å; I581-L588 PolarHBondContact N-O 3.3Å; I581-L588 PolarHBondContact O-N 2.82Å; I583-L588 HydrophobicContact CB-CD1 4.25Å; I583-L588 HydrophobicContact CD1-CD1 4.29Å; I583-L588 HydrophobicContact CG1-CD1 4.42Å; L588-F642 HydrophobicContact CB-CE2 3.61Å; L588-F642 HydrophobicContact CB-CZ 3.75Å; L588-F642 HydrophobicContact CD1-CE1 4.44Å; L588-F642 HydrophobicContact CD1-CE2 4.47Å; L588-F642 HydrophobicContact CD1-CZ 3.75Å; L588-F642 HydrophobicContact CG-CZ 4.42Å; L588-L654 HydrophobicContact CD2-CD1 4.19Å; L588-L654 HydrophobicContact CD2-CD2 3.95Å
589	T	92.4	Very high	93	Very high	22 Å²	22	39.7 Å²	39.7	14%	0.135	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.1	-178.2	-56	0	0	0	0	110.6	N578 V619 F642	N578-T589 HydrophobicContact CB-CG2 3.94Å; T589-V619 HydrophobicContact CG2-CG1 3.75Å; T589-F642 WeakPolarHBondContact O-CD2 3.35Å
590	M	95.3	Very high	92.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.6	169.3	-177.1	175	59.4	0	0	109	N578 K579 I581 I592 I640 R641 F642 A673 F676 I677	N578-M590 WeakPolarHBondContact CA-O 3.37Å; K579-M590 HydrophobicContact CB-CE 4.33Å; K579-M590 PolarHBondContact N-O 3.46Å; K579-M590 PolarHBondContact O-N 2.9Å; I581-M590 HydrophobicContact CD1-CB 4.29Å; I581-M590 HydrophobicContact CD1-CE 4.1Å; I581-M590 HydrophobicContact CD1-SD 4.16Å; M590-I592 HydrophobicContact CE-CD1 4.01Å; M590-I592 HydrophobicContact CE-CG1 4.1Å; M590-I592 HydrophobicContact CG-CG1 4.39Å; M590-I640 HydrophobicContact CG-CB 4.43Å; M590-I640 HydrophobicContact SD-CB 4.41Å; M590-I640 HydrophobicContact SD-CD1 4.09Å; M590-I640 HydrophobicContact SD-CG2 4.34Å; M590-R641 CarbonylContact C-O 3.52Å; M590-R641 WeakPolarHBondContact CA-O 3.43Å; M590-F642 HydrophobicContact CB-CD2 3.8Å; M590-F642 HydrophobicContact CG-CB 4.39Å; M590-F642 HydrophobicContact CG-CD2 4.41Å; M590-A673 HydrophobicContact SD-CB 4.31Å; M590-F676 HydrophobicContact CE-CD1 3.94Å; M590-F676 HydrophobicContact CE-CE1 4.31Å; M590-I677 HydrophobicContact CE-CB 4.19Å; M590-I677 HydrophobicContact CE-CD1 3.83Å; M590-I677 HydrophobicContact CE-CG1 4.46Å; M590-I677 HydrophobicContact SD-CB 4.42Å
591	Q	96.5	Very high	92.8	Very high	13 Å²	13	42.7 Å²	42.7	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.2	171.7	-179.4	178.8	87.9	0	0	109.2	V576 L593 V619 T620 I640 R641	V576-Q591 HydrophobicContact CG1-CG 3.77Å; Q591-L593 HydrophobicContact CG-CD1 3.99Å; Q591-V619 HydrophobicContact CB-CG1 4.14Å; Q591-V619 HydrophobicContact CB-CG2 4.1Å; Q591-T620 PolarHBondContact NE2-O 2.92Å; Q591-T620 VanDerWaalsContact NE2-O 3.1Å; Q591-I640 CarbonylContact O-C 3.6Å; Q591-I640 VanDerWaalsContact O-CA 3.28Å; Q591-I640 WeakPolarHBondContact O-CA 3.14Å; Q591-R641 HydrophobicContact CB-CB 4.42Å; Q591-R641 PolarHBondContact N-O 3.42Å; Q591-R641 PolarHBondContact O-N 3.48Å; Q591-R641 VanDerWaalsContact OE1-NH1 3.11Å
592	I	97.5	Very high	92.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127	179.2	-46.7	169.3	0	0	0	108.1	V576 E577 K579 M590 K594 I638 I640 I677	V576-I592 WeakPolarHBondContact CA-O 3.22Å; E577-I592 HydrophobicContact CB-CB 4.42Å; E577-I592 PolarHBondContact N-O 3.17Å; E577-I592 PolarHBondContact O-N 3.25Å; K579-I592 HydrophobicContact CB-CD1 4.35Å; K579-I592 HydrophobicContact CD-CD1 3.87Å; K579-I592 HydrophobicContact CG-CD1 3.81Å; M590-I592 HydrophobicContact CE-CD1 4.01Å; M590-I592 HydrophobicContact CE-CG1 4.1Å; M590-I592 HydrophobicContact CG-CG1 4.39Å; I592-K594 HydrophobicContact CG2-CG 4.07Å; I592-I638 HydrophobicContact CG2-CG2 3.69Å; I592-I640 HydrophobicContact CB-CG2 4.28Å; I592-I640 HydrophobicContact CG1-CG2 4.08Å; I592-I640 HydrophobicContact CG2-CG2 4.03Å; I592-I677 HydrophobicContact CD1-CD1 3.75Å; I592-I677 HydrophobicContact CG1-CD1 4.34Å
593	L	97.7	Very high	93	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.3	173.3	-68.5	83.1	0	0	0	108.3	P574 V576 Q591 V632 I638 V639 R641	P574-L593 HydrophobicContact CB-CB 4.39Å; P574-L593 HydrophobicContact CB-CD2 4.44Å; V576-L593 HydrophobicContact CG2-CG 4.48Å; Q591-L593 HydrophobicContact CG-CD1 3.99Å; L593-V632 HydrophobicContact CB-CG1 4.45Å; L593-V632 HydrophobicContact CB-CG2 3.9Å; L593-I638 WeakPolarHBondContact O-CA 3.39Å; L593-V639 HydrophobicContact CB-CB 4.25Å; L593-V639 HydrophobicContact CD1-CG1 4.36Å; L593-V639 PolarHBondContact N-O 3.14Å; L593-V639 PolarHBondContact O-N 3.23Å; L593-R641 VanDerWaalsContact CD1-NH1 3.34Å
594	K	97.1	Very high	93.3	Very high	14 Å²	14	45 Å²	45	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	147.9	-179.4	-69.5	179.4	172	176.5	0	110.9	P574 K575 E577 I592 F598 V632 I638 Y682	P574-K594 CarbonylContact C-O 3.57Å; P574-K594 WeakPolarHBondContact CA-O 3.39Å; K575-K594 HydrophobicContact CB-CB 4.49Å; K575-K594 PolarHBondContact N-O 3.06Å; K575-K594 PolarHBondContact O-N 3.42Å; E577-K594 IonicContact OE1-NZ 3.76Å; E577-K594 WeakPolarHBondContact OE2-CE 3.26Å; E577-K594 IonicContact OE2-NZ 2.67Å; E577-K594 PolarHBondContact OE2-NZ 3.21Å; I592-K594 HydrophobicContact CG2-CG 4.07Å; K594-F598 HydrophobicContact CB-CB 4.17Å; K594-F598 HydrophobicContact CB-CD2 4.16Å; K594-F598 HydrophobicContact CB-CG 4.19Å; K594-F598 HydrophobicContact CD-CD1 4.14Å; K594-F598 HydrophobicContact CD-CD2 3.95Å; K594-F598 HydrophobicContact CD-CE1 4.17Å; K594-F598 HydrophobicContact CD-CE2 3.98Å; K594-F598 HydrophobicContact CD-CG 4.04Å; K594-F598 HydrophobicContact CD-CZ 4.1Å; K594-F598 HydrophobicContact CG-CD2 4.15Å; K594-F598 HydrophobicContact CG-CE2 4.44Å; K594-F598 HydrophobicContact CG-CG 4.46Å; K594-V632 WeakPolarHBondContact O-CG1 3.41Å; K594-I638 HydrophobicContact CG-CD1 4.33Å; K594-I638 HydrophobicContact CG-CG1 4.5Å; K594-Y682 PolarHBondContact NZ-OH 3.06Å
595	P	96.2	Very high	93.8	Very high	6 Å²	6	42 Å²	42	4%	0.039	25%	0.249	C	C	.	.			trans	-56.2	152.1	173.3	-25.4	35.2	0	0	0	112.3	G597 F598 Y604 V632	P595-G597 VanDerWaalsContact C-N 3.34Å; P595-G597 PolarHBondContact O-N 3.32Å; P595-F598 VanDerWaalsContact O-CB 3.22Å; P595-F598 WeakPolarHBondContact O-CB 2.96Å; P595-F598 PolarHBondContact O-N 3.03Å; P595-F598 VanDerWaalsContact O-N 3.08Å; P595-Y604 HydrophobicContact CG-CD1 4.37Å; P595-Y604 HydrophobicContact CG-CE1 4.18Å; P595-V632 HydrophobicContact CG-CG1 4.23Å
596	A	93.7	Very high	94.4	Very high	7 Å²	7	35.5 Å²	35.5	6%	0.058	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-46.3	-179.8	0	0	0	0	0	111.9	L108 Q572 M573 K575 F598	L108-A596 HydrophobicContact CD2-CB 3.75Å; Q572-A596 HydrophobicContact CB-CB 3.93Å; M573-A596 WeakPolarHBondContact O-CB 3.38Å; K575-A596 VanDerWaalsContact CE-O 3.29Å; K575-A596 WeakPolarHBondContact CE-O 3.35Å; K575-A596 PolarHBondContact NZ-O 2.92Å; A596-F598 VanDerWaalsContact C-N 3.3Å; A596-F598 PolarHBondContact O-N 3.17Å
597	G	90.7	Very high	94.9	Very high	46 Å²	46	35.2 Å²	35.2	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	41.3	171.6	0	0	0	0	0	114.1	P595 T599	P595-G597 VanDerWaalsContact C-N 3.34Å; P595-G597 PolarHBondContact O-N 3.32Å; G597-T599 PolarHBondContact O-N 3.38Å
598	F	94.9	Very high	95.2	Very high	51 Å²	51	31.4 Å²	31.4	22%	0.224	19%	0.191	C	C	.	.			trans	-61.7	131.4	176.1	169.6	-93.3	0	0	0	112.2	K594 P595 A596 Y604 I638 Y682	K594-F598 HydrophobicContact CB-CB 4.17Å; K594-F598 HydrophobicContact CB-CD2 4.16Å; K594-F598 HydrophobicContact CB-CG 4.19Å; K594-F598 HydrophobicContact CD-CD1 4.14Å; K594-F598 HydrophobicContact CD-CD2 3.95Å; K594-F598 HydrophobicContact CD-CE1 4.17Å; K594-F598 HydrophobicContact CD-CE2 3.98Å; K594-F598 HydrophobicContact CD-CG 4.04Å; K594-F598 HydrophobicContact CD-CZ 4.1Å; K594-F598 HydrophobicContact CG-CD2 4.15Å; K594-F598 HydrophobicContact CG-CE2 4.44Å; K594-F598 HydrophobicContact CG-CG 4.46Å; P595-F598 VanDerWaalsContact O-CB 3.22Å; P595-F598 WeakPolarHBondContact O-CB 2.96Å; P595-F598 PolarHBondContact O-N 3.03Å; P595-F598 VanDerWaalsContact O-N 3.08Å; A596-F598 VanDerWaalsContact C-N 3.3Å; A596-F598 PolarHBondContact O-N 3.17Å; F598-Y604 WeakPolarHBondContact CA-OH 3.48Å; F598-Y604 HydrophobicContact CD2-CD2 4.04Å; F598-Y604 AromaticContact CD2-CE2 3.4Å; F598-Y604 HydrophobicContact CD2-CE2 3.4Å; F598-Y604 AromaticContact CD2-CZ 3.97Å; F598-Y604 AromaticContact CE2-CD2 3.94Å; F598-Y604 HydrophobicContact CE2-CD2 3.94Å; F598-Y604 AromaticContact CE2-CE2 3.55Å; F598-Y604 HydrophobicContact CE2-CE2 3.55Å; F598-Y604 HydrophobicContact CG-CE2 4.44Å; F598-I638 HydrophobicContact CD2-CD1 4.32Å; F598-I638 HydrophobicContact CE2-CD1 4.02Å; F598-Y682 HydrophobicContact CE2-CD1 4.18Å; F598-Y682 AromaticContact CE2-CD2 3.66Å; F598-Y682 HydrophobicContact CE2-CD2 3.66Å; F598-Y682 HydrophobicContact CE2-CE2 4.09Å; F598-Y682 AromaticContact CE2-CG 3.71Å; F598-Y682 HydrophobicContact CE2-CG 3.71Å; F598-Y682 AromaticContact CZ-CD1 3.66Å; F598-Y682 HydrophobicContact CZ-CD1 3.66Å; F598-Y682 AromaticContact CZ-CD2 3.97Å; F598-Y682 HydrophobicContact CZ-CD2 3.97Å; F598-Y682 AromaticContact CZ-CE1 3.94Å; F598-Y682 HydrophobicContact CZ-CE1 3.94Å; F598-Y682 HydrophobicContact CZ-CE2 4.23Å; F598-Y682 AromaticContact CZ-CG 3.67Å; F598-Y682 HydrophobicContact CZ-CG 3.67Å
599	T	93.7	Very high	95.5	Very high	70 Å²	70	32 Å²	32	43%	0.429	19%	0.194	S	C	.	.			trans	-126	140.2	173.6	60.8	0	0	0	0	110.3	G597 T601 A602 Y604	G597-T599 PolarHBondContact O-N 3.38Å; T599-T601 PolarHBondContact O-N 3.33Å; T599-A602 PolarHBondContact O-N 2.8Å; T599-A602 WeakPolarHBondContact OG1-CB 3.33Å; T599-Y604 PolarHBondContact N-OH 2.83Å; T599-Y604 WeakPolarHBondContact O-CE2 3.5Å; T599-Y604 PolarHBondContact OG1-OH 3.17Å
600	S	90.8	Very high	95.6	Very high	80 Å²	80	31.1 Å²	31.1	56%	0.559	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.1	-176	51.5	0	0	0	0	114.6
601	T	92	Very high	95.3	Very high	119 Å²	119	33.7 Å²	33.7	73%	0.73	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-19.2	-179.7	51.3	0	0	0	0	113.5	T599	T599-T601 PolarHBondContact O-N 3.33Å
602	A	93.9	Very high	94.7	Very high	32 Å²	32	34 Å²	34	26%	0.264	21%	0.209	S	C	.	.	S	Bend	trans	-82.3	150.7	178	0	0	0	0	0	111.7	T599 Y604 Y682	T599-A602 PolarHBondContact O-N 2.8Å; T599-A602 WeakPolarHBondContact OG1-CB 3.33Å; A602-Y604 HydrophobicContact CB-CE1 4.23Å; A602-Y604 HydrophobicContact CB-CE2 3.88Å; A602-Y682 VanDerWaalsContact O-CA 3.24Å; A602-Y682 WeakPolarHBondContact O-CA 3.25Å; A602-Y682 WeakPolarHBondContact O-CB 3.22Å
603	H	95.7	Very high	94.4	Very high	118 Å²	118	35.9 Å²	35.9	55%	0.546	22%	0.22	S	C	.	.			trans	-105.4	109.5	177.2	-69.3	65.3	0	0	0	110.1	D684 R687	H603-D684 HydrophobicContact CB-CB 4.29Å; H603-R687 PolarHBondContact O-NH2 2.93Å
604	Y	97.7	Very high	94.2	Very high	19 Å²	19	35.6 Å²	35.6	8%	0.075	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	144.4	-176.2	-59.5	-74.8	0	0	0	111.8	P595 F598 T599 A602 S636 I638 Y682 D684	P595-Y604 HydrophobicContact CG-CD1 4.37Å; P595-Y604 HydrophobicContact CG-CE1 4.18Å; F598-Y604 WeakPolarHBondContact CA-OH 3.48Å; F598-Y604 HydrophobicContact CD2-CD2 4.04Å; F598-Y604 AromaticContact CD2-CE2 3.4Å; F598-Y604 HydrophobicContact CD2-CE2 3.4Å; F598-Y604 AromaticContact CD2-CZ 3.97Å; F598-Y604 AromaticContact CE2-CD2 3.94Å; F598-Y604 HydrophobicContact CE2-CD2 3.94Å; F598-Y604 AromaticContact CE2-CE2 3.55Å; F598-Y604 HydrophobicContact CE2-CE2 3.55Å; F598-Y604 HydrophobicContact CG-CE2 4.44Å; T599-Y604 PolarHBondContact N-OH 2.83Å; T599-Y604 WeakPolarHBondContact O-CE2 3.5Å; T599-Y604 PolarHBondContact OG1-OH 3.17Å; A602-Y604 HydrophobicContact CB-CE1 4.23Å; A602-Y604 HydrophobicContact CB-CE2 3.88Å; Y604-S636 WeakPolarHBondContact CD1-O 3.41Å; Y604-I638 HydrophobicContact CD2-CD1 3.71Å; Y604-I638 HydrophobicContact CD2-CG1 4.36Å; Y604-I638 HydrophobicContact CG-CD1 3.96Å; Y604-I638 HydrophobicContact CG-CG1 4.15Å; Y604-Y682 WeakPolarHBondContact CD2-O 3.08Å; Y604-Y682 PolarHBondContact N-O 3.33Å; Y604-D684 WeakPolarHBondContact O-CB 3.26Å; Y604-D684 PolarHBondContact O-N 2.92Å
605	P	97.6	Very high	93.9	Very high	23 Å²	23	35.5 Å²	35.5	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	150.2	168.1	31.6	-31.4	0	0	0	109.7	T637 I638 R687	P605-T637 HydrophobicContact CG-CG2 4.21Å; P605-I638 PolarHBondContact O-N 2.92Å; P605-R687 CarbonylContact C-O 3.58Å; P605-R687 VanDerWaalsContact CA-O 3.3Å; P605-R687 WeakPolarHBondContact CA-O 3.26Å; P605-R687 HydrophobicContact CB-CB 3.7Å
606	L	98.1	Very high	93.7	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.5	179.8	-175.6	75.7	0	0	0	110.8	I638 I640 L674 I677 I683 R687 M688 G689	L606-I638 CarbonylContact C-O 3.46Å; L606-I638 WeakPolarHBondContact CA-O 3.46Å; L606-I638 HydrophobicContact CD1-CB 4.25Å; L606-I638 HydrophobicContact CD1-CG2 3.81Å; L606-I640 HydrophobicContact CD1-CD1 4.38Å; L606-I640 HydrophobicContact CD1-CG1 4.08Å; L606-I640 HydrophobicContact CD1-CG2 3.88Å; L606-I640 HydrophobicContact CD2-CD1 4.17Å; L606-I640 HydrophobicContact CG-CG1 4.47Å; L606-L674 HydrophobicContact CD2-CD2 3.81Å; L606-I677 HydrophobicContact CD1-CG1 4.5Å; L606-I677 HydrophobicContact CD2-CG2 3.62Å; L606-I683 HydrophobicContact CB-CG2 4.29Å; L606-I683 HydrophobicContact CD1-CD1 4.09Å; L606-R687 PolarHBondContact N-O 3.43Å; L606-M688 HydrophobicContact CB-CG 4.38Å; L606-M688 HydrophobicContact CD2-CE 3.45Å; L606-M688 VanDerWaalsContact CD2-CE 3.45Å; L606-M688 CarbonylContact O-C 3.53Å; L606-M688 WeakPolarHBondContact O-CA 3.44Å; L606-G689 PolarHBondContact O-N 3.23Å
607	L	98.2	Very high	93.7	Very high	25 Å²	25	37.6 Å²	37.6	13%	0.131	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.7	168.1	-179.8	64.1	0	0	0	110.4	I609 W627 L631 T637 I638 V639 I640	L607-I609 HydrophobicContact CD2-CG1 4.37Å; L607-I609 HydrophobicContact CG-CG1 4.31Å; L607-W627 HydrophobicContact CD2-CH2 3.9Å; L607-W627 HydrophobicContact CD2-CZ3 3.73Å; L607-L631 HydrophobicContact CD2-CD1 3.63Å; L607-T637 HydrophobicContact CB-CG2 3.97Å; L607-I638 PolarHBondContact N-O 3Å; L607-V639 HydrophobicContact CB-CG2 4.25Å; L607-V639 HydrophobicContact CD2-CG2 4.43Å; L607-V639 CarbonylContact O-C 3.55Å; L607-V639 WeakPolarHBondContact O-CA 3.47Å; L607-I640 PolarHBondContact O-N 2.77Å
608	L	98.1	Very high	93.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.4	167.4	171.7	64.5	0	0	0	109.5	V610 I640 Q670 L674 G689 V690 Y691 L703	L608-V610 HydrophobicContact CD1-CG1 4.13Å; L608-V610 HydrophobicContact CD2-CG1 3.88Å; L608-V610 HydrophobicContact CG-CG1 3.85Å; L608-I640 HydrophobicContact CB-CD1 4.31Å; L608-I640 HydrophobicContact CB-CG1 4.07Å; L608-I640 HydrophobicContact CD1-CD1 3.87Å; L608-I640 HydrophobicContact CD1-CG1 3.77Å; L608-Q670 HydrophobicContact CD2-CB 4.29Å; L608-L674 HydrophobicContact CB-CD2 4.16Å; L608-L674 HydrophobicContact CD2-CD1 3.81Å; L608-L674 HydrophobicContact CD2-CD2 4.2Å; L608-L674 HydrophobicContact CD2-CG 4.02Å; L608-G689 PolarHBondContact N-O 3.31Å; L608-V690 HydrophobicContact CB-CG2 4.41Å; L608-V690 HydrophobicContact CD2-CG2 4.2Å; L608-V690 HydrophobicContact CG-CG2 4.31Å; L608-V690 CarbonylContact O-C 3.59Å; L608-V690 WeakPolarHBondContact O-CA 3.42Å; L608-Y691 PolarHBondContact O-N 3.13Å; L608-L703 HydrophobicContact CD2-CD1 4.01Å
609	I	97.6	Very high	93.8	Very high	12 Å²	12	34 Å²	34	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.7	170.5	-59.4	179.8	0	0	0	107.7	L607 M618 W627 A628 V639 I640 R641 Y691	L607-I609 HydrophobicContact CD2-CG1 4.37Å; L607-I609 HydrophobicContact CG-CG1 4.31Å; I609-M618 HydrophobicContact CB-CE 4.32Å; I609-M618 HydrophobicContact CG2-CE 3.64Å; I609-M618 WeakPolarHBondContact O-CE 3.3Å; I609-W627 HydrophobicContact CD1-CH2 3.72Å; I609-W627 HydrophobicContact CD1-CZ2 3.71Å; I609-W627 HydrophobicContact CG1-CH2 4.08Å; I609-W627 HydrophobicContact CG1-CZ2 4.31Å; I609-A628 HydrophobicContact CD1-CB 3.67Å; I609-V639 HydrophobicContact CD1-CG1 3.52Å; I609-V639 HydrophobicContact CG1-CG1 3.9Å; I609-I640 PolarHBondContact N-O 2.82Å; I609-R641 HydrophobicContact CB-CG 4.29Å; I609-Y691 WeakPolarHBondContact CA-O 3.5Å; I609-Y691 HydrophobicContact CG2-CD1 4.03Å
610	V	95.8	Very high	93.9	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.3	175	-67.1	0	0	0	0	112.1	L608 Q670 V690 Y691 G692 G696 L699 A700 L703	L608-V610 HydrophobicContact CD1-CG1 4.13Å; L608-V610 HydrophobicContact CD2-CG1 3.88Å; L608-V610 HydrophobicContact CG-CG1 3.85Å; V610-Q670 HydrophobicContact CG1-CG 4.09Å; V610-V690 HydrophobicContact CG2-CG2 4.17Å; V610-Y691 WeakPolarHBondContact CG2-O 3.5Å; V610-Y691 PolarHBondContact N-O 2.99Å; V610-G692 VanDerWaalsContact O-CA 3.25Å; V610-G692 WeakPolarHBondContact O-CA 3.43Å; V610-G696 WeakPolarHBondContact CG2-O 3.27Å; V610-G696 WeakPolarHBondContact O-CA 3.48Å; V610-L699 HydrophobicContact CG2-CB 4.08Å; V610-A700 HydrophobicContact CG2-CB 3.96Å; V610-L703 HydrophobicContact CG1-CD1 4.08Å
611	D	87.5	Confident	94.1	Very high	53 Å²	53	28.7 Å²	28.7	28%	0.283	17%	0.17	S	C	.	.			trans	-113.5	-69.5	159.9	169.9	24.2	0	0	0	107.2	T613 M618 Y695 G696	D611-T613 PolarHBondContact O-N 2.94Å; D611-T613 WeakPolarHBondContact OD1-CB 3.4Å; D611-T613 PolarHBondContact OD1-N 2.86Å; D611-T613 PolarHBondContact OD1-OG1 2.75Å; D611-M618 HydrophobicContact CB-CE 4.13Å; D611-M618 HydrophobicContact CB-CG 3.83Å; D611-M618 HydrophobicContact CB-SD 3.72Å; D611-M618 PolarHBondContact N-SD 3.45Å; D611-Y695 CarbonylContact O-C 3.57Å; D611-G696 WeakPolarHBondContact O-CA 3.28Å; D611-G696 PolarHBondContact O-N 3.41Å; D611-G696 VanDerWaalsContact O-N 3.1Å
612	G	83.5	Confident	94.2	Very high	19 Å²	19	27.1 Å²	27.1	20%	0.196	16%	0.155	C	C	.	.			trans	64	7.9	175.3	0	0	0	0	0	114.9	Y695	G612-Y695 VanDerWaalsContact O-CE1 3.23Å; G612-Y695 WeakPolarHBondContact O-CE1 3.27Å
613	T	92.6	Very high	94.2	Very high	40 Å²	40	27.1 Å²	27.1	25%	0.245	15%	0.149	C	C	.	.			trans	-51.2	125.4	171.7	-63.4	0	0	0	0	109.3	D611 G615 G616 Y695 F731	D611-T613 PolarHBondContact O-N 2.94Å; D611-T613 WeakPolarHBondContact OD1-CB 3.4Å; D611-T613 PolarHBondContact OD1-N 2.86Å; D611-T613 PolarHBondContact OD1-OG1 2.75Å; T613-G615 PolarHBondContact O-N 2.67Å; T613-G616 WeakPolarHBondContact O-CA 3.3Å; T613-G616 PolarHBondContact O-N 3.19Å; T613-Y695 WeakPolarHBondContact OG1-CB 3.4Å; T613-F731 HydrophobicContact CG2-CE2 4.35Å
614	P	93.4	Very high	94	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.032	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	121.2	-173	-24.9	33.3	0	0	0	113.1	G646 V658 L662 Y735	P614-G646 CarbonylContact C-O 3.55Å; P614-G646 VanDerWaalsContact CA-O 3.29Å; P614-G646 WeakPolarHBondContact CA-O 3.27Å; P614-V658 HydrophobicContact CB-CG2 4.07Å; P614-V658 HydrophobicContact CG-CG2 4.04Å; P614-L662 HydrophobicContact CG-CD2 3.77Å; P614-Y735 HydrophobicContact CB-CD1 4.08Å; P614-Y735 HydrophobicContact CB-CE1 3.54Å; P614-Y735 HydrophobicContact CG-CD1 4.26Å; P614-Y735 HydrophobicContact CG-CE1 4.07Å; P614-Y735 PolarHBondContact O-OH 3.1Å; P614-Y735 VanDerWaalsContact O-OH 3.11Å
615	G	91.2	Very high	93.7	Very high	12 Å²	12	26.9 Å²	26.9	12%	0.124	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.5	-9.8	-171.2	0	0	0	0	0	114.7	T613 G646 L655	T613-G615 PolarHBondContact O-N 2.67Å; G615-G646 PolarHBondContact N-O 3.48Å; G615-L655 VanDerWaalsContact N-CD1 3.32Å
616	G	92	Very high	93.4	Very high	20 Å²	20	27 Å²	27	21%	0.206	15%	0.146	C	C	.	.			trans	-73.7	170.3	172.8	0	0	0	0	0	113.4	T613 S647 G648	T613-G616 WeakPolarHBondContact O-CA 3.3Å; T613-G616 PolarHBondContact O-N 3.19Å; G616-S647 WeakPolarHBondContact O-CA 3.4Å; G616-G648 PolarHBondContact O-N 2.94Å
617	Q	93.1	Very high	93.2	Very high	37 Å²	37	29 Å²	29	17%	0.173	15%	0.153	C	C	.	.			trans	-149.4	119.7	174.8	178	173.7	59.8	0	0	109.3	P493 D643 F649	P493-Q617 PolarHBondContact O-NE2 2.87Å; P493-Q617 PolarHBondContact O-OE1 3.46Å; Q617-D643 WeakPolarHBondContact CG-OD2 3.28Å; Q617-F649 HydrophobicContact CB-CD2 3.93Å; Q617-F649 HydrophobicContact CB-CE2 4.26Å
618	M	92.1	Very high	93	Very high	18 Å²	18	27.9 Å²	27.9	9%	0.089	15%	0.147	C	C	.	.			trans	-94.3	-30.4	177.9	-64.5	-165.2	80.2	0	0	113.5	I609 D611 T620 R641 D643	I609-M618 HydrophobicContact CB-CE 4.32Å; I609-M618 HydrophobicContact CG2-CE 3.64Å; I609-M618 WeakPolarHBondContact O-CE 3.3Å; D611-M618 HydrophobicContact CB-CE 4.13Å; D611-M618 HydrophobicContact CB-CG 3.83Å; D611-M618 HydrophobicContact CB-SD 3.72Å; D611-M618 PolarHBondContact N-SD 3.45Å; M618-T620 PolarHBondContact O-N 2.98Å; M618-R641 HydrophobicContact CB-CB 4.28Å; M618-R641 HydrophobicContact CE-CG 4.11Å; M618-D643 WeakPolarHBondContact CB-OD1 3.16Å; M618-D643 VanDerWaalsContact N-CG 3.32Å; M618-D643 PolarHBondContact N-OD1 3.35Å; M618-D643 PolarHBondContact N-OD2 2.85Å
619	V	95.4	Very high	92.9	Very high	4 Å²	4	28 Å²	28	2%	0.024	15%	0.148	C	C	.	.			trans	-92.6	98.4	-175.4	176.9	0	0	0	0	108.2	K494 T589 Q591 R641 D643	K494-V619 WeakPolarHBondContact CB-O 3.37Å; T589-V619 HydrophobicContact CG2-CG1 3.75Å; Q591-V619 HydrophobicContact CB-CG1 4.14Å; Q591-V619 HydrophobicContact CB-CG2 4.1Å; V619-R641 HydrophobicContact CG2-CB 4.24Å; V619-R641 WeakPolarHBondContact CG2-O 3.34Å; V619-D643 VanDerWaalsContact CB-OD2 3.31Å; V619-D643 WeakPolarHBondContact CB-OD2 3.5Å; V619-D643 PolarHBondContact N-OD2 2.84Å
620	T	95	Very high	92.8	Very high	14 Å²	14	27.9 Å²	27.9	9%	0.086	15%	0.148	C	C	.	.			trans	-141.6	151.8	-174.7	178.6	0	0	0	0	110.1	K494 Y520 Q591 M618 Q622	K494-T620 PolarHBondContact O-OG1 3.37Å; Y520-T620 VanDerWaalsContact CD2-OG1 3.24Å; Y520-T620 WeakPolarHBondContact CD2-OG1 3.29Å; Y520-T620 VanDerWaalsContact CE2-OG1 3.24Å; Y520-T620 WeakPolarHBondContact CE2-OG1 3.38Å; Q591-T620 PolarHBondContact NE2-O 2.92Å; Q591-T620 VanDerWaalsContact NE2-O 3.1Å; M618-T620 PolarHBondContact O-N 2.98Å; T620-Q622 HydrophobicContact CG2-CB 3.93Å; T620-Q622 HydrophobicContact CG2-CG 4.29Å; T620-Q622 PolarHBondContact O-N 2.67Å; T620-Q622 PolarHBondContact OG1-N 2.57Å
621	E	95	Very high	92.8	Very high	24 Å²	24	29.9 Å²	29.9	11%	0.112	16%	0.158	C	C	.	.			trans	-83.2	14	168.5	-85.5	179	-158.6	0	0	113	K494 R495 G538 P539 F623	K494-E621 HydrophobicContact CD-CG 4.38Å; K494-E621 WeakPolarHBondContact CE-OE1 3.2Å; K494-E621 HydrophobicContact CG-CG 4.03Å; K494-E621 PolarHBondContact O-N 2.86Å; R495-E621 WeakPolarHBondContact CG-OE2 3.39Å; R495-E621 IonicContact CZ-OE1 3.98Å; R495-E621 IonicContact CZ-OE2 3.78Å; R495-E621 VanDerWaalsContact NE-CD 3.27Å; R495-E621 IonicContact NE-OE1 2.69Å; R495-E621 PolarHBondContact NE-OE1 3.06Å; R495-E621 VanDerWaalsContact NE-OE1 3.11Å; R495-E621 IonicContact NE-OE2 3.16Å; R495-E621 PolarHBondContact NE-OE2 2.84Å; R495-E621 IonicContact NH2-OE1 3.35Å; R495-E621 PolarHBondContact NH2-OE1 2.81Å; R495-E621 VanDerWaalsContact NH2-OE1 3.1Å; R495-E621 IonicContact NH2-OE2 3.04Å; R495-E621 PolarHBondContact NH2-OE2 2.79Å; G538-E621 CarbonylContact C-O 3.54Å; G538-E621 WeakPolarHBondContact CA-O 3.48Å; P539-E621 WeakPolarHBondContact CA-O 3.47Å; P539-E621 HydrophobicContact CB-CB 4.33Å; P539-E621 HydrophobicContact CB-CG 4.4Å; E621-F623 PolarHBondContact O-N 2.91Å
622	Q	94.9	Very high	93.3	Very high	85 Å²	85	27.3 Å²	27.3	40%	0.397	14%	0.144	S	C	.	.			trans	-62.9	133.8	165.6	-72.3	-178.6	7.5	0	0	111.6	Y520 K537 T620	Y520-Q622 HydrophobicContact CD1-CG 3.72Å; Y520-Q622 HydrophobicContact CD2-CG 3.66Å; Y520-Q622 HydrophobicContact CE1-CG 3.92Å; Y520-Q622 HydrophobicContact CE2-CG 3.85Å; Y520-Q622 HydrophobicContact CG-CG 3.58Å; Y520-Q622 PolarHBondContact OH-NE2 2.97Å; K537-Q622 HydrophobicContact CB-CG 4.48Å; K537-Q622 WeakPolarHBondContact O-CA 3.21Å; T620-Q622 HydrophobicContact CG2-CB 3.93Å; T620-Q622 HydrophobicContact CG2-CG 4.29Å; T620-Q622 PolarHBondContact O-N 2.67Å; T620-Q622 PolarHBondContact OG1-N 2.57Å
623	F	94.4	Very high	93.8	Very high	32 Å²	32	26.6 Å²	26.6	14%	0.14	14%	0.136	C	C	.	.			trans	-64.3	132.4	171.1	177.3	-87.8	0	0	0	110.4	I126 K537 I541 P542 Y568 E621 V625	I126-F623 HydrophobicContact CD1-CD1 4.27Å; I126-F623 HydrophobicContact CD1-CE1 3.89Å; I126-F623 HydrophobicContact CG1-CD1 4.49Å; I126-F623 HydrophobicContact CG1-CE1 4.23Å; K537-F623 WeakPolarHBondContact O-CB 3.36Å; K537-F623 PolarHBondContact O-N 3.42Å; I541-F623 HydrophobicContact CG1-CD2 4.44Å; I541-F623 HydrophobicContact CG1-CE2 3.77Å; I541-F623 HydrophobicContact CG1-CZ 4.13Å; P542-F623 VanDerWaalsContact CD-CD1 3.44Å; P542-F623 VanDerWaalsContact CD-CG 3.46Å; P542-F623 HydrophobicContact CG-CB 3.92Å; P542-F623 HydrophobicContact CG-CD1 3.9Å; P542-F623 HydrophobicContact CG-CG 4.11Å; Y568-F623 AromaticContact CD2-CE2 3.74Å; Y568-F623 HydrophobicContact CD2-CE2 3.74Å; Y568-F623 AromaticContact CD2-CZ 3.79Å; Y568-F623 HydrophobicContact CD2-CZ 3.79Å; Y568-F623 AromaticContact CE2-CE2 3.49Å; Y568-F623 HydrophobicContact CE2-CE2 3.49Å; Y568-F623 VanDerWaalsContact CE2-CE2 3.49Å; Y568-F623 AromaticContact CE2-CZ 3.91Å; Y568-F623 HydrophobicContact CE2-CZ 3.91Å; E621-F623 PolarHBondContact O-N 2.91Å; F623-V625 HydrophobicContact CE1-CG2 3.94Å; F623-V625 HydrophobicContact CZ-CG2 3.72Å
624	R	91.5	Very high	94	Very high	102 Å²	102	26.3 Å²	26.3	39%	0.385	14%	0.136	S	C	.	.			trans	-150.6	128.1	178.2	176.1	169.3	51.9	174.3	-24.5	111	D626 R641	R624-D626 WeakPolarHBondContact CD-OD2 3.39Å; R624-D626 HydrophobicContact CG-CB 3.98Å; R624-D626 IonicContact CZ-OD2 3.81Å; R624-D626 IonicContact NE-OD2 3.83Å; R624-D626 IonicContact NH1-OD2 3.08Å; R624-R641 VanDerWaalsContact NH2-CZ 3.27Å
625	V	91.9	Very high	94	Very high	30 Å²	30	32.7 Å²	32.7	18%	0.182	16%	0.163	C	C	.	.			trans	-113.4	112.1	163.7	173.5	0	0	0	0	106.2	I119 L124 M573 F623 T629	I119-V625 HydrophobicContact CD1-CG1 3.87Å; I119-V625 HydrophobicContact CG1-CG1 3.94Å; L124-V625 HydrophobicContact CD1-CG1 4.22Å; M573-V625 HydrophobicContact CE-CG2 4.1Å; M573-V625 HydrophobicContact SD-CG2 4.37Å; F623-V625 HydrophobicContact CE1-CG2 3.94Å; F623-V625 HydrophobicContact CZ-CG2 3.72Å; V625-T629 HydrophobicContact CG1-CG2 4.25Å
626	D	91.3	Very high	94.3	Very high	27 Å²	27	34.1 Å²	34.1	14%	0.144	17%	0.171	C	C	.	.			trans	-136.9	-178.2	-179.8	69.7	10.8	0	0	0	110.2	I119 R624 A628 T629 R641	I119-D626 VanDerWaalsContact CD1-C 3.44Å; I119-D626 WeakPolarHBondContact CD1-O 3.44Å; R624-D626 WeakPolarHBondContact CD-OD2 3.39Å; R624-D626 HydrophobicContact CG-CB 3.98Å; R624-D626 IonicContact CZ-OD2 3.81Å; R624-D626 IonicContact NE-OD2 3.83Å; R624-D626 IonicContact NH1-OD2 3.08Å; D626-A628 PolarHBondContact O-N 3.22Å; D626-A628 VanDerWaalsContact O-N 3.09Å; D626-A628 WeakPolarHBondContact OD1-CA 3.42Å; D626-A628 WeakPolarHBondContact OD1-CB 3.32Å; D626-A628 PolarHBondContact OD1-N 3.05Å; D626-T629 PolarHBondContact N-OG1 3.19Å; D626-T629 VanDerWaalsContact N-OG1 3.11Å; D626-T629 WeakPolarHBondContact O-CA 3.26Å; D626-T629 WeakPolarHBondContact O-CB 3.12Å; D626-T629 PolarHBondContact O-N 3.39Å; D626-T629 PolarHBondContact O-OG1 2.75Å; D626-T629 PolarHBondContact OD1-N 2.86Å; D626-R641 IonicContact OD1-NH2 3.34Å; D626-R641 IonicContact OD2-NH2 2.91Å; D626-R641 PolarHBondContact OD2-NH2 2.68Å; D626-R641 VanDerWaalsContact OD2-NH2 3.17Å
627	W	92.9	Very high	94.5	Very high	47 Å²	47	34 Å²	34	18%	0.178	17%	0.167	C	C	.	.	H	α-helix	trans	-56.7	-25	178.5	63.9	-87.6	0	0	0	114.7	L607 I609 T629 V630 L631 Y691 F812	L607-W627 HydrophobicContact CD2-CH2 3.9Å; L607-W627 HydrophobicContact CD2-CZ3 3.73Å; I609-W627 HydrophobicContact CD1-CH2 3.72Å; I609-W627 HydrophobicContact CD1-CZ2 3.71Å; I609-W627 HydrophobicContact CG1-CH2 4.08Å; I609-W627 HydrophobicContact CG1-CZ2 4.31Å; W627-T629 VanDerWaalsContact C-N 3.26Å; W627-T629 PolarHBondContact O-N 3.05Å; W627-V630 WeakPolarHBondContact O-CB 3.41Å; W627-V630 PolarHBondContact O-N 3.32Å; W627-V630 VanDerWaalsContact O-N 3.16Å; W627-L631 HydrophobicContact CE3-CD1 3.69Å; W627-L631 HydrophobicContact CE3-CG 4.28Å; W627-L631 HydrophobicContact CZ3-CD1 3.48Å; W627-L631 VanDerWaalsContact CZ3-CD1 3.48Å; W627-L631 PolarHBondContact O-N 2.91Å; W627-L631 VanDerWaalsContact O-N 3.1Å; W627-Y691 AromaticContact CH2-CD1 3.73Å; W627-Y691 HydrophobicContact CH2-CD1 3.73Å; W627-Y691 AromaticContact CH2-CD2 3.92Å; W627-Y691 HydrophobicContact CH2-CD2 3.92Å; W627-Y691 HydrophobicContact CH2-CE1 4.12Å; W627-Y691 HydrophobicContact CH2-CE2 4.28Å; W627-Y691 AromaticContact CH2-CG 3.64Å; W627-Y691 HydrophobicContact CH2-CG 3.64Å; W627-Y691 AromaticContact CZ2-CD1 3.56Å; W627-Y691 HydrophobicContact CZ2-CD1 3.56Å; W627-Y691 HydrophobicContact CZ2-CD2 4.22Å; W627-Y691 AromaticContact CZ2-CE1 3.52Å; W627-Y691 HydrophobicContact CZ2-CE1 3.52Å; W627-Y691 HydrophobicContact CZ2-CE2 4.17Å; W627-Y691 AromaticContact CZ2-CG 3.93Å; W627-Y691 HydrophobicContact CZ2-CG 3.93Å; W627-Y691 AromaticContact CZ2-CZ 3.84Å; W627-F812 HydrophobicContact CB-CD1 3.79Å; W627-F812 HydrophobicContact CB-CD2 4.2Å; W627-F812 HydrophobicContact CB-CE1 3.14Å; W627-F812 HydrophobicContact CB-CE2 3.61Å; W627-F812 HydrophobicContact CB-CG 4.32Å; W627-F812 HydrophobicContact CB-CZ 3.07Å; W627-F812 AromaticContact CD1-CE2 3.51Å; W627-F812 AromaticContact CD1-CZ 3.45Å; W627-F812 VanDerWaalsContact CD1-CZ 3.45Å; W627-F812 HydrophobicContact CD2-CE1 4.38Å; W627-F812 AromaticContact CD2-CZ 3.8Å; W627-F812 HydrophobicContact CD2-CZ 3.8Å; W627-F812 HydrophobicContact CE3-CZ 4.48Å; W627-F812 AromaticContact CG-CE1 3.72Å; W627-F812 HydrophobicContact CG-CE1 3.72Å; W627-F812 AromaticContact CG-CE2 3.64Å; W627-F812 HydrophobicContact CG-CE2 3.64Å; W627-F812 AromaticContact CG-CZ 3.12Å; W627-F812 HydrophobicContact CG-CZ 3.12Å
628	A	94.2	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.4	-31.4	173.8	0	0	0	0	0	110.5	I609 D626 V630 L631 V632 V639	I609-A628 HydrophobicContact CD1-CB 3.67Å; D626-A628 PolarHBondContact O-N 3.22Å; D626-A628 VanDerWaalsContact O-N 3.09Å; D626-A628 WeakPolarHBondContact OD1-CA 3.42Å; D626-A628 WeakPolarHBondContact OD1-CB 3.32Å; D626-A628 PolarHBondContact OD1-N 3.05Å; A628-V630 VanDerWaalsContact C-N 3.31Å; A628-V630 PolarHBondContact O-N 3.33Å; A628-L631 PolarHBondContact O-N 3.18Å; A628-V632 WeakPolarHBondContact O-CG2 3.32Å; A628-V632 PolarHBondContact O-N 3.44Å; A628-V639 HydrophobicContact CB-CG1 4.18Å; A628-V639 HydrophobicContact CB-CG2 4.21Å
629	T	95.4	Very high	95	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-41.6	168.9	-47.5	0	0	0	0	111.5	V114 M573 P574 V625 D626 W627 V632 S633	V114-T629 HydrophobicContact CG1-CG2 4.45Å; V114-T629 HydrophobicContact CG2-CG2 4.33Å; M573-T629 HydrophobicContact SD-CG2 3.83Å; P574-T629 VanDerWaalsContact CD-CG2 3.48Å; P574-T629 HydrophobicContact CG-CG2 3.74Å; V625-T629 HydrophobicContact CG1-CG2 4.25Å; D626-T629 PolarHBondContact N-OG1 3.19Å; D626-T629 VanDerWaalsContact N-OG1 3.11Å; D626-T629 WeakPolarHBondContact O-CA 3.26Å; D626-T629 WeakPolarHBondContact O-CB 3.12Å; D626-T629 PolarHBondContact O-N 3.39Å; D626-T629 PolarHBondContact O-OG1 2.75Å; D626-T629 PolarHBondContact OD1-N 2.86Å; W627-T629 VanDerWaalsContact C-N 3.26Å; W627-T629 PolarHBondContact O-N 3.05Å; T629-V632 PolarHBondContact O-N 2.67Å; T629-S633 WeakPolarHBondContact O-CB 3.43Å; T629-S633 PolarHBondContact O-N 3.44Å
630	V	95.6	Very high	95.1	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.055	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-46.9	174.9	-172.2	0	0	0	0	111	V114 V116 I119 W627 A628 V632 S633 S634 F635	V114-V630 HydrophobicContact CG1-CG2 4.42Å; V116-V630 HydrophobicContact CG2-CG1 4.1Å; I119-V630 HydrophobicContact CD1-CG2 3.37Å; I119-V630 HydrophobicContact CG1-CG2 4.14Å; W627-V630 WeakPolarHBondContact O-CB 3.41Å; W627-V630 PolarHBondContact O-N 3.32Å; W627-V630 VanDerWaalsContact O-N 3.16Å; A628-V630 VanDerWaalsContact C-N 3.31Å; A628-V630 PolarHBondContact O-N 3.33Å; V630-V632 VanDerWaalsContact C-N 3.3Å; V630-V632 PolarHBondContact O-N 2.87Å; V630-S633 PolarHBondContact O-N 2.91Å; V630-S634 WeakPolarHBondContact O-CA 3.11Å; V630-S634 WeakPolarHBondContact O-CB 3.45Å; V630-S634 PolarHBondContact O-N 3.42Å; V630-F635 HydrophobicContact CG1-CE2 4.24Å
631	L	95.8	Very high	95.2	Very high	45 Å²	45	30.7 Å²	30.7	24%	0.236	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-36.8	179	-69.5	-175.3	0	0	0	112.9	L607 W627 A628 F635 S636 T637	L607-L631 HydrophobicContact CD2-CD1 3.63Å; W627-L631 HydrophobicContact CE3-CD1 3.69Å; W627-L631 HydrophobicContact CE3-CG 4.28Å; W627-L631 HydrophobicContact CZ3-CD1 3.48Å; W627-L631 VanDerWaalsContact CZ3-CD1 3.48Å; W627-L631 PolarHBondContact O-N 2.91Å; W627-L631 VanDerWaalsContact O-N 3.1Å; A628-L631 PolarHBondContact O-N 3.18Å; L631-F635 HydrophobicContact CD2-CD2 3.9Å; L631-F635 HydrophobicContact CD2-CE2 4.49Å; L631-F635 HydrophobicContact CD2-CG 4.39Å; L631-F635 CarbonylContact O-C 3.47Å; L631-F635 WeakPolarHBondContact O-CA 3.5Å; L631-F635 WeakPolarHBondContact O-CB 3.37Å; L631-F635 PolarHBondContact O-N 3.12Å; L631-S636 PolarHBondContact O-N 3.14Å; L631-T637 WeakPolarHBondContact O-CB 3.42Å; L631-T637 PolarHBondContact O-N 3.05Å
632	V	97.4	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-77.1	-38	178.7	-178.5	0	0	0	0	111.9	P574 L593 K594 P595 A628 T629 V630 T637 V639	P574-V632 HydrophobicContact CB-CB 4.22Å; P574-V632 HydrophobicContact CB-CG1 3.69Å; P574-V632 HydrophobicContact CG-CB 3.81Å; P574-V632 HydrophobicContact CG-CG1 3.77Å; L593-V632 HydrophobicContact CB-CG1 4.45Å; L593-V632 HydrophobicContact CB-CG2 3.9Å; K594-V632 WeakPolarHBondContact O-CG1 3.41Å; P595-V632 HydrophobicContact CG-CG1 4.23Å; A628-V632 WeakPolarHBondContact O-CG2 3.32Å; A628-V632 PolarHBondContact O-N 3.44Å; T629-V632 PolarHBondContact O-N 2.67Å; V630-V632 VanDerWaalsContact C-N 3.3Å; V630-V632 PolarHBondContact O-N 2.87Å; V632-T637 VanDerWaalsContact CA-O 3.28Å; V632-T637 WeakPolarHBondContact CA-O 3.5Å; V632-T637 WeakPolarHBondContact CB-O 3.29Å; V632-T637 WeakPolarHBondContact CG2-O 3.38Å; V632-V639 HydrophobicContact CG2-CB 3.89Å; V632-V639 HydrophobicContact CG2-CG2 3.56Å
633	S	95.8	Very high	95.3	Very high	4 Å²	4	26 Å²	26	3%	0.028	13%	0.128	C	C	.	.	H	α-helix	trans	-81.4	-55.6	-178.4	-171.6	0	0	0	0	113	K113 V114 Q572 T629 V630	K113-S633 PolarHBondContact NZ-O 3.39Å; V114-S633 PolarHBondContact N-OG 3.02Å; Q572-S633 WeakPolarHBondContact O-CB 3.26Å; Q572-S633 PolarHBondContact O-OG 3.3Å; T629-S633 WeakPolarHBondContact O-CB 3.43Å; T629-S633 PolarHBondContact O-N 3.44Å; V630-S633 PolarHBondContact O-N 2.91Å
634	S	94.8	Very high	95.2	Very high	34 Å²	34	24.7 Å²	24.7	24%	0.238	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-47.2	-176.6	-78.5	0	0	0	0	112.7	K113 V114 V630	K113-S634 PolarHBondContact NZ-O 3.32Å; V114-S634 PolarHBondContact O-OG 2.99Å; V630-S634 WeakPolarHBondContact O-CA 3.11Å; V630-S634 WeakPolarHBondContact O-CB 3.45Å; V630-S634 PolarHBondContact O-N 3.42Å
635	F	95.3	Very high	95.3	Very high	138 Å²	138	20.1 Å²	20.1	61%	0.605	11%	0.107	S	C	*	.	S	Bend	trans	-101.8	5.6	-171.1	-59.5	-87.1	0	0	0	114.4	V630 L631 T637	V630-F635 HydrophobicContact CG1-CE2 4.24Å; L631-F635 HydrophobicContact CD2-CD2 3.9Å; L631-F635 HydrophobicContact CD2-CE2 4.49Å; L631-F635 HydrophobicContact CD2-CG 4.39Å; L631-F635 CarbonylContact O-C 3.47Å; L631-F635 WeakPolarHBondContact O-CA 3.5Å; L631-F635 WeakPolarHBondContact O-CB 3.37Å; L631-F635 PolarHBondContact O-N 3.12Å; F635-T637 PolarHBondContact O-N 2.8Å; F635-T637 VanDerWaalsContact O-N 3.13Å
636	S	95.7	Very high	95.4	Very high	42 Å²	42	18.8 Å²	18.8	29%	0.294	10%	0.099	S	C	.	.			trans	51.8	33.4	179.6	-58	0	0	0	0	114.1	Y604 L631	Y604-S636 WeakPolarHBondContact CD1-O 3.41Å; L631-S636 PolarHBondContact O-N 3.14Å
637	T	96.9	Very high	95.6	Very high	18 Å²	18	17.9 Å²	17.9	11%	0.11	10%	0.095	C	C	.	.			trans	-84.1	136.9	177	-58.1	0	0	0	0	110.3	P605 L607 L631 V632 F635 V639	P605-T637 HydrophobicContact CG-CG2 4.21Å; L607-T637 HydrophobicContact CB-CG2 3.97Å; L631-T637 WeakPolarHBondContact O-CB 3.42Å; L631-T637 PolarHBondContact O-N 3.05Å; V632-T637 VanDerWaalsContact CA-O 3.28Å; V632-T637 WeakPolarHBondContact CA-O 3.5Å; V632-T637 WeakPolarHBondContact CB-O 3.29Å; V632-T637 WeakPolarHBondContact CG2-O 3.38Å; F635-T637 PolarHBondContact O-N 2.8Å; F635-T637 VanDerWaalsContact O-N 3.13Å; T637-V639 HydrophobicContact CG2-CG2 4.49Å
638	I	98.2	Very high	95.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127	168.1	-68.6	179.1	0	0	0	108.3	I592 L593 K594 F598 Y604 P605 L606 L607 I640 Y682 I683	I592-I638 HydrophobicContact CG2-CG2 3.69Å; L593-I638 WeakPolarHBondContact O-CA 3.39Å; K594-I638 HydrophobicContact CG-CD1 4.33Å; K594-I638 HydrophobicContact CG-CG1 4.5Å; F598-I638 HydrophobicContact CD2-CD1 4.32Å; F598-I638 HydrophobicContact CE2-CD1 4.02Å; Y604-I638 HydrophobicContact CD2-CD1 3.71Å; Y604-I638 HydrophobicContact CD2-CG1 4.36Å; Y604-I638 HydrophobicContact CG-CD1 3.96Å; Y604-I638 HydrophobicContact CG-CG1 4.15Å; P605-I638 PolarHBondContact O-N 2.92Å; L606-I638 CarbonylContact C-O 3.46Å; L606-I638 WeakPolarHBondContact CA-O 3.46Å; L606-I638 HydrophobicContact CD1-CB 4.25Å; L606-I638 HydrophobicContact CD1-CG2 3.81Å; L607-I638 PolarHBondContact N-O 3Å; I638-I640 HydrophobicContact CG2-CG2 4.47Å; I638-Y682 HydrophobicContact CD1-CD2 3.53Å; I638-Y682 HydrophobicContact CD1-CE2 3.7Å; I638-I683 HydrophobicContact CB-CD1 4.35Å; I638-I683 HydrophobicContact CD1-CD1 3.87Å; I638-I683 HydrophobicContact CG2-CD1 4.32Å
639	V	98.1	Very high	95.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.1	177.1	170.8	0	0	0	0	109.1	L593 L607 I609 A628 V632 T637	L593-V639 HydrophobicContact CB-CB 4.25Å; L593-V639 HydrophobicContact CD1-CG1 4.36Å; L593-V639 PolarHBondContact N-O 3.14Å; L593-V639 PolarHBondContact O-N 3.23Å; L607-V639 HydrophobicContact CB-CG2 4.25Å; L607-V639 HydrophobicContact CD2-CG2 4.43Å; L607-V639 CarbonylContact O-C 3.55Å; L607-V639 WeakPolarHBondContact O-CA 3.47Å; I609-V639 HydrophobicContact CD1-CG1 3.52Å; I609-V639 HydrophobicContact CG1-CG1 3.9Å; A628-V639 HydrophobicContact CB-CG1 4.18Å; A628-V639 HydrophobicContact CB-CG2 4.21Å; V632-V639 HydrophobicContact CG2-CB 3.89Å; V632-V639 HydrophobicContact CG2-CG2 3.56Å; T637-V639 HydrophobicContact CG2-CG2 4.49Å
640	I	97.6	Very high	95.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.6	172.2	59.9	164	0	0	0	112.4	M590 Q591 I592 L606 L607 L608 I609 I638 L674 I677	M590-I640 HydrophobicContact CG-CB 4.43Å; M590-I640 HydrophobicContact SD-CB 4.41Å; M590-I640 HydrophobicContact SD-CD1 4.09Å; M590-I640 HydrophobicContact SD-CG2 4.34Å; Q591-I640 CarbonylContact O-C 3.6Å; Q591-I640 VanDerWaalsContact O-CA 3.28Å; Q591-I640 WeakPolarHBondContact O-CA 3.14Å; I592-I640 HydrophobicContact CB-CG2 4.28Å; I592-I640 HydrophobicContact CG1-CG2 4.08Å; I592-I640 HydrophobicContact CG2-CG2 4.03Å; L606-I640 HydrophobicContact CD1-CD1 4.38Å; L606-I640 HydrophobicContact CD1-CG1 4.08Å; L606-I640 HydrophobicContact CD1-CG2 3.88Å; L606-I640 HydrophobicContact CD2-CD1 4.17Å; L606-I640 HydrophobicContact CG-CG1 4.47Å; L607-I640 PolarHBondContact O-N 2.77Å; L608-I640 HydrophobicContact CB-CD1 4.31Å; L608-I640 HydrophobicContact CB-CG1 4.07Å; L608-I640 HydrophobicContact CD1-CD1 3.87Å; L608-I640 HydrophobicContact CD1-CG1 3.77Å; I609-I640 PolarHBondContact N-O 2.82Å; I638-I640 HydrophobicContact CG2-CG2 4.47Å; I640-L674 HydrophobicContact CD1-CD2 4.18Å; I640-I677 HydrophobicContact CD1-CG2 4.11Å
641	R	97.1	Very high	95.3	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.015	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.6	170.5	-60.4	179.1	-177.7	111.7	-2.6	108	M590 Q591 L593 I609 M618 V619 R624 D626	M590-R641 CarbonylContact C-O 3.52Å; M590-R641 WeakPolarHBondContact CA-O 3.43Å; Q591-R641 HydrophobicContact CB-CB 4.42Å; Q591-R641 PolarHBondContact N-O 3.42Å; Q591-R641 PolarHBondContact O-N 3.48Å; Q591-R641 VanDerWaalsContact OE1-NH1 3.11Å; L593-R641 VanDerWaalsContact CD1-NH1 3.34Å; I609-R641 HydrophobicContact CB-CG 4.29Å; M618-R641 HydrophobicContact CB-CB 4.28Å; M618-R641 HydrophobicContact CE-CG 4.11Å; V619-R641 HydrophobicContact CG2-CB 4.24Å; V619-R641 WeakPolarHBondContact CG2-O 3.34Å; R624-R641 VanDerWaalsContact NH2-CZ 3.27Å; D626-R641 IonicContact OD1-NH2 3.34Å; D626-R641 IonicContact OD2-NH2 2.91Å; D626-R641 PolarHBondContact OD2-NH2 2.68Å; D626-R641 VanDerWaalsContact OD2-NH2 3.17Å
642	F	96.3	Very high	95.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	132.2	-175.9	179.6	-114.6	0	0	0	110.1	I581 I583 L588 T589 M590 D669 Q670 A673	I581-F642 HydrophobicContact CB-CE2 4.36Å; I581-F642 HydrophobicContact CD1-CE2 4.2Å; I583-F642 HydrophobicContact CD1-CE1 3.93Å; I583-F642 HydrophobicContact CD1-CZ 3.69Å; L588-F642 HydrophobicContact CB-CE2 3.61Å; L588-F642 HydrophobicContact CB-CZ 3.75Å; L588-F642 HydrophobicContact CD1-CE1 4.44Å; L588-F642 HydrophobicContact CD1-CE2 4.47Å; L588-F642 HydrophobicContact CD1-CZ 3.75Å; L588-F642 HydrophobicContact CG-CZ 4.42Å; T589-F642 WeakPolarHBondContact O-CD2 3.35Å; M590-F642 HydrophobicContact CB-CD2 3.8Å; M590-F642 HydrophobicContact CG-CB 4.39Å; M590-F642 HydrophobicContact CG-CD2 4.41Å; F642-D669 HydrophobicContact CE1-CB 4.17Å; F642-D669 WeakPolarHBondContact CE1-O 3.45Å; F642-Q670 PolarHBondContact O-NE2 3.44Å; F642-A673 HydrophobicContact CB-CB 4.23Å; F642-A673 HydrophobicContact CD1-CB 3.6Å; F642-A673 HydrophobicContact CD2-CB 4.25Å; F642-A673 HydrophobicContact CE1-CB 3.94Å; F642-A673 HydrophobicContact CG-CB 3.77Å; F642-A673 HydrophobicContact CZ-CB 4.4Å
643	D	94.1	Very high	95	Very high	9 Å²	9	20.7 Å²	20.7	5%	0.048	11%	0.111	C	C	.	.			trans	-101.5	115.6	176.5	-73.9	-40.8	0	0	0	109.6	Q617 M618 V619	Q617-D643 WeakPolarHBondContact CG-OD2 3.28Å; M618-D643 WeakPolarHBondContact CB-OD1 3.16Å; M618-D643 VanDerWaalsContact N-CG 3.32Å; M618-D643 PolarHBondContact N-OD1 3.35Å; M618-D643 PolarHBondContact N-OD2 2.85Å; V619-D643 VanDerWaalsContact CB-OD2 3.31Å; V619-D643 WeakPolarHBondContact CB-OD2 3.5Å; V619-D643 PolarHBondContact N-OD2 2.84Å
644	G	93.3	Very high	94.9	Very high	6 Å²	6	20.5 Å²	20.5	6%	0.062	11%	0.11	C	C	.	.			trans	-99.9	-162	-178.2	0	0	0	0	0	113.8	S647	G644-S647 WeakPolarHBondContact O-CB 3.16Å; G644-S647 PolarHBondContact O-N 3.42Å; G644-S647 PolarHBondContact O-OG 3.38Å
645	H	94.7	Very high	94.8	Very high	5 Å²	5	19 Å²	19	2%	0.023	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	142.3	163.9	-75	93.7	0	0	0	111.1	D584 Y586 S647 L654 K657 V658 L665 R668 D669	D584-H645 IonicContact OD2-CE1 3.45Å; D584-H645 PolarHBondContact OD2-CE1 3.09Å; D584-H645 VanDerWaalsContact OD2-CE1 3.23Å; D584-H645 IonicContact OD2-NE2 3.7Å; Y586-H645 AromaticContact CD2-NE2 3.52Å; Y586-H645 AromaticContact CE2-NE2 3.38Å; Y586-H645 WeakPolarHBondContact CE2-NE2 3.48Å; H645-S647 VanDerWaalsContact C-N 3.33Å; H645-L654 HydrophobicContact CB-CD1 4.47Å; H645-K657 HydrophobicContact CB-CB 4.31Å; H645-V658 HydrophobicContact CB-CG1 4.47Å; H645-L665 HydrophobicContact CB-CB 4.07Å; H645-L665 HydrophobicContact CB-CD1 4.37Å; H645-R668 PolarHBondContact CE1-NH2 3.01Å; H645-R668 VanDerWaalsContact CE1-NH2 3.34Å; H645-R668 PolarHBondContact ND1-NH2 2.92Å; H645-D669 WeakPolarHBondContact CB-OD2 3.38Å; H645-D669 IonicContact CE1-OD2 3.14Å; H645-D669 IonicContact CG-OD2 2.7Å; H645-D669 PolarHBondContact N-OD2 3.49Å; H645-D669 IonicContact ND1-OD1 2.67Å; H645-D669 IonicContact ND1-OD2 2.76Å; H645-D669 PolarHBondContact ND1-OD2 3.18Å
646	G	93.4	Very high	94.8	Very high	2 Å²	2	14 Å²	14	2%	0.021	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-16.7	-173.3	0	0	0	0	0	114.9	P614 G615 L654 L655	P614-G646 CarbonylContact C-O 3.55Å; P614-G646 VanDerWaalsContact CA-O 3.29Å; P614-G646 WeakPolarHBondContact CA-O 3.27Å; G615-G646 PolarHBondContact N-O 3.48Å; G646-L654 PolarHBondContact N-O 3.26Å; G646-L655 WeakPolarHBondContact O-CD1 3.26Å
647	S	94.1	Very high	94.7	Very high	8 Å²	8	15.6 Å²	15.6	6%	0.056	8%	0.079	C	C	.	.			trans	-65.6	155.6	173.9	60.9	0	0	0	0	112.9	G616 G644 H645 L654	G616-S647 WeakPolarHBondContact O-CA 3.4Å; G644-S647 WeakPolarHBondContact O-CB 3.16Å; G644-S647 PolarHBondContact O-N 3.42Å; G644-S647 PolarHBondContact O-OG 3.38Å; H645-S647 VanDerWaalsContact C-N 3.33Å; S647-L654 VanDerWaalsContact OG-CD2 3.28Å; S647-L654 WeakPolarHBondContact OG-CD2 3.15Å
648	G	92.8	Very high	94.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	7%	0.074	C	C	.	.	S	Bend	trans	-88.1	179.2	179.6	0	0	0	0	0	114.2	G616 Q650	G616-G648 PolarHBondContact O-N 2.94Å; G648-Q650 PolarHBondContact O-N 2.89Å; G648-Q650 VanDerWaalsContact O-N 3.07Å
649	F	93.2	Very high	94.4	Very high	54 Å²	54	17 Å²	17	24%	0.237	8%	0.082	C	C	.	.	S	Bend	trans	61.8	13.3	170.6	-49.9	-77.2	0	0	0	117.3	D470 T472 T489 R496 Q617	D470-F649 WeakPolarHBondContact OD2-CA 3.46Å; T472-F649 HydrophobicContact CG2-CD1 3.59Å; T472-F649 HydrophobicContact CG2-CE1 3.87Å; T489-F649 HydrophobicContact CG2-CB 4.18Å; T489-F649 PolarHBondContact OG1-O 2.87Å; R496-F649 VanDerWaalsContact NH2-CD1 3.32Å; Q617-F649 HydrophobicContact CB-CD2 3.93Å; Q617-F649 HydrophobicContact CB-CE2 4.26Å
650	Q	93.4	Very high	94.3	Very high	35 Å²	35	22.8 Å²	22.8	16%	0.164	10%	0.104	C	C	.	.	S	Bend	trans	-127.4	32.7	172.2	-61.3	-170	-107.9	0	0	111.9	F444 D470 P493 G648 L654	F444-Q650 VanDerWaalsContact CE1-C 3.48Å; D470-Q650 PolarHBondContact OD2-N 3.44Å; P493-Q650 HydrophobicContact CB-CG 3.7Å; P493-Q650 HydrophobicContact CG-CG 3.86Å; G648-Q650 PolarHBondContact O-N 2.89Å; G648-Q650 VanDerWaalsContact O-N 3.07Å; Q650-L654 HydrophobicContact CB-CD2 3.77Å; Q650-L654 HydrophobicContact CG-CD2 4.42Å
651	G	93.6	Very high	94	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.031	13%	0.132	C	C	.	.			trans	81.4	163.1	178.8	0	0	0	0	0	115	K443 F444 D470 N653	K443-G651 CarbonylContact O-C 3.53Å; K443-G651 WeakPolarHBondContact O-CA 3.35Å; F444-G651 VanDerWaalsContact CD1-CA 3.48Å; D470-G651 PolarHBondContact OD2-N 2.94Å; G651-N653 PolarHBondContact O-N 2.86Å
652	T	93.4	Very high	93.9	Very high	13 Å²	13	30.2 Å²	30.2	8%	0.08	13%	0.133	C	C	.	.	H	α-helix	trans	-71.4	-17.4	-172	71.3	0	0	0	0	113.9	A435 K443 F445 H656	A435-T652 HydrophobicContact CB-CG2 3.59Å; K443-T652 HydrophobicContact CB-CG2 4.3Å; K443-T652 PolarHBondContact O-N 2.82Å; K443-T652 PolarHBondContact O-OG1 3.09Å; F445-T652 HydrophobicContact CE2-CG2 3.76Å; F445-T652 HydrophobicContact CZ-CG2 4.05Å; T652-H656 VanDerWaalsContact O-CB 3.28Å; T652-H656 WeakPolarHBondContact O-CB 3.19Å; T652-H656 PolarHBondContact O-N 3.36Å
653	N	92.8	Very high	93.6	Very high	58 Å²	58	30.2 Å²	30.2	31%	0.31	13%	0.133	S	C	.	.	H	α-helix	trans	-72.4	-44.1	-177.6	-167.4	7.2	0	0	0	110.9	R441 Y586 G651 K657	R441-N653 WeakPolarHBondContact O-CB 3.39Å; R441-N653 PolarHBondContact O-ND2 2.9Å; Y586-N653 VanDerWaalsContact OH-C 3.25Å; Y586-N653 WeakPolarHBondContact OH-CB 3.4Å; Y586-N653 PolarHBondContact OH-ND2 2.86Å; Y586-N653 PolarHBondContact OH-OD1 3.41Å; G651-N653 PolarHBondContact O-N 2.86Å; N653-K657 WeakPolarHBondContact O-CG 3.3Å; N653-K657 WeakPolarHBondContact OD1-CE 3.3Å
654	L	93.4	Very high	93.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.7	-46.8	173.4	-173.4	68.9	0	0	0	110.5	Y586 L588 H645 G646 S647 Q650	Y586-L654 HydrophobicContact CD1-CB 4.45Å; Y586-L654 HydrophobicContact CD1-CD1 3.94Å; Y586-L654 HydrophobicContact CD2-CD1 3.86Å; Y586-L654 HydrophobicContact CE1-CB 3.92Å; Y586-L654 HydrophobicContact CE1-CD1 4.06Å; Y586-L654 HydrophobicContact CE2-CD1 3.96Å; Y586-L654 HydrophobicContact CG-CD1 3.84Å; Y586-L654 PolarHBondContact OH-N 2.87Å; L588-L654 HydrophobicContact CD2-CD1 4.19Å; L588-L654 HydrophobicContact CD2-CD2 3.95Å; H645-L654 HydrophobicContact CB-CD1 4.47Å; G646-L654 PolarHBondContact N-O 3.26Å; S647-L654 VanDerWaalsContact OG-CD2 3.28Å; S647-L654 WeakPolarHBondContact OG-CD2 3.15Å; Q650-L654 HydrophobicContact CB-CD2 3.77Å; Q650-L654 HydrophobicContact CG-CD2 4.42Å
655	L	94.2	Very high	93.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-57	-51.2	179.3	179.6	61.7	0	0	0	113	W413 H415 G615 G646 K657	W413-L655 HydrophobicContact CH2-CG 4.36Å; W413-L655 VanDerWaalsContact CH2-O 3.29Å; W413-L655 WeakPolarHBondContact CH2-O 3.36Å; W413-L655 HydrophobicContact CZ2-CD1 3.87Å; W413-L655 HydrophobicContact CZ2-CD2 4.36Å; W413-L655 HydrophobicContact CZ2-CG 3.74Å; H415-L655 HydrophobicContact CB-CD2 3.92Å; H415-L655 VanDerWaalsContact CD2-CD2 3.49Å; H415-L655 WeakPolarHBondContact CD2-CD2 3.47Å; G615-L655 VanDerWaalsContact N-CD1 3.32Å; G646-L655 WeakPolarHBondContact O-CD1 3.26Å; L655-K657 VanDerWaalsContact C-N 3.31Å; L655-K657 PolarHBondContact O-N 2.91Å
656	H	95.1	Very high	93.6	Very high	33 Å²	33	37.2 Å²	37.2	15%	0.153	16%	0.162	C	C	.	.	H	α-helix	trans	-78.2	-7.9	-171.3	-66.1	170	0	0	0	114.8	W413 T652 V658 R659	W413-H656 AromaticContact CD2-CD2 3.88Å; W413-H656 AromaticContact CE2-CD2 3.77Å; W413-H656 AromaticContact CE3-CD2 3.86Å; W413-H656 AromaticContact CH2-CD2 3.74Å; W413-H656 AromaticContact CZ2-CD2 3.71Å; W413-H656 HydrophobicContact CZ3-CB 4.31Å; W413-H656 AromaticContact CZ3-CD2 3.8Å; W413-H656 PolarHBondContact O-CE1 3.27Å; W413-H656 PolarHBondContact O-NE2 2.93Å; T652-H656 VanDerWaalsContact O-CB 3.28Å; T652-H656 WeakPolarHBondContact O-CB 3.19Å; T652-H656 PolarHBondContact O-N 3.36Å; H656-V658 PolarHBondContact O-N 2.8Å; H656-R659 WeakPolarHBondContact O-CB 3.46Å; H656-R659 PolarHBondContact O-N 2.85Å
657	K	93.4	Very high	93.7	Very high	76 Å²	76	38 Å²	38	33%	0.33	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.3	-176	-73.1	-111	-178.7	165.5	0	114	H645 N653 L655 R659 L665	H645-K657 HydrophobicContact CB-CB 4.31Å; N653-K657 WeakPolarHBondContact O-CG 3.3Å; N653-K657 WeakPolarHBondContact OD1-CE 3.3Å; L655-K657 VanDerWaalsContact C-N 3.31Å; L655-K657 PolarHBondContact O-N 2.91Å; K657-R659 VanDerWaalsContact C-N 3.25Å; K657-R659 PolarHBondContact O-N 3.48Å; K657-L665 HydrophobicContact CB-CD1 3.78Å; K657-L665 VanDerWaalsContact O-CD1 3.26Å; K657-L665 WeakPolarHBondContact O-CD1 3.49Å
658	V	94.5	Very high	93.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.9	177	-55.3	0	0	0	0	113.9	W413 P614 H645 H656 R660 R661 L662 E666	W413-V658 HydrophobicContact CH2-CG2 4.08Å; P614-V658 HydrophobicContact CB-CG2 4.07Å; P614-V658 HydrophobicContact CG-CG2 4.04Å; H645-V658 HydrophobicContact CB-CG1 4.47Å; H656-V658 PolarHBondContact O-N 2.8Å; V658-R660 PolarHBondContact O-N 3.42Å; V658-R661 CarbonylContact O-C 3.57Å; V658-R661 PolarHBondContact O-N 3.2Å; V658-L662 HydrophobicContact CB-CD2 4.21Å; V658-L662 HydrophobicContact CG2-CD2 4.03Å; V658-L662 PolarHBondContact O-N 3.18Å; V658-E666 HydrophobicContact CG1-CG 3.98Å; V658-E666 WeakPolarHBondContact CG1-OE1 3.34Å
659	R	95.1	Very high	93.8	Very high	48 Å²	48	41.3 Å²	41.3	18%	0.181	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	120.2	-179.2	-173.8	55.1	170.3	121.6	-12.8	111.5	S412 W413 H656 K657 R661 Y735	S412-R659 PolarHBondContact O-NE 2.68Å; S412-R659 PolarHBondContact O-NH2 3.35Å; W413-R659 HydrophobicContact CZ3-CB 4.04Å; H656-R659 WeakPolarHBondContact O-CB 3.46Å; H656-R659 PolarHBondContact O-N 2.85Å; K657-R659 VanDerWaalsContact C-N 3.25Å; K657-R659 PolarHBondContact O-N 3.48Å; R659-R661 PolarHBondContact O-N 3.07Å; R659-Y735 WeakPolarHBondContact CD-O 3.33Å; R659-Y735 PolarHBondContact NH1-O 2.74Å
660	R	94	Very high	93.9	Very high	122 Å²	122	39 Å²	39	46%	0.46	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	21.5	-175.9	-54.7	-179.9	67.4	166.1	-0.5	114.2	V658 Y735 D741 V744	V658-R660 PolarHBondContact O-N 3.42Å; R660-Y735 PolarHBondContact N-O 3.44Å; R660-D741 IonicContact CZ-OD2 2.81Å; R660-D741 IonicContact NH2-OD2 3.57Å; R660-D741 PolarHBondContact NH2-OD2 3.3Å; R660-V744 HydrophobicContact CB-CG1 4.05Å
661	R	93.4	Very high	94	Very high	153 Å²	153	37.4 Å²	37.4	58%	0.577	16%	0.159	S	C	*	.			trans	-143.6	26.3	-176.4	-56.6	179.5	-160.2	-174.6	5.4	112.4	V658 R659 G663 K664	V658-R661 CarbonylContact O-C 3.57Å; V658-R661 PolarHBondContact O-N 3.2Å; R659-R661 PolarHBondContact O-N 3.07Å; R661-G663 PolarHBondContact O-N 2.95Å; R661-K664 WeakPolarHBondContact O-CB 3.25Å; R661-K664 PolarHBondContact O-N 2.8Å
662	L	93.3	Very high	94	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	138.9	179.6	-70.1	-175.7	0	0	0	111	P614 V658 K664 E666 Y695 Y698 F724 Y735 L736	P614-L662 HydrophobicContact CG-CD2 3.77Å; V658-L662 HydrophobicContact CB-CD2 4.21Å; V658-L662 HydrophobicContact CG2-CD2 4.03Å; V658-L662 PolarHBondContact O-N 3.18Å; L662-K664 PolarHBondContact O-N 3Å; L662-E666 WeakPolarHBondContact CA-OE1 3.45Å; L662-Y695 HydrophobicContact CD1-CE2 4.16Å; L662-Y695 HydrophobicContact CD2-CE2 4.38Å; L662-Y698 PolarHBondContact O-OH 2.91Å; L662-F724 HydrophobicContact CD1-CD1 4.3Å; L662-F724 HydrophobicContact CD1-CE1 3.95Å; L662-F724 HydrophobicContact CD1-CE2 4.36Å; L662-F724 HydrophobicContact CD1-CZ 4Å; L662-Y735 HydrophobicContact CD1-CD2 4.49Å; L662-Y735 HydrophobicContact CD1-CG 4.41Å; L662-Y735 HydrophobicContact CD2-CG 4.24Å; L662-L736 HydrophobicContact CB-CD2 4.02Å; L662-L736 HydrophobicContact CD1-CD1 4.37Å; L662-L736 HydrophobicContact CD1-CD2 3.72Å; L662-L736 HydrophobicContact CD1-CG 3.88Å; L662-L736 HydrophobicContact CG-CD2 3.67Å; L662-L736 HydrophobicContact CG-CG 4.38Å
663	G	91.4	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-25.2	-176.9	0	0	0	0	0	115.3	R661 E666 E667 Y695	R661-G663 PolarHBondContact O-N 2.95Å; G663-E666 VanDerWaalsContact C-OE2 3.3Å; G663-E666 PolarHBondContact N-OE1 3.49Å; G663-E666 PolarHBondContact N-OE2 2.98Å; G663-E666 VanDerWaalsContact N-OE2 3.12Å; G663-E667 WeakPolarHBondContact O-CB 3.5Å; G663-E667 PolarHBondContact O-N 2.96Å; G663-Y695 PolarHBondContact N-OH 3.4Å
664	K	92.6	Very high	94.3	Very high	137 Å²	137	37 Å²	37	60%	0.596	15%	0.153	S	C	*	.	H	α-helix	trans	-78.5	-43	-170.6	-178.8	171.9	179.5	170.6	0	113.8	R661 L662 E666	R661-K664 WeakPolarHBondContact O-CB 3.25Å; R661-K664 PolarHBondContact O-N 2.8Å; L662-K664 PolarHBondContact O-N 3Å; K664-E666 PolarHBondContact N-OE2 3.23Å
665	L	93.6	Very high	94.3	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.131	17%	0.166	C	C	.	.	H	α-helix	trans	-81.6	-35	178.9	-65	-177.3	0	0	0	110.1	H645 K657 R668 D669	H645-L665 HydrophobicContact CB-CB 4.07Å; H645-L665 HydrophobicContact CB-CD1 4.37Å; K657-L665 HydrophobicContact CB-CD1 3.78Å; K657-L665 VanDerWaalsContact O-CD1 3.26Å; K657-L665 WeakPolarHBondContact O-CD1 3.49Å; L665-R668 WeakPolarHBondContact O-CB 3.49Å; L665-R668 PolarHBondContact O-N 3.33Å; L665-D669 WeakPolarHBondContact O-CB 3.31Å; L665-D669 PolarHBondContact O-N 2.98Å
666	E	94.9	Very high	94.4	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-46.7	175.6	-51.3	93	126.1	0	0	110.8	V658 L662 G663 K664 R668 D669 Q670 Y695 L699	V658-E666 HydrophobicContact CG1-CG 3.98Å; V658-E666 WeakPolarHBondContact CG1-OE1 3.34Å; L662-E666 WeakPolarHBondContact CA-OE1 3.45Å; G663-E666 VanDerWaalsContact C-OE2 3.3Å; G663-E666 PolarHBondContact N-OE1 3.49Å; G663-E666 PolarHBondContact N-OE2 2.98Å; G663-E666 VanDerWaalsContact N-OE2 3.12Å; K664-E666 PolarHBondContact N-OE2 3.23Å; E666-R668 PolarHBondContact O-N 3.48Å; E666-D669 PolarHBondContact O-N 2.85Å; E666-Q670 WeakPolarHBondContact O-CB 3.36Å; E666-Q670 WeakPolarHBondContact O-CG 3.44Å; E666-Q670 PolarHBondContact O-N 2.94Å; E666-Y695 PolarHBondContact OE1-OH 3.29Å; E666-L699 HydrophobicContact CB-CD1 3.93Å; E666-L699 HydrophobicContact CB-CD2 3.65Å; E666-L699 HydrophobicContact CB-CG 4.47Å; E666-L699 HydrophobicContact CG-CD1 4.48Å; E666-L699 HydrophobicContact CG-CD2 4.36Å
667	E	94.8	Very high	94.4	Very high	17 Å²	17	41.7 Å²	41.7	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-50.1	172.5	-177	-176.5	-172.4	0	0	110.7	G663 D669 M671 M702 L703 S706 R753	G663-E667 WeakPolarHBondContact O-CB 3.5Å; G663-E667 PolarHBondContact O-N 2.96Å; E667-D669 PolarHBondContact O-N 2.85Å; E667-M671 HydrophobicContact CG-CE 4.06Å; E667-M671 HydrophobicContact CG-SD 4.46Å; E667-M671 WeakPolarHBondContact O-CB 3.26Å; E667-M671 VanDerWaalsContact O-CG 3.27Å; E667-M671 WeakPolarHBondContact O-CG 3.45Å; E667-M671 PolarHBondContact O-N 2.81Å; E667-M702 WeakPolarHBondContact OE2-CE 3.28Å; E667-L703 HydrophobicContact CG-CD2 4.17Å; E667-S706 WeakPolarHBondContact OE1-CB 3.5Å; E667-S706 PolarHBondContact OE1-OG 2.81Å; E667-R753 IonicContact OE1-CZ 3.69Å; E667-R753 IonicContact OE1-NH1 2.61Å; E667-R753 PolarHBondContact OE1-NH1 2.89Å; E667-R753 IonicContact OE1-NH2 3.08Å; E667-R753 IonicContact OE2-CZ 2.65Å; E667-R753 IonicContact OE2-NH1 2.82Å; E667-R753 IonicContact OE2-NH2 3.63Å; E667-R753 PolarHBondContact OE2-NH2 2.77Å
668	R	94.7	Very high	94.4	Very high	80 Å²	80	38.5 Å²	38.5	30%	0.302	16%	0.158	S	C	.	.	H	α-helix	trans	-58.3	-50.2	179.5	-175.5	-163.2	68.5	156.7	-3.2	112.3	D584 H645 L665 E666 M671 E672	D584-R668 IonicContact OD1-CZ 3.54Å; D584-R668 IonicContact OD1-NH1 2.72Å; D584-R668 PolarHBondContact OD1-NH1 2.9Å; D584-R668 IonicContact OD1-NH2 3.57Å; D584-R668 IonicContact OD2-CZ 2.79Å; D584-R668 IonicContact OD2-NH1 2.66Å; D584-R668 PolarHBondContact OD2-NH1 3.47Å; D584-R668 VanDerWaalsContact OD2-NH1 3.08Å; D584-R668 IonicContact OD2-NH2 3.7Å; D584-R668 PolarHBondContact OD2-NH2 2.62Å; H645-R668 PolarHBondContact CE1-NH2 3.01Å; H645-R668 VanDerWaalsContact CE1-NH2 3.34Å; H645-R668 PolarHBondContact ND1-NH2 2.92Å; L665-R668 WeakPolarHBondContact O-CB 3.49Å; L665-R668 PolarHBondContact O-N 3.33Å; E666-R668 PolarHBondContact O-N 3.48Å; R668-M671 PolarHBondContact O-N 3.28Å; R668-E672 PolarHBondContact O-N 2.8Å
669	D	95.4	Very high	94.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.8	-41.2	-172.7	-66.7	-1.8	0	0	0	111.4	I583 F642 H645 L665 E666 E667 E672 A673	I583-D669 HydrophobicContact CD1-CB 4.13Å; F642-D669 HydrophobicContact CE1-CB 4.17Å; F642-D669 WeakPolarHBondContact CE1-O 3.45Å; H645-D669 WeakPolarHBondContact CB-OD2 3.38Å; H645-D669 IonicContact CE1-OD2 3.14Å; H645-D669 IonicContact CG-OD2 2.7Å; H645-D669 PolarHBondContact N-OD2 3.49Å; H645-D669 IonicContact ND1-OD1 2.67Å; H645-D669 IonicContact ND1-OD2 2.76Å; H645-D669 PolarHBondContact ND1-OD2 3.18Å; L665-D669 WeakPolarHBondContact O-CB 3.31Å; L665-D669 PolarHBondContact O-N 2.98Å; E666-D669 PolarHBondContact O-N 2.85Å; E667-D669 PolarHBondContact O-N 2.85Å; D669-E672 PolarHBondContact O-N 3.12Å; D669-A673 PolarHBondContact O-N 2.99Å
670	Q	95.8	Very high	94.4	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-66.8	-36.8	175.1	-64	-67	-16.3	0	0	111.7	L608 V610 F642 E666 A673 L674 L703	L608-Q670 HydrophobicContact CD2-CB 4.29Å; V610-Q670 HydrophobicContact CG1-CG 4.09Å; F642-Q670 PolarHBondContact O-NE2 3.44Å; E666-Q670 WeakPolarHBondContact O-CB 3.36Å; E666-Q670 WeakPolarHBondContact O-CG 3.44Å; E666-Q670 PolarHBondContact O-N 2.94Å; Q670-A673 PolarHBondContact O-N 3.19Å; Q670-L674 WeakPolarHBondContact O-CG 3.22Å; Q670-L674 PolarHBondContact O-N 3.43Å; Q670-L703 HydrophobicContact CB-CD1 3.84Å; Q670-L703 HydrophobicContact CB-CD2 3.91Å; Q670-L703 HydrophobicContact CB-CG 4.49Å; Q670-L703 HydrophobicContact CG-CD1 4.3Å
671	M	94.4	Very high	94.5	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-38.1	171.7	-75.8	-168.3	-56.8	0	0	112.5	E667 R668 L674 R675 L703 S706 E708 F709	E667-M671 HydrophobicContact CG-CE 4.06Å; E667-M671 HydrophobicContact CG-SD 4.46Å; E667-M671 WeakPolarHBondContact O-CB 3.26Å; E667-M671 VanDerWaalsContact O-CG 3.27Å; E667-M671 WeakPolarHBondContact O-CG 3.45Å; E667-M671 PolarHBondContact O-N 2.81Å; R668-M671 PolarHBondContact O-N 3.28Å; M671-L674 WeakPolarHBondContact O-CB 3.29Å; M671-L674 PolarHBondContact O-N 3.48Å; M671-R675 VanDerWaalsContact O-CG 3.32Å; M671-R675 WeakPolarHBondContact O-CG 3.48Å; M671-R675 PolarHBondContact O-N 2.79Å; M671-L703 HydrophobicContact CG-CD2 3.7Å; M671-S706 PolarHBondContact SD-OG 2.97Å; M671-S706 VanDerWaalsContact SD-OG 3.35Å; M671-E708 HydrophobicContact CE-CB 3.96Å; M671-E708 HydrophobicContact CE-CG 4.46Å; M671-E708 HydrophobicContact SD-CB 3.76Å; M671-F709 HydrophobicContact CG-CB 4.15Å; M671-F709 HydrophobicContact SD-CB 3.86Å
672	E	94.9	Very high	94.6	Very high	64 Å²	64	36.8 Å²	36.8	30%	0.299	17%	0.17	S	C	.	.	H	α-helix	trans	-70.1	-35.9	177.7	-162.9	55	-142	0	0	111.8	I583 R668 D669 L674 R675 F676	I583-E672 HydrophobicContact CD1-CB 4.13Å; I583-E672 HydrophobicContact CD1-CG 4.5Å; R668-E672 PolarHBondContact O-N 2.8Å; D669-E672 PolarHBondContact O-N 3.12Å; E672-L674 VanDerWaalsContact C-N 3.34Å; E672-L674 PolarHBondContact O-N 2.86Å; E672-R675 PolarHBondContact O-N 3.03Å; E672-R675 WeakPolarHBondContact OE2-CD 3.2Å; E672-R675 IonicContact OE2-CZ 3.3Å; E672-R675 IonicContact OE2-NH1 3.98Å; E672-R675 PolarHBondContact OE2-NH1 3.5Å; E672-F676 WeakPolarHBondContact O-CB 3.48Å; E672-F676 PolarHBondContact O-N 3.35Å
673	A	95.1	Very high	94.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-41.8	169	0	0	0	0	0	112.3	I581 M590 F642 D669 Q670 F676 I677	I581-A673 HydrophobicContact CD1-CB 4.01Å; M590-A673 HydrophobicContact SD-CB 4.31Å; F642-A673 HydrophobicContact CB-CB 4.23Å; F642-A673 HydrophobicContact CD1-CB 3.6Å; F642-A673 HydrophobicContact CD2-CB 4.25Å; F642-A673 HydrophobicContact CE1-CB 3.94Å; F642-A673 HydrophobicContact CG-CB 3.77Å; F642-A673 HydrophobicContact CZ-CB 4.4Å; D669-A673 PolarHBondContact O-N 2.99Å; Q670-A673 PolarHBondContact O-N 3.19Å; A673-F676 PolarHBondContact O-N 3.25Å; A673-I677 WeakPolarHBondContact O-CG2 3.07Å; A673-I677 PolarHBondContact O-N 3.04Å
674	L	95.7	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-40.9	173.7	-72.9	168.1	0	0	0	112.7	L606 L608 I640 Q670 M671 E672 F676 S678 M688 F709 L712	L606-L674 HydrophobicContact CD2-CD2 3.81Å; L608-L674 HydrophobicContact CB-CD2 4.16Å; L608-L674 HydrophobicContact CD2-CD1 3.81Å; L608-L674 HydrophobicContact CD2-CD2 4.2Å; L608-L674 HydrophobicContact CD2-CG 4.02Å; I640-L674 HydrophobicContact CD1-CD2 4.18Å; Q670-L674 WeakPolarHBondContact O-CG 3.22Å; Q670-L674 PolarHBondContact O-N 3.43Å; M671-L674 WeakPolarHBondContact O-CB 3.29Å; M671-L674 PolarHBondContact O-N 3.48Å; E672-L674 VanDerWaalsContact C-N 3.34Å; E672-L674 PolarHBondContact O-N 2.86Å; L674-F676 VanDerWaalsContact C-N 3.31Å; L674-F676 PolarHBondContact O-N 2.85Å; L674-S678 WeakPolarHBondContact O-CB 3.31Å; L674-S678 PolarHBondContact O-N 2.89Å; L674-S678 PolarHBondContact O-OG 3.01Å; L674-M688 HydrophobicContact CD2-CE 3.94Å; L674-F709 HydrophobicContact CB-CD1 4.48Å; L674-F709 HydrophobicContact CB-CE1 3.91Å; L674-F709 HydrophobicContact CB-CE2 4.16Å; L674-F709 HydrophobicContact CB-CZ 3.74Å; L674-F709 HydrophobicContact CD1-CD1 4.09Å; L674-F709 HydrophobicContact CD1-CE1 3.96Å; L674-F709 HydrophobicContact CG-CE1 4.39Å; L674-L712 HydrophobicContact CD1-CD1 4.09Å; L674-L712 HydrophobicContact CD1-CD2 4.41Å; L674-L712 HydrophobicContact CD1-CG 4.41Å
675	R	94.7	Very high	95.1	Very high	70 Å²	70	36.3 Å²	36.3	26%	0.264	17%	0.169	S	C	.	.	H	α-helix	trans	-66.6	-30.4	173.7	-72.3	167.9	-179.7	160.1	3.5	112.8	M671 E672 S678 K679 E708 F709	M671-R675 VanDerWaalsContact O-CG 3.32Å; M671-R675 WeakPolarHBondContact O-CG 3.48Å; M671-R675 PolarHBondContact O-N 2.79Å; E672-R675 PolarHBondContact O-N 3.03Å; E672-R675 WeakPolarHBondContact OE2-CD 3.2Å; E672-R675 IonicContact OE2-CZ 3.3Å; E672-R675 IonicContact OE2-NH1 3.98Å; E672-R675 PolarHBondContact OE2-NH1 3.5Å; R675-S678 WeakPolarHBondContact CA-OG 3.47Å; R675-S678 PolarHBondContact O-OG 2.66Å; R675-K679 VanDerWaalsContact O-CE 3.29Å; R675-K679 WeakPolarHBondContact O-CE 3.39Å; R675-K679 WeakPolarHBondContact O-CG 3.37Å; R675-E708 IonicContact CZ-OE2 2.87Å; R675-E708 IonicContact NH1-OE2 3.69Å; R675-E708 IonicContact NH2-OE2 2.94Å; R675-E708 PolarHBondContact NH2-OE2 2.7Å; R675-F709 HydrophobicContact CG-CD2 4.04Å; R675-F709 HydrophobicContact CG-CE2 4Å
676	F	95	Very high	95.1	Very high	64 Å²	64	40.8 Å²	40.8	28%	0.281	19%	0.193	S	C	.	.	H	α-helix	trans	-71.7	-56	175	-176.7	-94.7	0	0	0	111	K579 I581 M590 E672 A673 L674 S678 K679	K579-F676 HydrophobicContact CB-CE1 4.49Å; K579-F676 HydrophobicContact CD-CE1 4.06Å; I581-F676 HydrophobicContact CD1-CB 3.9Å; I581-F676 HydrophobicContact CD1-CD1 3.73Å; I581-F676 HydrophobicContact CD1-CE1 4.45Å; I581-F676 HydrophobicContact CD1-CG 3.86Å; I581-F676 HydrophobicContact CG1-CD1 3.92Å; I581-F676 HydrophobicContact CG1-CE1 4.2Å; I581-F676 HydrophobicContact CG1-CG 4.09Å; M590-F676 HydrophobicContact CE-CD1 3.94Å; M590-F676 HydrophobicContact CE-CE1 4.31Å; E672-F676 WeakPolarHBondContact O-CB 3.48Å; E672-F676 PolarHBondContact O-N 3.35Å; A673-F676 PolarHBondContact O-N 3.25Å; L674-F676 VanDerWaalsContact C-N 3.31Å; L674-F676 PolarHBondContact O-N 2.85Å; F676-S678 VanDerWaalsContact C-N 3.35Å; F676-S678 PolarHBondContact O-N 3.15Å; F676-K679 WeakPolarHBondContact O-CB 3.24Å; F676-K679 PolarHBondContact O-N 3.39Å
677	I	95.3	Very high	95.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-32.1	-177	-164.2	71.9	0	0	0	112.9	M590 I592 L606 I640 A673 K679 E680 I683	M590-I677 HydrophobicContact CE-CB 4.19Å; M590-I677 HydrophobicContact CE-CD1 3.83Å; M590-I677 HydrophobicContact CE-CG1 4.46Å; M590-I677 HydrophobicContact SD-CB 4.42Å; I592-I677 HydrophobicContact CD1-CD1 3.75Å; I592-I677 HydrophobicContact CG1-CD1 4.34Å; L606-I677 HydrophobicContact CD1-CG1 4.5Å; L606-I677 HydrophobicContact CD2-CG2 3.62Å; I640-I677 HydrophobicContact CD1-CG2 4.11Å; A673-I677 WeakPolarHBondContact O-CG2 3.07Å; A673-I677 PolarHBondContact O-N 3.04Å; I677-K679 PolarHBondContact O-N 2.77Å; I677-K679 VanDerWaalsContact O-N 3.13Å; I677-E680 HydrophobicContact CD1-CG 3.98Å; I677-E680 VanDerWaalsContact O-CB 3.25Å; I677-E680 WeakPolarHBondContact O-CB 3.44Å; I677-E680 WeakPolarHBondContact O-CG 3.27Å; I677-E680 PolarHBondContact O-N 3.18Å; I677-I683 HydrophobicContact CG1-CD1 4.42Å; I677-I683 HydrophobicContact CG1-CG1 4.26Å
678	S	94.3	Very high	95.2	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.063	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.6	177.7	57.2	0	0	0	0	114.1	L674 R675 F676 E680 K685	L674-S678 WeakPolarHBondContact O-CB 3.31Å; L674-S678 PolarHBondContact O-N 2.89Å; L674-S678 PolarHBondContact O-OG 3.01Å; R675-S678 WeakPolarHBondContact CA-OG 3.47Å; R675-S678 PolarHBondContact O-OG 2.66Å; F676-S678 VanDerWaalsContact C-N 3.35Å; F676-S678 PolarHBondContact O-N 3.15Å; S678-E680 VanDerWaalsContact C-N 3.34Å; S678-K685 WeakPolarHBondContact O-CE 3.11Å; S678-K685 PolarHBondContact O-NZ 2.84Å
679	K	94.2	Very high	95.3	Very high	148 Å²	148	42 Å²	42	64%	0.643	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.6	168.5	-67.1	163.9	-174.4	167	0	112.5	R675 F676 I677	R675-K679 VanDerWaalsContact O-CE 3.29Å; R675-K679 WeakPolarHBondContact O-CE 3.39Å; R675-K679 WeakPolarHBondContact O-CG 3.37Å; F676-K679 WeakPolarHBondContact O-CB 3.24Å; F676-K679 PolarHBondContact O-N 3.39Å; I677-K679 PolarHBondContact O-N 2.77Å; I677-K679 VanDerWaalsContact O-N 3.13Å
680	E	95	Very high	95.4	Very high	39 Å²	39	42 Å²	42	18%	0.182	20%	0.198	C	C	.	.	S	Bend	trans	-69	137	178.6	-56.4	-80.7	145.4	0	0	110.7	K579 I677 S678 Y682 I683	K579-E680 IonicContact NZ-OE1 2.66Å; K579-E680 PolarHBondContact NZ-OE1 3.4Å; K579-E680 IonicContact NZ-OE2 2.99Å; K579-E680 PolarHBondContact NZ-OE2 3.09Å; I677-E680 HydrophobicContact CD1-CG 3.98Å; I677-E680 VanDerWaalsContact O-CB 3.25Å; I677-E680 WeakPolarHBondContact O-CB 3.44Å; I677-E680 WeakPolarHBondContact O-CG 3.27Å; I677-E680 PolarHBondContact O-N 3.18Å; S678-E680 VanDerWaalsContact C-N 3.34Å; E680-Y682 HydrophobicContact CB-CD1 4.14Å; E680-Y682 HydrophobicContact CB-CD2 4.49Å; E680-Y682 HydrophobicContact CB-CE1 3.67Å; E680-Y682 HydrophobicContact CB-CE2 4.07Å; E680-Y682 HydrophobicContact CG-CE1 4.15Å; E680-Y682 HydrophobicContact CG-CE2 4.49Å; E680-Y682 WeakPolarHBondContact CG-OH 3.48Å; E680-Y682 PolarHBondContact O-N 3.15Å; E680-Y682 WeakPolarHBondContact OE2-CE1 3.1Å; E680-Y682 VanDerWaalsContact OE2-CZ 3.26Å; E680-Y682 PolarHBondContact OE2-OH 3.19Å; E680-I683 HydrophobicContact CB-CG1 4.13Å; E680-I683 PolarHBondContact O-N 3.27Å
681	P	95.2	Very high	95.5	Very high	91 Å²	91	43 Å²	43	59%	0.591	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.3	-172.4	28.1	-35.9	0	0	0	113.7	I683	P681-I683 VanDerWaalsContact C-N 3.33Å
682	Y	95.9	Very high	95.6	Very high	9 Å²	9	42.9 Å²	42.9	4%	0.035	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	5.6	-178.3	56.3	-99.6	0	0	0	114.1	K594 F598 A602 Y604 I638 E680	K594-Y682 PolarHBondContact NZ-OH 3.06Å; F598-Y682 HydrophobicContact CE2-CD1 4.18Å; F598-Y682 AromaticContact CE2-CD2 3.66Å; F598-Y682 HydrophobicContact CE2-CD2 3.66Å; F598-Y682 HydrophobicContact CE2-CE2 4.09Å; F598-Y682 AromaticContact CE2-CG 3.71Å; F598-Y682 HydrophobicContact CE2-CG 3.71Å; F598-Y682 AromaticContact CZ-CD1 3.66Å; F598-Y682 HydrophobicContact CZ-CD1 3.66Å; F598-Y682 AromaticContact CZ-CD2 3.97Å; F598-Y682 HydrophobicContact CZ-CD2 3.97Å; F598-Y682 AromaticContact CZ-CE1 3.94Å; F598-Y682 HydrophobicContact CZ-CE1 3.94Å; F598-Y682 HydrophobicContact CZ-CE2 4.23Å; F598-Y682 AromaticContact CZ-CG 3.67Å; F598-Y682 HydrophobicContact CZ-CG 3.67Å; A602-Y682 VanDerWaalsContact O-CA 3.24Å; A602-Y682 WeakPolarHBondContact O-CA 3.25Å; A602-Y682 WeakPolarHBondContact O-CB 3.22Å; Y604-Y682 WeakPolarHBondContact CD2-O 3.08Å; Y604-Y682 PolarHBondContact N-O 3.33Å; I638-Y682 HydrophobicContact CD1-CD2 3.53Å; I638-Y682 HydrophobicContact CD1-CE2 3.7Å; E680-Y682 HydrophobicContact CB-CD1 4.14Å; E680-Y682 HydrophobicContact CB-CD2 4.49Å; E680-Y682 HydrophobicContact CB-CE1 3.67Å; E680-Y682 HydrophobicContact CB-CE2 4.07Å; E680-Y682 HydrophobicContact CG-CE1 4.15Å; E680-Y682 HydrophobicContact CG-CE2 4.49Å; E680-Y682 WeakPolarHBondContact CG-OH 3.48Å; E680-Y682 PolarHBondContact O-N 3.15Å; E680-Y682 WeakPolarHBondContact OE2-CE1 3.1Å; E680-Y682 VanDerWaalsContact OE2-CZ 3.26Å; E680-Y682 PolarHBondContact OE2-OH 3.19Å
683	I	97.3	Very high	95.6	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.6	-179.9	-63.2	-61.6	0	0	0	111	L606 I638 I677 E680 P681 K685	L606-I683 HydrophobicContact CB-CG2 4.29Å; L606-I683 HydrophobicContact CD1-CD1 4.09Å; I638-I683 HydrophobicContact CB-CD1 4.35Å; I638-I683 HydrophobicContact CD1-CD1 3.87Å; I638-I683 HydrophobicContact CG2-CD1 4.32Å; I677-I683 HydrophobicContact CG1-CD1 4.42Å; I677-I683 HydrophobicContact CG1-CG1 4.26Å; E680-I683 HydrophobicContact CB-CG1 4.13Å; E680-I683 PolarHBondContact O-N 3.27Å; P681-I683 VanDerWaalsContact C-N 3.33Å; I683-K685 PolarHBondContact O-N 3.36Å
684	D	96.1	Very high	95.5	Very high	27 Å²	27	43.8 Å²	43.8	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	102.6	172.5	-168.4	-22.5	0	0	0	111.4	H603 Y604 N686 R687	H603-D684 HydrophobicContact CB-CB 4.29Å; Y604-D684 WeakPolarHBondContact O-CB 3.26Å; Y604-D684 PolarHBondContact O-N 2.92Å; D684-N686 PolarHBondContact O-N 2.96Å; D684-N686 VanDerWaalsContact O-N 3.11Å; D684-N686 WeakPolarHBondContact OD1-CA 3.45Å; D684-N686 WeakPolarHBondContact OD1-CB 3.35Å; D684-N686 PolarHBondContact OD1-N 2.72Å; D684-R687 HydrophobicContact CB-CB 4.32Å; D684-R687 CarbonylContact O-C 3.51Å; D684-R687 PolarHBondContact O-N 3.43Å; D684-R687 IonicContact OD2-CZ 3.18Å; D684-R687 IonicContact OD2-NE 2.72Å; D684-R687 PolarHBondContact OD2-NE 2.75Å; D684-R687 IonicContact OD2-NH2 2.76Å; D684-R687 PolarHBondContact OD2-NH2 2.88Å
685	K	94.1	Very high	95.6	Very high	101 Å²	101	43.9 Å²	43.9	44%	0.439	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	-16.1	177.6	-66.4	168.4	-179.8	169	0	114.3	S678 I683	S678-K685 WeakPolarHBondContact O-CE 3.11Å; S678-K685 PolarHBondContact O-NZ 2.84Å; I683-K685 PolarHBondContact O-N 3.36Å
686	N	93.9	Very high	95.6	Very high	120 Å²	120	40.6 Å²	40.6	64%	0.642	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	-14.3	176.4	-61.6	-49.1	0	0	0	112.8	D684 K713	D684-N686 PolarHBondContact O-N 2.96Å; D684-N686 VanDerWaalsContact O-N 3.11Å; D684-N686 WeakPolarHBondContact OD1-CA 3.45Å; D684-N686 WeakPolarHBondContact OD1-CB 3.35Å; D684-N686 PolarHBondContact OD1-N 2.72Å; N686-K713 VanDerWaalsContact O-CG 3.28Å; N686-K713 WeakPolarHBondContact O-CG 3.4Å
687	R	95.3	Very high	95.7	Very high	121 Å²	121	37.5 Å²	37.5	46%	0.457	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	60.2	179.9	-66.6	-176.9	-71.7	146.7	6.1	111	H603 P605 L606 D684	H603-R687 PolarHBondContact O-NH2 2.93Å; P605-R687 CarbonylContact C-O 3.58Å; P605-R687 VanDerWaalsContact CA-O 3.3Å; P605-R687 WeakPolarHBondContact CA-O 3.26Å; P605-R687 HydrophobicContact CB-CB 3.7Å; L606-R687 PolarHBondContact N-O 3.43Å; D684-R687 HydrophobicContact CB-CB 4.32Å; D684-R687 CarbonylContact O-C 3.51Å; D684-R687 PolarHBondContact O-N 3.43Å; D684-R687 IonicContact OD2-CZ 3.18Å; D684-R687 IonicContact OD2-NE 2.72Å; D684-R687 PolarHBondContact OD2-NE 2.75Å; D684-R687 IonicContact OD2-NH2 2.76Å; D684-R687 PolarHBondContact OD2-NH2 2.88Å
688	M	96.9	Very high	95.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131	174.1	-54.8	-179.3	78.6	0	0	110.2	L606 L674 F709 Q711 L712 K713	L606-M688 HydrophobicContact CB-CG 4.38Å; L606-M688 HydrophobicContact CD2-CE 3.45Å; L606-M688 VanDerWaalsContact CD2-CE 3.45Å; L606-M688 CarbonylContact O-C 3.53Å; L606-M688 WeakPolarHBondContact O-CA 3.44Å; L674-M688 HydrophobicContact CD2-CE 3.94Å; M688-F709 HydrophobicContact CE-CE1 4.08Å; M688-F709 HydrophobicContact CE-CZ 3.8Å; M688-F709 HydrophobicContact SD-CE1 4.27Å; M688-F709 HydrophobicContact SD-CZ 4.06Å; M688-Q711 HydrophobicContact SD-CB 3.71Å; M688-L712 HydrophobicContact CB-CD2 4.22Å; M688-K713 PolarHBondContact O-N 2.76Å
689	G	97	Very high	95.9	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	165.3	177.4	0	0	0	0	0	113.4	L606 L608 C714	L606-G689 PolarHBondContact O-N 3.23Å; L608-G689 PolarHBondContact N-O 3.31Å; G689-C714 VanDerWaalsContact CA-O 3.24Å; G689-C714 WeakPolarHBondContact CA-O 3.3Å
690	V	97.9	Very high	96	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.9	179	64.3	0	0	0	0	111.7	L608 V610 A700 L703 L704 L712 C714 G715 A716	L608-V690 HydrophobicContact CB-CG2 4.41Å; L608-V690 HydrophobicContact CD2-CG2 4.2Å; L608-V690 HydrophobicContact CG-CG2 4.31Å; L608-V690 CarbonylContact O-C 3.59Å; L608-V690 WeakPolarHBondContact O-CA 3.42Å; V610-V690 HydrophobicContact CG2-CG2 4.17Å; V690-A700 HydrophobicContact CG1-CB 4.29Å; V690-A700 WeakPolarHBondContact CG1-O 3.4Å; V690-A700 HydrophobicContact CG2-CB 3.91Å; V690-L703 HydrophobicContact CG2-CD1 4.07Å; V690-L704 HydrophobicContact CG1-CB 4.2Å; V690-L712 HydrophobicContact CB-CD1 4.5Å; V690-L712 HydrophobicContact CB-CD2 4.19Å; V690-L712 HydrophobicContact CG1-CD1 4.35Å; V690-C714 PolarHBondContact N-O 2.78Å; V690-G715 CarbonylContact O-C 3.59Å; V690-G715 WeakPolarHBondContact O-CA 3.27Å; V690-A716 PolarHBondContact O-N 3.26Å
691	Y	97.9	Very high	96.1	Very high	24 Å²	24	28.4 Å²	28.4	9%	0.094	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.3	176.4	169.3	-80.3	0	0	0	111	L608 I609 V610 W627 A716 V718 M807	L608-Y691 PolarHBondContact O-N 3.13Å; I609-Y691 WeakPolarHBondContact CA-O 3.5Å; I609-Y691 HydrophobicContact CG2-CD1 4.03Å; V610-Y691 WeakPolarHBondContact CG2-O 3.5Å; V610-Y691 PolarHBondContact N-O 2.99Å; W627-Y691 AromaticContact CH2-CD1 3.73Å; W627-Y691 HydrophobicContact CH2-CD1 3.73Å; W627-Y691 AromaticContact CH2-CD2 3.92Å; W627-Y691 HydrophobicContact CH2-CD2 3.92Å; W627-Y691 HydrophobicContact CH2-CE1 4.12Å; W627-Y691 HydrophobicContact CH2-CE2 4.28Å; W627-Y691 AromaticContact CH2-CG 3.64Å; W627-Y691 HydrophobicContact CH2-CG 3.64Å; W627-Y691 AromaticContact CZ2-CD1 3.56Å; W627-Y691 HydrophobicContact CZ2-CD1 3.56Å; W627-Y691 HydrophobicContact CZ2-CD2 4.22Å; W627-Y691 AromaticContact CZ2-CE1 3.52Å; W627-Y691 HydrophobicContact CZ2-CE1 3.52Å; W627-Y691 HydrophobicContact CZ2-CE2 4.17Å; W627-Y691 AromaticContact CZ2-CG 3.93Å; W627-Y691 HydrophobicContact CZ2-CG 3.93Å; W627-Y691 AromaticContact CZ2-CZ 3.84Å; Y691-A716 WeakPolarHBondContact CA-O 3.35Å; Y691-A716 HydrophobicContact CD2-CB 4Å; Y691-V718 HydrophobicContact CE2-CG2 3.63Å; Y691-V718 WeakPolarHBondContact OH-CG2 3.48Å; Y691-M807 WeakPolarHBondContact OH-CE 3.43Å
692	G	96.8	Very high	96.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	163.5	166	0	0	0	0	0	114.5	V610 G696 G697 A716 A717 V718	V610-G692 VanDerWaalsContact O-CA 3.25Å; V610-G692 WeakPolarHBondContact O-CA 3.43Å; G692-G696 WeakPolarHBondContact CA-O 3.49Å; G692-G697 VanDerWaalsContact C-N 3.33Å; G692-G697 WeakPolarHBondContact O-CA 3.39Å; G692-A716 PolarHBondContact N-O 3.32Å; G692-A716 VanDerWaalsContact N-O 3.13Å; G692-A717 WeakPolarHBondContact O-CA 3.49Å; G692-V718 PolarHBondContact O-N 3.27Å
693	K	93.4	Very high	96.1	Very high	61 Å²	61	24 Å²	24	27%	0.265	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.6	178.5	-179.4	178	-172.8	172.5	0	111.6	Y695 G696 G697 V718 C803 M807	K693-Y695 PolarHBondContact O-N 2.79Å; K693-Y695 VanDerWaalsContact O-N 3.08Å; K693-G696 VanDerWaalsContact O-CA 3.29Å; K693-G696 WeakPolarHBondContact O-CA 3.48Å; K693-G696 PolarHBondContact O-N 3.47Å; K693-G697 VanDerWaalsContact C-N 3.26Å; K693-G697 PolarHBondContact O-N 2.92Å; K693-V718 CarbonylContact C-O 3.5Å; K693-V718 VanDerWaalsContact CA-O 3.24Å; K693-V718 WeakPolarHBondContact CA-O 3.38Å; K693-V718 HydrophobicContact CB-CB 4.17Å; K693-V718 HydrophobicContact CD-CG1 4.47Å; K693-V718 HydrophobicContact CG-CB 4.12Å; K693-V718 HydrophobicContact CG-CG1 4.21Å; K693-C803 WeakPolarHBondContact CE-SG 3.27Å; K693-C803 PolarHBondContact NZ-O 2.65Å; K693-C803 VanDerWaalsContact NZ-O 3.11Å; K693-C803 PolarHBondContact NZ-SG 2.64Å; K693-M807 HydrophobicContact CD-SD 3.58Å; K693-M807 VanDerWaalsContact CD-SD 3.58Å; K693-M807 PolarHBondContact NZ-SD 3.43Å
694	A	94.1	Very high	96	Very high	23 Å²	23	23.9 Å²	23.9	19%	0.19	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-110.4	177	0	0	0	0	0	112.1	G697 Y698 V718 S719 I721 V773	A694-G697 WeakPolarHBondContact O-CA 3.02Å; A694-G697 PolarHBondContact O-N 2.9Å; A694-G697 VanDerWaalsContact O-N 3.08Å; A694-Y698 PolarHBondContact O-N 3.47Å; A694-V718 PolarHBondContact N-O 3.31Å; A694-S719 VanDerWaalsContact CA-O 3.25Å; A694-S719 WeakPolarHBondContact CA-O 3.35Å; A694-S719 PolarHBondContact N-O 2.86Å; A694-I721 PolarHBondContact O-N 2.93Å; A694-V773 HydrophobicContact CB-CG2 4.01Å
695	Y	96.4	Very high	95.9	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-68.6	-33.7	172.1	-168.5	-89.7	0	0	0	112.7	D611 G612 T613 L662 G663 E666 K693 G697 Y698 L699 F724 F731	D611-Y695 CarbonylContact O-C 3.57Å; G612-Y695 VanDerWaalsContact O-CE1 3.23Å; G612-Y695 WeakPolarHBondContact O-CE1 3.27Å; T613-Y695 WeakPolarHBondContact OG1-CB 3.4Å; L662-Y695 HydrophobicContact CD1-CE2 4.16Å; L662-Y695 HydrophobicContact CD2-CE2 4.38Å; G663-Y695 PolarHBondContact N-OH 3.4Å; E666-Y695 PolarHBondContact OE1-OH 3.29Å; K693-Y695 PolarHBondContact O-N 2.79Å; K693-Y695 VanDerWaalsContact O-N 3.08Å; Y695-G697 PolarHBondContact O-N 3.17Å; Y695-Y698 HydrophobicContact CD2-CD1 4.34Å; Y695-Y698 AromaticContact CE2-CD1 3.89Å; Y695-Y698 HydrophobicContact CE2-CD1 3.89Å; Y695-Y698 HydrophobicContact CE2-CE1 4.31Å; Y695-Y698 AromaticContact CZ-CD1 3.99Å; Y695-Y698 VanDerWaalsContact O-CB 3.24Å; Y695-Y698 WeakPolarHBondContact O-CB 3.49Å; Y695-Y698 PolarHBondContact O-N 3.13Å; Y695-L699 HydrophobicContact CD1-CD1 4.2Å; Y695-L699 HydrophobicContact CD1-CG 4.15Å; Y695-L699 HydrophobicContact CE1-CD1 3.81Å; Y695-L699 HydrophobicContact CE1-CD2 4.02Å; Y695-L699 HydrophobicContact CE1-CG 3.77Å; Y695-L699 PolarHBondContact O-N 3.19Å; Y695-F724 AromaticContact CD2-CE1 4Å; Y695-F724 HydrophobicContact CD2-CE1 4Å; Y695-F724 HydrophobicContact CD2-CZ 4.04Å; Y695-F724 AromaticContact CE2-CE1 3.88Å; Y695-F724 HydrophobicContact CE2-CE1 3.88Å; Y695-F724 AromaticContact CE2-CZ 3.63Å; Y695-F724 HydrophobicContact CE2-CZ 3.63Å; Y695-F731 HydrophobicContact CD2-CE1 4.3Å; Y695-F731 AromaticContact CD2-CZ 4Å; Y695-F731 HydrophobicContact CD2-CZ 4Å
696	G	96.3	Very high	95.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.2	-32.8	165.8	0	0	0	0	0	112.4	V610 D611 G692 K693 L699 A700	V610-G696 WeakPolarHBondContact CG2-O 3.27Å; V610-G696 WeakPolarHBondContact O-CA 3.48Å; D611-G696 WeakPolarHBondContact O-CA 3.28Å; D611-G696 PolarHBondContact O-N 3.41Å; D611-G696 VanDerWaalsContact O-N 3.1Å; G692-G696 WeakPolarHBondContact CA-O 3.49Å; K693-G696 VanDerWaalsContact O-CA 3.29Å; K693-G696 WeakPolarHBondContact O-CA 3.48Å; K693-G696 PolarHBondContact O-N 3.47Å; G696-L699 PolarHBondContact O-N 3.22Å; G696-A700 VanDerWaalsContact O-CB 3.23Å; G696-A700 WeakPolarHBondContact O-CB 3.49Å; G696-A700 PolarHBondContact O-N 2.94Å
697	G	96.6	Very high	95.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.8	-37.1	174.7	0	0	0	0	0	112	G692 K693 A694 Y695 T701	G692-G697 VanDerWaalsContact C-N 3.33Å; G692-G697 WeakPolarHBondContact O-CA 3.39Å; K693-G697 VanDerWaalsContact C-N 3.26Å; K693-G697 PolarHBondContact O-N 2.92Å; A694-G697 WeakPolarHBondContact O-CA 3.02Å; A694-G697 PolarHBondContact O-N 2.9Å; A694-G697 VanDerWaalsContact O-N 3.08Å; Y695-G697 PolarHBondContact O-N 3.17Å; G697-T701 WeakPolarHBondContact O-CB 3.33Å; G697-T701 PolarHBondContact O-N 2.94Å; G697-T701 VanDerWaalsContact O-N 3.13Å; G697-T701 PolarHBondContact O-OG1 2.96Å
698	Y	97.3	Very high	94.9	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-58.3	-54.5	168.5	172.1	-109.8	0	0	0	111.3	L662 A694 Y695 A700 T701 M702 I721 F724 A748 L750	L662-Y698 PolarHBondContact O-OH 2.91Å; A694-Y698 PolarHBondContact O-N 3.47Å; Y695-Y698 HydrophobicContact CD2-CD1 4.34Å; Y695-Y698 AromaticContact CE2-CD1 3.89Å; Y695-Y698 HydrophobicContact CE2-CD1 3.89Å; Y695-Y698 HydrophobicContact CE2-CE1 4.31Å; Y695-Y698 AromaticContact CZ-CD1 3.99Å; Y695-Y698 VanDerWaalsContact O-CB 3.24Å; Y695-Y698 WeakPolarHBondContact O-CB 3.49Å; Y695-Y698 PolarHBondContact O-N 3.13Å; Y698-A700 PolarHBondContact O-N 3.28Å; Y698-T701 PolarHBondContact O-N 2.77Å; Y698-M702 HydrophobicContact CD2-CG 4.5Å; Y698-M702 HydrophobicContact CE1-CG 4.28Å; Y698-M702 HydrophobicContact CE2-CG 4.11Å; Y698-M702 HydrophobicContact CE2-SD 4.36Å; Y698-M702 WeakPolarHBondContact O-CG 3.41Å; Y698-M702 PolarHBondContact O-N 3.37Å; Y698-I721 VanDerWaalsContact CB-O 3.26Å; Y698-I721 WeakPolarHBondContact CB-O 3.35Å; Y698-I721 VanDerWaalsContact CD2-O 3.3Å; Y698-I721 WeakPolarHBondContact CD2-O 3.47Å; Y698-F724 HydrophobicContact CD1-CE2 4.34Å; Y698-F724 AromaticContact CD1-CZ 3.92Å; Y698-F724 HydrophobicContact CD1-CZ 3.92Å; Y698-F724 HydrophobicContact CD2-CE2 4.23Å; Y698-F724 HydrophobicContact CD2-CZ 4.29Å; Y698-F724 AromaticContact CE1-CE2 3.93Å; Y698-F724 HydrophobicContact CE1-CE2 3.93Å; Y698-F724 AromaticContact CE1-CZ 3.89Å; Y698-F724 HydrophobicContact CE1-CZ 3.89Å; Y698-F724 AromaticContact CE2-CE2 3.83Å; Y698-F724 HydrophobicContact CE2-CE2 3.83Å; Y698-F724 HydrophobicContact CE2-CZ 4.28Å; Y698-F724 HydrophobicContact CG-CE2 4.48Å; Y698-F724 HydrophobicContact CG-CZ 4.12Å; Y698-F724 AromaticContact CZ-CE2 3.66Å; Y698-A748 WeakPolarHBondContact CE2-O 3.34Å; Y698-A748 PolarHBondContact OH-O 2.95Å; Y698-L750 HydrophobicContact CD2-CD1 3.92Å; Y698-L750 HydrophobicContact CD2-CD2 3.62Å; Y698-L750 HydrophobicContact CD2-CG 3.66Å; Y698-L750 HydrophobicContact CE2-CD1 4.49Å; Y698-L750 HydrophobicContact CE2-CD2 3.45Å; Y698-L750 VanDerWaalsContact CE2-CD2 3.45Å; Y698-L750 HydrophobicContact CE2-CG 3.75Å
699	L	96.8	Very high	94.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-63.6	-40.5	179.8	-66.9	-172.7	0	0	0	113.4	V610 E666 Y695 G696 T701 M702 L703	V610-L699 HydrophobicContact CG2-CB 4.08Å; E666-L699 HydrophobicContact CB-CD1 3.93Å; E666-L699 HydrophobicContact CB-CD2 3.65Å; E666-L699 HydrophobicContact CB-CG 4.47Å; E666-L699 HydrophobicContact CG-CD1 4.48Å; E666-L699 HydrophobicContact CG-CD2 4.36Å; Y695-L699 HydrophobicContact CD1-CD1 4.2Å; Y695-L699 HydrophobicContact CD1-CG 4.15Å; Y695-L699 HydrophobicContact CE1-CD1 3.81Å; Y695-L699 HydrophobicContact CE1-CD2 4.02Å; Y695-L699 HydrophobicContact CE1-CG 3.77Å; Y695-L699 PolarHBondContact O-N 3.19Å; G696-L699 PolarHBondContact O-N 3.22Å; L699-T701 VanDerWaalsContact C-N 3.27Å; L699-T701 PolarHBondContact O-N 2.99Å; L699-M702 WeakPolarHBondContact O-CB 3.25Å; L699-M702 PolarHBondContact O-N 3.21Å; L699-L703 WeakPolarHBondContact O-CB 3.48Å; L699-L703 VanDerWaalsContact O-CG 3.3Å; L699-L703 WeakPolarHBondContact O-CG 3.34Å; L699-L703 PolarHBondContact O-N 3.08Å
700	A	96.9	Very high	93.7	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.017	12%	0.119	C	C	.	.	H	α-helix	trans	-61	-39.2	176.6	0	0	0	0	0	111.4	V610 V690 G696 Y698 L704	V610-A700 HydrophobicContact CG2-CB 3.96Å; V690-A700 HydrophobicContact CG1-CB 4.29Å; V690-A700 WeakPolarHBondContact CG1-O 3.4Å; V690-A700 HydrophobicContact CG2-CB 3.91Å; G696-A700 VanDerWaalsContact O-CB 3.23Å; G696-A700 WeakPolarHBondContact O-CB 3.49Å; G696-A700 PolarHBondContact O-N 2.94Å; Y698-A700 PolarHBondContact O-N 3.28Å; A700-L704 WeakPolarHBondContact O-CB 3.38Å; A700-L704 PolarHBondContact O-N 3.24Å
701	T	96.4	Very high	93.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-71.3	-40.6	176.1	-48.5	0	0	0	0	111.6	G697 Y698 L699 L704 S705 L750 L757 F762 F781	G697-T701 WeakPolarHBondContact O-CB 3.33Å; G697-T701 PolarHBondContact O-N 2.94Å; G697-T701 VanDerWaalsContact O-N 3.13Å; G697-T701 PolarHBondContact O-OG1 2.96Å; Y698-T701 PolarHBondContact O-N 2.77Å; L699-T701 VanDerWaalsContact C-N 3.27Å; L699-T701 PolarHBondContact O-N 2.99Å; T701-L704 PolarHBondContact O-N 3.25Å; T701-S705 VanDerWaalsContact O-CB 3.27Å; T701-S705 WeakPolarHBondContact O-CB 3.39Å; T701-S705 PolarHBondContact O-N 3.24Å; T701-S705 PolarHBondContact O-OG 2.82Å; T701-S705 VanDerWaalsContact O-OG 3.05Å; T701-L750 HydrophobicContact CG2-CD1 3.84Å; T701-L757 HydrophobicContact CG2-CD1 4.13Å; T701-F762 HydrophobicContact CG2-CE1 4.29Å; T701-F762 HydrophobicContact CG2-CE2 4.26Å; T701-F762 HydrophobicContact CG2-CZ 3.75Å; T701-F762 WeakPolarHBondContact OG1-CZ 3.44Å; T701-F781 HydrophobicContact CG2-CE1 3.82Å; T701-F781 HydrophobicContact CG2-CZ 3.83Å
702	M	95	Very high	93.2	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.034	13%	0.127	C	C	.	.	H	α-helix	trans	-55	-53.2	171.6	-73.2	-73.2	-80.8	0	0	111	E667 Y698 L699 L704 S705 S706 L750 R753	E667-M702 WeakPolarHBondContact OE2-CE 3.28Å; Y698-M702 HydrophobicContact CD2-CG 4.5Å; Y698-M702 HydrophobicContact CE1-CG 4.28Å; Y698-M702 HydrophobicContact CE2-CG 4.11Å; Y698-M702 HydrophobicContact CE2-SD 4.36Å; Y698-M702 WeakPolarHBondContact O-CG 3.41Å; Y698-M702 PolarHBondContact O-N 3.37Å; L699-M702 WeakPolarHBondContact O-CB 3.25Å; L699-M702 PolarHBondContact O-N 3.21Å; M702-L704 PolarHBondContact O-N 3.27Å; M702-S705 CarbonylContact O-C 3.59Å; M702-S705 PolarHBondContact O-N 3.06Å; M702-S705 PolarHBondContact O-OG 2.91Å; M702-S706 PolarHBondContact O-N 2.99Å; M702-L750 HydrophobicContact CG-CD2 3.69Å; M702-L750 HydrophobicContact SD-CD2 3.56Å; M702-L750 VanDerWaalsContact SD-CD2 3.56Å; M702-R753 HydrophobicContact SD-CG 4.33Å
703	L	95.8	Very high	93.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-44.6	-179.7	-72.7	166	0	0	0	113	L608 V610 E667 Q670 M671 V690 L699 S705 S706 L712	L608-L703 HydrophobicContact CD2-CD1 4.01Å; V610-L703 HydrophobicContact CG1-CD1 4.08Å; E667-L703 HydrophobicContact CG-CD2 4.17Å; Q670-L703 HydrophobicContact CB-CD1 3.84Å; Q670-L703 HydrophobicContact CB-CD2 3.91Å; Q670-L703 HydrophobicContact CB-CG 4.49Å; Q670-L703 HydrophobicContact CG-CD1 4.3Å; M671-L703 HydrophobicContact CG-CD2 3.7Å; V690-L703 HydrophobicContact CG2-CD1 4.07Å; L699-L703 WeakPolarHBondContact O-CB 3.48Å; L699-L703 VanDerWaalsContact O-CG 3.3Å; L699-L703 WeakPolarHBondContact O-CG 3.34Å; L699-L703 PolarHBondContact O-N 3.08Å; L703-S705 VanDerWaalsContact C-N 3.25Å; L703-S705 PolarHBondContact O-N 2.67Å; L703-S706 WeakPolarHBondContact O-CB 3.4Å; L703-S706 PolarHBondContact O-N 3.38Å; L703-L712 HydrophobicContact CB-CD1 4.1Å
704	L	95.7	Very high	93.1	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-65.4	-31.1	177.9	-172	64.3	0	0	0	112.4	V690 A700 T701 M702 S706 L712 L757 K760 F762	V690-L704 HydrophobicContact CG1-CB 4.2Å; A700-L704 WeakPolarHBondContact O-CB 3.38Å; A700-L704 PolarHBondContact O-N 3.24Å; T701-L704 PolarHBondContact O-N 3.25Å; M702-L704 PolarHBondContact O-N 3.27Å; L704-S706 VanDerWaalsContact C-N 3.32Å; L704-L712 HydrophobicContact CD1-CB 4.19Å; L704-L757 HydrophobicContact CB-CD2 4.04Å; L704-L757 HydrophobicContact CD2-CD2 3.82Å; L704-L757 HydrophobicContact CG-CD2 3.68Å; L704-K760 HydrophobicContact CD1-CB 4.09Å; L704-K760 HydrophobicContact CD1-CD 4.05Å; L704-K760 HydrophobicContact CD1-CG 4.11Å; L704-K760 HydrophobicContact CD2-CB 4.18Å; L704-K760 HydrophobicContact CG-CB 4.04Å; L704-K760 HydrophobicContact CG-CG 4.09Å; L704-K760 WeakPolarHBondContact O-CE 3.21Å; L704-F762 HydrophobicContact CD2-CB 3.93Å; L704-F762 HydrophobicContact CD2-CD2 3.51Å; L704-F762 HydrophobicContact CD2-CE2 4.36Å; L704-F762 HydrophobicContact CD2-CG 4.02Å
705	S	93.3	Very high	93.3	Very high	2 Å²	2	28 Å²	28	1%	0.014	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	10.6	176.9	76.8	0	0	0	0	114.4	T701 M702 L703 R753 R756	T701-S705 VanDerWaalsContact O-CB 3.27Å; T701-S705 WeakPolarHBondContact O-CB 3.39Å; T701-S705 PolarHBondContact O-N 3.24Å; T701-S705 PolarHBondContact O-OG 2.82Å; T701-S705 VanDerWaalsContact O-OG 3.05Å; M702-S705 CarbonylContact O-C 3.59Å; M702-S705 PolarHBondContact O-N 3.06Å; M702-S705 PolarHBondContact O-OG 2.91Å; L703-S705 VanDerWaalsContact C-N 3.25Å; L703-S705 PolarHBondContact O-N 2.67Å; S705-R753 WeakPolarHBondContact OG-CB 3.22Å; S705-R756 WeakPolarHBondContact O-CD 3.06Å
706	S	91.3	Very high	93.3	Very high	9 Å²	9	28.9 Å²	28.9	6%	0.063	15%	0.152	C	C	.	.			trans	-85.9	132.8	-176.5	-152.7	0	0	0	0	112.7	E667 M671 M702 L703 L704	E667-S706 WeakPolarHBondContact OE1-CB 3.5Å; E667-S706 PolarHBondContact OE1-OG 2.81Å; M671-S706 PolarHBondContact SD-OG 2.97Å; M671-S706 VanDerWaalsContact SD-OG 3.35Å; M702-S706 PolarHBondContact O-N 2.99Å; L703-S706 WeakPolarHBondContact O-CB 3.4Å; L703-S706 PolarHBondContact O-N 3.38Å; L704-S706 VanDerWaalsContact C-N 3.32Å
707	E	85.3	Confident	93.4	Very high	127 Å²	127	28.9 Å²	28.9	59%	0.593	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-25.1	176.8	-69.6	167.3	179.4	0	0	111.8	F709 R756	E707-F709 VanDerWaalsContact C-N 3.3Å; E707-F709 PolarHBondContact O-N 2.8Å; E707-R756 IonicContact OE1-CZ 3.48Å; E707-R756 IonicContact OE1-NE 3.47Å; E707-R756 PolarHBondContact OE1-NE 2.93Å; E707-R756 IonicContact OE1-NH2 2.9Å; E707-R756 PolarHBondContact OE1-NH2 2.96Å; E707-R756 IonicContact OE2-CZ 3.85Å; E707-R756 IonicContact OE2-NH2 3.51Å; E707-R756 PolarHBondContact OE2-NH2 3.44Å
708	E	85.3	Confident	93.4	Very high	123 Å²	123	28.9 Å²	28.9	58%	0.575	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.7	-178.3	-80.1	-167.1	-129.5	0	0	114.6	M671 R675	M671-E708 HydrophobicContact CE-CB 3.96Å; M671-E708 HydrophobicContact CE-CG 4.46Å; M671-E708 HydrophobicContact SD-CB 3.76Å; R675-E708 IonicContact CZ-OE2 2.87Å; R675-E708 IonicContact NH1-OE2 3.69Å; R675-E708 IonicContact NH2-OE2 2.94Å; R675-E708 PolarHBondContact NH2-OE2 2.7Å
709	F	85.3	Confident	93.3	Very high	10 Å²	10	28.9 Å²	28.9	4%	0.044	15%	0.152	C	C	.	.			trans	-143	75.7	-173.7	-162.7	-98.8	0	0	0	112.8	M671 L674 R675 M688 E707 Q711 L712	M671-F709 HydrophobicContact CG-CB 4.15Å; M671-F709 HydrophobicContact SD-CB 3.86Å; L674-F709 HydrophobicContact CB-CD1 4.48Å; L674-F709 HydrophobicContact CB-CE1 3.91Å; L674-F709 HydrophobicContact CB-CE2 4.16Å; L674-F709 HydrophobicContact CB-CZ 3.74Å; L674-F709 HydrophobicContact CD1-CD1 4.09Å; L674-F709 HydrophobicContact CD1-CE1 3.96Å; L674-F709 HydrophobicContact CG-CE1 4.39Å; R675-F709 HydrophobicContact CG-CD2 4.04Å; R675-F709 HydrophobicContact CG-CE2 4Å; M688-F709 HydrophobicContact CE-CE1 4.08Å; M688-F709 HydrophobicContact CE-CZ 3.8Å; M688-F709 HydrophobicContact SD-CE1 4.27Å; M688-F709 HydrophobicContact SD-CZ 4.06Å; E707-F709 VanDerWaalsContact C-N 3.3Å; E707-F709 PolarHBondContact O-N 2.8Å; F709-Q711 HydrophobicContact CD1-CB 4.38Å; F709-Q711 HydrophobicContact CE1-CB 3.75Å; F709-Q711 HydrophobicContact CE2-CB 4.48Å; F709-Q711 HydrophobicContact CZ-CB 3.8Å; F709-Q711 HydrophobicContact CZ-CG 4.38Å; F709-Q711 PolarHBondContact O-N 2.93Å; F709-Q711 VanDerWaalsContact O-N 3.15Å; F709-L712 HydrophobicContact CD1-CD1 4.14Å; F709-L712 HydrophobicContact CD1-CG 3.86Å; F709-L712 HydrophobicContact CE1-CG 4Å
710	T	85.1	Confident	93.3	Very high	92 Å²	92	28.9 Å²	28.9	56%	0.564	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.3	-174.6	59.8	0	0	0	0	115.4	K713 K760	T710-K713 PolarHBondContact O-NZ 3.5Å; T710-K760 PolarHBondContact O-NZ 2.83Å
711	Q	90.4	Very high	93.3	Very high	57 Å²	57	28.9 Å²	28.9	27%	0.266	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-26.7	-177.9	-68.2	178.1	-21.5	0	0	113.4	M688 F709 K713	M688-Q711 HydrophobicContact SD-CB 3.71Å; F709-Q711 HydrophobicContact CD1-CB 4.38Å; F709-Q711 HydrophobicContact CE1-CB 3.75Å; F709-Q711 HydrophobicContact CE2-CB 4.48Å; F709-Q711 HydrophobicContact CZ-CB 3.8Å; F709-Q711 HydrophobicContact CZ-CG 4.38Å; F709-Q711 PolarHBondContact O-N 2.93Å; F709-Q711 VanDerWaalsContact O-N 3.15Å; Q711-K713 PolarHBondContact O-N 3.01Å
712	L	94.2	Very high	93.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	117.8	170.3	-72.5	171.2	0	0	0	109.9	L674 M688 V690 L703 L704 F709 K760	L674-L712 HydrophobicContact CD1-CD1 4.09Å; L674-L712 HydrophobicContact CD1-CD2 4.41Å; L674-L712 HydrophobicContact CD1-CG 4.41Å; M688-L712 HydrophobicContact CB-CD2 4.22Å; V690-L712 HydrophobicContact CB-CD1 4.5Å; V690-L712 HydrophobicContact CB-CD2 4.19Å; V690-L712 HydrophobicContact CG1-CD1 4.35Å; L703-L712 HydrophobicContact CB-CD1 4.1Å; L704-L712 HydrophobicContact CD1-CB 4.19Å; F709-L712 HydrophobicContact CD1-CD1 4.14Å; F709-L712 HydrophobicContact CD1-CG 3.86Å; F709-L712 HydrophobicContact CE1-CG 4Å; L712-K760 PolarHBondContact O-NZ 2.9Å
713	K	93.6	Very high	93.4	Very high	93 Å²	93	28.8 Å²	28.8	40%	0.404	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-35.2	-178.4	-59.7	-48.3	-176.3	-174.2	0	113.1	N686 M688 T710 Q711 Q761	N686-K713 VanDerWaalsContact O-CG 3.28Å; N686-K713 WeakPolarHBondContact O-CG 3.4Å; M688-K713 PolarHBondContact O-N 2.76Å; T710-K713 PolarHBondContact O-NZ 3.5Å; Q711-K713 PolarHBondContact O-N 3.01Å; K713-Q761 PolarHBondContact O-N 3.3Å
714	C	95.5	Very high	93.5	Very high	52 Å²	52	28.7 Å²	28.7	35%	0.351	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	159.4	-179.6	63.2	0	0	0	0	111.6	G689 V690 Q761	G689-C714 VanDerWaalsContact CA-O 3.24Å; G689-C714 WeakPolarHBondContact CA-O 3.3Å; V690-C714 PolarHBondContact N-O 2.78Å; C714-Q761 CarbonylContact C-O 3.44Å; C714-Q761 WeakPolarHBondContact CA-O 3.37Å; C714-Q761 HydrophobicContact CB-CB 3.83Å; C714-Q761 WeakPolarHBondContact CB-O 3.47Å
715	G	96.7	Very high	93.4	Very high	7 Å²	7	31.1 Å²	31.1	7%	0.072	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	154.4	166.7	0	0	0	0	0	112.9	V690 Q761 L763	V690-G715 CarbonylContact O-C 3.59Å; V690-G715 WeakPolarHBondContact O-CA 3.27Å; G715-Q761 PolarHBondContact N-O 2.71Å; G715-L763 PolarHBondContact O-N 2.74Å
716	A	97.5	Very high	93.6	Very high	20 Å²	20	31.9 Å²	31.9	17%	0.165	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.8	-178.7	0	0	0	0	0	110.8	V690 Y691 G692 L763	V690-A716 PolarHBondContact O-N 3.26Å; Y691-A716 WeakPolarHBondContact CA-O 3.35Å; Y691-A716 HydrophobicContact CD2-CB 4Å; G692-A716 PolarHBondContact N-O 3.32Å; G692-A716 VanDerWaalsContact N-O 3.13Å; A716-L763 CarbonylContact C-O 3.17Å; A716-L763 VanDerWaalsContact CA-O 3.29Å; A716-L763 WeakPolarHBondContact CA-O 3.33Å; A716-L763 HydrophobicContact CB-CB 4.27Å; A716-L763 HydrophobicContact CB-CD2 4.42Å
717	A	97.1	Very high	93.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.8	-178.3	0	0	0	0	0	110.6	G692 P720 F762 L763 I765	G692-A717 WeakPolarHBondContact O-CA 3.49Å; A717-P720 HydrophobicContact CB-CB 4.07Å; A717-P720 HydrophobicContact CB-CG 4.1Å; A717-F762 HydrophobicContact CB-CE2 3.82Å; A717-F762 HydrophobicContact CB-CZ 3.98Å; A717-L763 PolarHBondContact N-O 3Å; A717-I765 PolarHBondContact O-N 2.81Å
718	V	96.2	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.1	-180	-174.8	0	0	0	0	110	Y691 G692 K693 A694 P720 I765 M807	Y691-V718 HydrophobicContact CE2-CG2 3.63Å; Y691-V718 WeakPolarHBondContact OH-CG2 3.48Å; G692-V718 PolarHBondContact O-N 3.27Å; K693-V718 CarbonylContact C-O 3.5Å; K693-V718 VanDerWaalsContact CA-O 3.24Å; K693-V718 WeakPolarHBondContact CA-O 3.38Å; K693-V718 HydrophobicContact CB-CB 4.17Å; K693-V718 HydrophobicContact CD-CG1 4.47Å; K693-V718 HydrophobicContact CG-CB 4.12Å; K693-V718 HydrophobicContact CG-CG1 4.21Å; A694-V718 PolarHBondContact N-O 3.31Å; V718-P720 VanDerWaalsContact C-N 3.35Å; V718-I765 CarbonylContact C-O 3.59Å; V718-I765 WeakPolarHBondContact CA-O 3.3Å; V718-I765 HydrophobicContact CG1-CB 4.48Å; V718-I765 HydrophobicContact CG1-CG2 4.23Å; V718-I765 HydrophobicContact CG2-CB 4.17Å; V718-I765 HydrophobicContact CG2-CD1 3.82Å; V718-I765 HydrophobicContact CG2-CG2 4.48Å; V718-M807 HydrophobicContact CG1-CE 4.39Å; V718-M807 HydrophobicContact CG1-SD 4.11Å
719	S	95.9	Very high	94.9	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.109	C	C	.	.	S	Bend	trans	39.9	55.3	-173.9	-57.1	0	0	0	0	112.9	A694 I721 I765 P767 D770 V773 C803	A694-S719 VanDerWaalsContact CA-O 3.25Å; A694-S719 WeakPolarHBondContact CA-O 3.35Å; A694-S719 PolarHBondContact N-O 2.86Å; S719-I721 PolarHBondContact O-N 2.95Å; S719-I765 PolarHBondContact N-O 3.47Å; S719-P767 WeakPolarHBondContact OG-CD 3.19Å; S719-D770 WeakPolarHBondContact CB-OD2 3.39Å; S719-D770 PolarHBondContact OG-OD2 3.22Å; S719-V773 WeakPolarHBondContact O-CG1 3.41Å; S719-C803 PolarHBondContact OG-SG 2.98Å; S719-C803 VanDerWaalsContact OG-SG 3.34Å
720	P	96.8	Very high	95.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.			trans	-67.2	134.7	-171.6	24.9	-32.7	0	0	0	112.3	A717 V718 T722 I764	A717-P720 HydrophobicContact CB-CB 4.07Å; A717-P720 HydrophobicContact CB-CG 4.1Å; V718-P720 VanDerWaalsContact C-N 3.35Å; P720-T722 HydrophobicContact CB-CG2 4.37Å; P720-T722 HydrophobicContact CG-CG2 4.34Å; P720-T722 PolarHBondContact O-N 3.42Å; P720-I764 HydrophobicContact CG-CG2 4.2Å
721	I	97.4	Very high	96	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	8%	0.082	C	C	.	.			trans	-71.9	113.3	164.7	-60	172.6	0	0	0	107	A694 Y698 S719 F724 Y727 V773	A694-I721 PolarHBondContact O-N 2.93Å; Y698-I721 VanDerWaalsContact CB-O 3.26Å; Y698-I721 WeakPolarHBondContact CB-O 3.35Å; Y698-I721 VanDerWaalsContact CD2-O 3.3Å; Y698-I721 WeakPolarHBondContact CD2-O 3.47Å; S719-I721 PolarHBondContact O-N 2.95Å; I721-F724 HydrophobicContact CG2-CD1 3.96Å; I721-F724 HydrophobicContact CG2-CE1 3.74Å; I721-F724 HydrophobicContact CG2-CZ 4.21Å; I721-Y727 HydrophobicContact CD1-CD1 4.37Å; I721-Y727 HydrophobicContact CD1-CD2 3.87Å; I721-Y727 HydrophobicContact CD1-CE1 4.3Å; I721-Y727 HydrophobicContact CD1-CE2 3.77Å; I721-Y727 HydrophobicContact CD1-CG 4.19Å; I721-Y727 HydrophobicContact CG1-CD2 3.98Å; I721-Y727 HydrophobicContact CG1-CE2 4.12Å; I721-Y727 HydrophobicContact CG2-CG 4.47Å; I721-V773 HydrophobicContact CD1-CG2 4.33Å; I721-V773 HydrophobicContact CG1-CB 4.49Å; I721-V773 HydrophobicContact CG1-CG1 3.88Å; I721-V773 HydrophobicContact CG1-CG2 3.73Å
722	T	97.1	Very high	96.3	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.018	7%	0.069	C	C	.	.			trans	-101.3	-19.6	-176.2	57	0	0	0	0	113.7	P720 L750 H777 F781	P720-T722 HydrophobicContact CB-CG2 4.37Å; P720-T722 HydrophobicContact CG-CG2 4.34Å; P720-T722 PolarHBondContact O-N 3.42Å; T722-L750 HydrophobicContact CG2-CD1 4.18Å; T722-L750 PolarHBondContact O-N 2.85Å; T722-H777 HydrophobicContact CG2-CB 4.3Å; T722-H777 WeakPolarHBondContact CG2-O 3.34Å; T722-H777 PolarHBondContact N-ND1 2.83Å; T722-H777 VanDerWaalsContact OG1-C 3.24Å; T722-H777 VanDerWaalsContact OG1-CA 3.27Å; T722-H777 WeakPolarHBondContact OG1-CA 3.49Å; T722-H777 WeakPolarHBondContact OG1-CB 3.42Å; T722-H777 PolarHBondContact OG1-ND1 3.14Å; T722-H777 PolarHBondContact OG1-O 2.87Å; T722-F781 HydrophobicContact CG2-CB 3.58Å; T722-F781 HydrophobicContact CG2-CD1 3.95Å; T722-F781 HydrophobicContact CG2-CG 3.84Å
723	D	96.8	Very high	96.4	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.011	7%	0.071	C	C	.	.			trans	-158.1	111.7	-170.6	-176.1	-4.5	0	0	0	109.2	E725 L726 N749 H777 K780	D723-E725 PolarHBondContact O-N 3.29Å; D723-E725 VanDerWaalsContact O-N 3.14Å; D723-E725 WeakPolarHBondContact OD1-CB 3.27Å; D723-E725 PolarHBondContact OD1-N 3.39Å; D723-L726 HydrophobicContact CB-CD1 4.22Å; D723-L726 HydrophobicContact CB-CG 4.16Å; D723-L726 PolarHBondContact O-N 2.88Å; D723-N749 PolarHBondContact OD1-ND2 3Å; D723-N749 PolarHBondContact OD2-ND2 2.72Å; D723-H777 PolarHBondContact O-CE1 2.95Å; D723-K780 IonicContact OD2-NZ 2.76Å; D723-K780 PolarHBondContact OD2-NZ 3.05Å
724	F	96.3	Very high	96.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.8	-178.9	-63.3	-78.7	0	0	0	113.4	L662 Y695 Y698 I721 L726 F731 S732 L736 Y745 A748	L662-F724 HydrophobicContact CD1-CD1 4.3Å; L662-F724 HydrophobicContact CD1-CE1 3.95Å; L662-F724 HydrophobicContact CD1-CE2 4.36Å; L662-F724 HydrophobicContact CD1-CZ 4Å; Y695-F724 AromaticContact CD2-CE1 4Å; Y695-F724 HydrophobicContact CD2-CE1 4Å; Y695-F724 HydrophobicContact CD2-CZ 4.04Å; Y695-F724 AromaticContact CE2-CE1 3.88Å; Y695-F724 HydrophobicContact CE2-CE1 3.88Å; Y695-F724 AromaticContact CE2-CZ 3.63Å; Y695-F724 HydrophobicContact CE2-CZ 3.63Å; Y698-F724 HydrophobicContact CD1-CE2 4.34Å; Y698-F724 AromaticContact CD1-CZ 3.92Å; Y698-F724 HydrophobicContact CD1-CZ 3.92Å; Y698-F724 HydrophobicContact CD2-CE2 4.23Å; Y698-F724 HydrophobicContact CD2-CZ 4.29Å; Y698-F724 AromaticContact CE1-CE2 3.93Å; Y698-F724 HydrophobicContact CE1-CE2 3.93Å; Y698-F724 AromaticContact CE1-CZ 3.89Å; Y698-F724 HydrophobicContact CE1-CZ 3.89Å; Y698-F724 AromaticContact CE2-CE2 3.83Å; Y698-F724 HydrophobicContact CE2-CE2 3.83Å; Y698-F724 HydrophobicContact CE2-CZ 4.28Å; Y698-F724 HydrophobicContact CG-CE2 4.48Å; Y698-F724 HydrophobicContact CG-CZ 4.12Å; Y698-F724 AromaticContact CZ-CE2 3.66Å; I721-F724 HydrophobicContact CG2-CD1 3.96Å; I721-F724 HydrophobicContact CG2-CE1 3.74Å; I721-F724 HydrophobicContact CG2-CZ 4.21Å; F724-L726 VanDerWaalsContact C-N 3.26Å; F724-F731 HydrophobicContact CD1-CE1 4.33Å; F724-F731 HydrophobicContact CE1-CE1 4.03Å; F724-S732 PolarHBondContact O-OG 2.93Å; F724-L736 HydrophobicContact CB-CD1 3.56Å; F724-L736 HydrophobicContact CD2-CD1 3.88Å; F724-L736 HydrophobicContact CG-CD1 3.74Å; F724-Y745 HydrophobicContact CB-CD1 4Å; F724-Y745 HydrophobicContact CB-CE1 4.05Å; F724-A748 HydrophobicContact CD2-CB 3.67Å; F724-A748 HydrophobicContact CE2-CB 3.9Å
725	E	95.4	Very high	96.5	Very high	53 Å²	53	8.5 Å²	8.5	25%	0.248	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.1	168.5	-62.6	-157	177.8	0	0	113.9	V330 D723 K739 Y745	V330-E725 HydrophobicContact CG1-CB 4.31Å; V330-E725 HydrophobicContact CG1-CG 4.46Å; D723-E725 PolarHBondContact O-N 3.29Å; D723-E725 VanDerWaalsContact O-N 3.14Å; D723-E725 WeakPolarHBondContact OD1-CB 3.27Å; D723-E725 PolarHBondContact OD1-N 3.39Å; E725-K739 VanDerWaalsContact CD-NZ 3.35Å; E725-K739 VanDerWaalsContact OE1-CE 3.31Å; E725-K739 WeakPolarHBondContact OE1-CE 3.38Å; E725-K739 IonicContact OE1-NZ 3.56Å; E725-K739 WeakPolarHBondContact OE2-CE 3.36Å; E725-K739 IonicContact OE2-NZ 3.58Å; E725-K739 PolarHBondContact OE2-NZ 3.26Å; E725-Y745 HydrophobicContact CG-CD1 3.8Å; E725-Y745 HydrophobicContact CG-CG 4.12Å
726	L	96.1	Very high	96.4	Very high	19 Å²	19	8.3 Å²	8.3	10%	0.099	4%	0.041	C	C	.	.	S	Bend	trans	-95	-11.7	178.2	-56	-178.2	0	0	0	112.9	K329 D723 F724 Q776 K780	K329-L726 WeakPolarHBondContact CE-O 3.22Å; D723-L726 HydrophobicContact CB-CD1 4.22Å; D723-L726 HydrophobicContact CB-CG 4.16Å; D723-L726 PolarHBondContact O-N 2.88Å; F724-L726 VanDerWaalsContact C-N 3.26Å; L726-Q776 HydrophobicContact CD1-CG 4.09Å; L726-K780 HydrophobicContact CD1-CD 3.87Å
727	Y	96.8	Very high	96.2	Very high	5 Å²	5	7.5 Å²	7.5	2%	0.02	4%	0.035	C	C	.	.	S	Bend	trans	-91.7	168.2	-177.9	-158.4	-103.7	0	0	0	112.1	E279 V330 I721 F731 K772 V773 H777	E279-Y727 PolarHBondContact OE1-OH 2.84Å; V330-Y727 PolarHBondContact N-O 2.92Å; I721-Y727 HydrophobicContact CD1-CD1 4.37Å; I721-Y727 HydrophobicContact CD1-CD2 3.87Å; I721-Y727 HydrophobicContact CD1-CE1 4.3Å; I721-Y727 HydrophobicContact CD1-CE2 3.77Å; I721-Y727 HydrophobicContact CD1-CG 4.19Å; I721-Y727 HydrophobicContact CG1-CD2 3.98Å; I721-Y727 HydrophobicContact CG1-CE2 4.12Å; I721-Y727 HydrophobicContact CG2-CG 4.47Å; Y727-F731 HydrophobicContact CD1-CB 3.69Å; Y727-F731 AromaticContact CD1-CD1 3.63Å; Y727-F731 HydrophobicContact CD1-CD1 3.63Å; Y727-F731 HydrophobicContact CD1-CE1 4.41Å; Y727-F731 AromaticContact CD1-CG 3.71Å; Y727-F731 HydrophobicContact CD1-CG 3.71Å; Y727-F731 HydrophobicContact CE1-CB 3.48Å; Y727-F731 VanDerWaalsContact CE1-CB 3.48Å; Y727-F731 AromaticContact CE1-CD1 3.75Å; Y727-F731 HydrophobicContact CE1-CD1 3.75Å; Y727-F731 AromaticContact CE1-CD2 3.82Å; Y727-F731 HydrophobicContact CE1-CD2 3.82Å; Y727-F731 HydrophobicContact CE1-CE1 4.44Å; Y727-F731 HydrophobicContact CE1-CE2 4.48Å; Y727-F731 AromaticContact CE1-CG 3.41Å; Y727-F731 HydrophobicContact CE1-CG 3.41Å; Y727-F731 VanDerWaalsContact CE1-CG 3.41Å; Y727-K772 WeakPolarHBondContact CE2-O 3.34Å; Y727-V773 HydrophobicContact CD2-CG2 4.47Å; Y727-V773 HydrophobicContact CE2-CG2 3.84Å; Y727-H777 AromaticContact CD2-NE2 3.9Å
728	A	96.4	Very high	95.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-59.2	140.4	-171.5	0	0	0	0	0	114	W274 L275 E279 Y327 A730 F731 S732	W274-A728 HydrophobicContact CH2-CB 3.68Å; W274-A728 HydrophobicContact CZ3-CB 3.6Å; L275-A728 HydrophobicContact CD1-CB 4.2Å; E279-A728 HydrophobicContact CG-CB 4.29Å; Y327-A728 HydrophobicContact CE1-CB 4.39Å; Y327-A728 PolarHBondContact OH-N 3.27Å; Y327-A728 VanDerWaalsContact OH-N 3.12Å; A728-A730 PolarHBondContact O-N 3.16Å; A728-F731 PolarHBondContact O-N 3.04Å; A728-S732 PolarHBondContact O-N 2.99Å
729	S	96.8	Very high	95.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-52.1	-50.7	179.9	62.5	0	0	0	0	112.3	P328 N334 F731 S732 E733	P328-S729 PolarHBondContact O-N 3.48Å; N334-S729 WeakPolarHBondContact OD1-CB 3.44Å; N334-S729 PolarHBondContact OD1-OG 3.15Å; S729-F731 VanDerWaalsContact C-N 3.29Å; S729-F731 PolarHBondContact O-N 2.95Å; S729-S732 PolarHBondContact O-N 2.89Å; S729-E733 VanDerWaalsContact O-CB 3.22Å; S729-E733 WeakPolarHBondContact O-CB 3.31Å; S729-E733 VanDerWaalsContact O-CG 3.25Å; S729-E733 WeakPolarHBondContact O-CG 3.33Å; S729-E733 PolarHBondContact O-N 2.58Å
730	A	96.7	Very high	94.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62	-31.4	-177.6	0	0	0	0	0	113.7	L275 E279 I280 Q387 A728 R734	L275-A730 HydrophobicContact CD1-CB 3.76Å; L275-A730 HydrophobicContact CD2-CB 4.44Å; L275-A730 HydrophobicContact CG-CB 4.3Å; E279-A730 HydrophobicContact CB-CB 3.97Å; I280-A730 HydrophobicContact CD1-CB 3.68Å; Q387-A730 PolarHBondContact NE2-O 3.24Å; A728-A730 PolarHBondContact O-N 3.16Å; A730-R734 VanDerWaalsContact O-CB 3.32Å; A730-R734 WeakPolarHBondContact O-CB 3.44Å
731	F	96.4	Very high	94	Very high	11 Å²	11	22.4 Å²	22.4	5%	0.048	12%	0.12	C	C	.	.	H	α-helix	trans	-81.3	-54.3	175.7	-175.3	-79.2	0	0	0	111.1	T613 Y695 F724 Y727 A728 S729 E733 R734 Y735	T613-F731 HydrophobicContact CG2-CE2 4.35Å; Y695-F731 HydrophobicContact CD2-CE1 4.3Å; Y695-F731 AromaticContact CD2-CZ 4Å; Y695-F731 HydrophobicContact CD2-CZ 4Å; F724-F731 HydrophobicContact CD1-CE1 4.33Å; F724-F731 HydrophobicContact CE1-CE1 4.03Å; Y727-F731 HydrophobicContact CD1-CB 3.69Å; Y727-F731 AromaticContact CD1-CD1 3.63Å; Y727-F731 HydrophobicContact CD1-CD1 3.63Å; Y727-F731 HydrophobicContact CD1-CE1 4.41Å; Y727-F731 AromaticContact CD1-CG 3.71Å; Y727-F731 HydrophobicContact CD1-CG 3.71Å; Y727-F731 HydrophobicContact CE1-CB 3.48Å; Y727-F731 VanDerWaalsContact CE1-CB 3.48Å; Y727-F731 AromaticContact CE1-CD1 3.75Å; Y727-F731 HydrophobicContact CE1-CD1 3.75Å; Y727-F731 AromaticContact CE1-CD2 3.82Å; Y727-F731 HydrophobicContact CE1-CD2 3.82Å; Y727-F731 HydrophobicContact CE1-CE1 4.44Å; Y727-F731 HydrophobicContact CE1-CE2 4.48Å; Y727-F731 AromaticContact CE1-CG 3.41Å; Y727-F731 HydrophobicContact CE1-CG 3.41Å; Y727-F731 VanDerWaalsContact CE1-CG 3.41Å; A728-F731 PolarHBondContact O-N 3.04Å; S729-F731 VanDerWaalsContact C-N 3.29Å; S729-F731 PolarHBondContact O-N 2.95Å; F731-E733 PolarHBondContact O-N 3.25Å; F731-R734 WeakPolarHBondContact O-CB 3.29Å; F731-R734 PolarHBondContact O-N 2.84Å; F731-Y735 AromaticContact CD1-CD2 3.89Å; F731-Y735 HydrophobicContact CD1-CD2 3.89Å; F731-Y735 AromaticContact CD1-CE2 4Å; F731-Y735 HydrophobicContact CD1-CE2 4Å; F731-Y735 AromaticContact CD2-CE2 3.83Å; F731-Y735 HydrophobicContact CD2-CE2 3.83Å; F731-Y735 AromaticContact CE1-CD2 3.74Å; F731-Y735 HydrophobicContact CE1-CD2 3.74Å; F731-Y735 AromaticContact CE1-CE2 3.84Å; F731-Y735 HydrophobicContact CE1-CE2 3.84Å; F731-Y735 HydrophobicContact CE2-CD2 4.42Å; F731-Y735 AromaticContact CE2-CE2 3.67Å; F731-Y735 HydrophobicContact CE2-CE2 3.67Å; F731-Y735 HydrophobicContact CG-CD2 4.27Å; F731-Y735 AromaticContact CG-CE2 3.98Å; F731-Y735 HydrophobicContact CG-CE2 3.98Å; F731-Y735 HydrophobicContact CZ-CD2 4.03Å; F731-Y735 AromaticContact CZ-CE2 3.67Å; F731-Y735 HydrophobicContact CZ-CE2 3.67Å; F731-Y735 WeakPolarHBondContact O-CD2 3.34Å; F731-Y735 PolarHBondContact O-N 2.91Å
732	S	96.3	Very high	93.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-43.8	-174.3	-73.9	0	0	0	0	112	F724 A728 S729 R734 Y735 L736 Y745	F724-S732 PolarHBondContact O-OG 2.93Å; A728-S732 PolarHBondContact O-N 2.99Å; S729-S732 PolarHBondContact O-N 2.89Å; S732-R734 PolarHBondContact O-N 2.67Å; S732-Y735 PolarHBondContact O-N 2.88Å; S732-L736 WeakPolarHBondContact O-CB 3.26Å; S732-L736 PolarHBondContact O-N 3.35Å; S732-Y745 PolarHBondContact O-OH 2.91Å
733	E	96	Very high	93.1	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-70.4	-32.1	-177.9	-62.8	177	-165.6	0	0	112.6	V330 G331 R385 S729 F731 Y735 G737	V330-E733 HydrophobicContact CG2-CG 3.45Å; V330-E733 VanDerWaalsContact CG2-CG 3.45Å; G331-E733 PolarHBondContact N-OE1 3.48Å; R385-E733 WeakPolarHBondContact CG-OE2 3.36Å; R385-E733 IonicContact CZ-OE1 2.65Å; R385-E733 IonicContact CZ-OE2 2.77Å; R385-E733 IonicContact NE-OE1 3.84Å; R385-E733 IonicContact NE-OE2 2.87Å; R385-E733 PolarHBondContact NE-OE2 3Å; R385-E733 IonicContact NH2-OE1 2.66Å; R385-E733 PolarHBondContact NH2-OE1 3Å; R385-E733 IonicContact NH2-OE2 2.89Å; S729-E733 VanDerWaalsContact O-CB 3.22Å; S729-E733 WeakPolarHBondContact O-CB 3.31Å; S729-E733 VanDerWaalsContact O-CG 3.25Å; S729-E733 WeakPolarHBondContact O-CG 3.33Å; S729-E733 PolarHBondContact O-N 2.58Å; F731-E733 PolarHBondContact O-N 3.25Å; E733-Y735 VanDerWaalsContact C-N 3.33Å; E733-Y735 PolarHBondContact O-N 2.8Å; E733-G737 WeakPolarHBondContact O-CA 3.48Å; E733-G737 PolarHBondContact O-N 3.3Å
734	R	95.8	Very high	93	Very high	40 Å²	40	33.9 Å²	33.9	15%	0.151	17%	0.174	C	C	.	.	H	α-helix	trans	-56.4	-46.4	175	-176.2	-175.4	-68.4	157.2	2.9	111.2	E279 Q387 W413 A730 F731 S732	E279-R734 PolarHBondContact O-NH2 2.84Å; E279-R734 IonicContact OE2-NH1 3.01Å; Q387-R734 VanDerWaalsContact OE1-CZ 3.26Å; W413-R734 HydrophobicContact CB-CG 3.95Å; W413-R734 HydrophobicContact CD2-CG 4.41Å; W413-R734 HydrophobicContact CG-CG 3.78Å; A730-R734 VanDerWaalsContact O-CB 3.32Å; A730-R734 WeakPolarHBondContact O-CB 3.44Å; F731-R734 WeakPolarHBondContact O-CB 3.29Å; F731-R734 PolarHBondContact O-N 2.84Å; S732-R734 PolarHBondContact O-N 2.67Å
735	Y	95.3	Very high	92.9	Very high	8 Å²	8	33.9 Å²	33.9	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-99.5	-37.9	-171.9	-55.4	-60.3	0	0	0	114.4	W413 P614 R659 R660 L662 F731 S732 E733	W413-Y735 HydrophobicContact CD2-CD1 4.3Å; W413-Y735 HydrophobicContact CD2-CE1 4.37Å; W413-Y735 AromaticContact CE2-CE1 3.74Å; W413-Y735 HydrophobicContact CE3-CD1 4.35Å; W413-Y735 AromaticContact CH2-CD1 3.9Å; W413-Y735 HydrophobicContact CH2-CD1 3.9Å; W413-Y735 HydrophobicContact CH2-CE1 4.08Å; W413-Y735 AromaticContact CZ2-CD1 3.87Å; W413-Y735 HydrophobicContact CZ2-CD1 3.87Å; W413-Y735 AromaticContact CZ2-CE1 3.59Å; W413-Y735 HydrophobicContact CZ2-CE1 3.59Å; W413-Y735 HydrophobicContact CZ3-CD1 4.16Å; P614-Y735 HydrophobicContact CB-CD1 4.08Å; P614-Y735 HydrophobicContact CB-CE1 3.54Å; P614-Y735 HydrophobicContact CG-CD1 4.26Å; P614-Y735 HydrophobicContact CG-CE1 4.07Å; P614-Y735 PolarHBondContact O-OH 3.1Å; P614-Y735 VanDerWaalsContact O-OH 3.11Å; R659-Y735 WeakPolarHBondContact CD-O 3.33Å; R659-Y735 PolarHBondContact NH1-O 2.74Å; R660-Y735 PolarHBondContact N-O 3.44Å; L662-Y735 HydrophobicContact CD1-CD2 4.49Å; L662-Y735 HydrophobicContact CD1-CG 4.41Å; L662-Y735 HydrophobicContact CD2-CG 4.24Å; F731-Y735 AromaticContact CD1-CD2 3.89Å; F731-Y735 HydrophobicContact CD1-CD2 3.89Å; F731-Y735 AromaticContact CD1-CE2 4Å; F731-Y735 HydrophobicContact CD1-CE2 4Å; F731-Y735 AromaticContact CD2-CE2 3.83Å; F731-Y735 HydrophobicContact CD2-CE2 3.83Å; F731-Y735 AromaticContact CE1-CD2 3.74Å; F731-Y735 HydrophobicContact CE1-CD2 3.74Å; F731-Y735 AromaticContact CE1-CE2 3.84Å; F731-Y735 HydrophobicContact CE1-CE2 3.84Å; F731-Y735 HydrophobicContact CE2-CD2 4.42Å; F731-Y735 AromaticContact CE2-CE2 3.67Å; F731-Y735 HydrophobicContact CE2-CE2 3.67Å; F731-Y735 HydrophobicContact CG-CD2 4.27Å; F731-Y735 AromaticContact CG-CE2 3.98Å; F731-Y735 HydrophobicContact CG-CE2 3.98Å; F731-Y735 HydrophobicContact CZ-CD2 4.03Å; F731-Y735 AromaticContact CZ-CE2 3.67Å; F731-Y735 HydrophobicContact CZ-CE2 3.67Å; F731-Y735 WeakPolarHBondContact O-CD2 3.34Å; F731-Y735 PolarHBondContact O-N 2.91Å; S732-Y735 PolarHBondContact O-N 2.88Å; E733-Y735 VanDerWaalsContact C-N 3.33Å; E733-Y735 PolarHBondContact O-N 2.8Å
736	L	95.4	Very high	92.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-98.6	-20	-179	-59.3	-175.5	0	0	0	113.1	L662 F724 S732 V744 Y745 A748	L662-L736 HydrophobicContact CB-CD2 4.02Å; L662-L736 HydrophobicContact CD1-CD1 4.37Å; L662-L736 HydrophobicContact CD1-CD2 3.72Å; L662-L736 HydrophobicContact CD1-CG 3.88Å; L662-L736 HydrophobicContact CG-CD2 3.67Å; L662-L736 HydrophobicContact CG-CG 4.38Å; F724-L736 HydrophobicContact CB-CD1 3.56Å; F724-L736 HydrophobicContact CD2-CD1 3.88Å; F724-L736 HydrophobicContact CG-CD1 3.74Å; S732-L736 WeakPolarHBondContact O-CB 3.26Å; S732-L736 PolarHBondContact O-N 3.35Å; L736-V744 HydrophobicContact CB-CG1 3.99Å; L736-V744 HydrophobicContact CD2-CG1 3.84Å; L736-V744 HydrophobicContact CG-CG1 4.39Å; L736-Y745 HydrophobicContact CB-CE1 4.08Å; L736-Y745 HydrophobicContact CB-CE2 3.86Å; L736-Y745 HydrophobicContact CD1-CD1 3.77Å; L736-Y745 HydrophobicContact CD1-CE1 3.67Å; L736-Y745 HydrophobicContact CD1-CG 4.28Å; L736-Y745 HydrophobicContact CG-CE1 4.48Å; L736-A748 HydrophobicContact CD1-CB 4.19Å
737	G	93.3	Very high	92.6	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.031	21%	0.21	C	C	.	.			trans	93.2	176	-178.1	0	0	0	0	0	112.2	E733 Y745	E733-G737 WeakPolarHBondContact O-CA 3.48Å; E733-G737 PolarHBondContact O-N 3.3Å; G737-Y745 PolarHBondContact O-OH 3.27Å
738	P	88.9	Confident	92.4	Very high	71 Å²	71	39.2 Å²	39.2	46%	0.461	21%	0.211	S	C	.	.	S	Bend	trans	-58.5	153.2	176.4	26.8	-35.5	0	0	0	111	T740	P738-T740 PolarHBondContact O-N 3.32Å
739	K	85.4	Confident	92.3	Very high	73 Å²	73	40.4 Å²	40.4	32%	0.317	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	13.3	-176.2	-150.1	-170.8	-177.7	165.7	0	115.1	V330 E725 D741	V330-K739 HydrophobicContact CG1-CD 4.11Å; V330-K739 HydrophobicContact CG1-CG 4.32Å; V330-K739 HydrophobicContact CG2-CB 4.39Å; E725-K739 VanDerWaalsContact CD-NZ 3.35Å; E725-K739 VanDerWaalsContact OE1-CE 3.31Å; E725-K739 WeakPolarHBondContact OE1-CE 3.38Å; E725-K739 IonicContact OE1-NZ 3.56Å; E725-K739 WeakPolarHBondContact OE2-CE 3.36Å; E725-K739 IonicContact OE2-NZ 3.58Å; E725-K739 PolarHBondContact OE2-NZ 3.26Å; K739-D741 VanDerWaalsContact C-N 3.3Å; K739-D741 PolarHBondContact O-N 2.93Å
740	T	83.8	Confident	92.3	Very high	129 Å²	129	40.4 Å²	40.4	79%	0.791	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-21.9	177.8	54.2	0	0	0	0	113.4	P738	P738-T740 PolarHBondContact O-N 3.32Å
741	D	81.4	Confident	92.1	Very high	41 Å²	41	41.5 Å²	41.5	22%	0.219	23%	0.226	C	C	.	.			trans	-115.8	82.3	172	-176.6	6	0	0	0	110.8	R660 K739 R743 V744	R660-D741 IonicContact CZ-OD2 2.81Å; R660-D741 IonicContact NH2-OD2 3.57Å; R660-D741 PolarHBondContact NH2-OD2 3.3Å; K739-D741 VanDerWaalsContact C-N 3.3Å; K739-D741 PolarHBondContact O-N 2.93Å; D741-R743 PolarHBondContact O-N 3.19Å; D741-R743 VanDerWaalsContact O-N 3.08Å; D741-R743 VanDerWaalsContact OD1-CB 3.26Å; D741-R743 WeakPolarHBondContact OD1-CB 3.24Å; D741-R743 PolarHBondContact OD1-N 3.22Å; D741-R743 IonicContact OD2-NH2 3.56Å; D741-V744 PolarHBondContact O-N 3.07Å; D741-V744 WeakPolarHBondContact OD2-CG2 3.3Å
742	S	86.1	Confident	91.8	Very high	68 Å²	68	46 Å²	46	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-58.4	-20	179.1	-44.6	0	0	0	0	113.7	V744 Y745 A746	S742-V744 VanDerWaalsContact C-N 3.31Å; S742-V744 PolarHBondContact O-N 2.88Å; S742-Y745 PolarHBondContact O-N 2.78Å; S742-A746 WeakPolarHBondContact O-CB 3.35Å; S742-A746 PolarHBondContact O-N 2.81Å
743	R	90.8	Very high	91.6	Very high	166 Å²	166	47.3 Å²	47.3	63%	0.626	25%	0.253	S	S	*	.	H	α-helix	trans	-64.2	-36.7	178.8	-177.1	-176.2	56.7	139.3	1.7	111.7	D741 Y745 A746 M747	D741-R743 PolarHBondContact O-N 3.19Å; D741-R743 VanDerWaalsContact O-N 3.08Å; D741-R743 VanDerWaalsContact OD1-CB 3.26Å; D741-R743 WeakPolarHBondContact OD1-CB 3.24Å; D741-R743 PolarHBondContact OD1-N 3.22Å; D741-R743 IonicContact OD2-NH2 3.56Å; R743-Y745 VanDerWaalsContact C-N 3.33Å; R743-A746 PolarHBondContact O-N 3.46Å; R743-M747 HydrophobicContact CG-CG 4.46Å; R743-M747 HydrophobicContact CG-SD 4.24Å; R743-M747 WeakPolarHBondContact O-CB 3.4Å; R743-M747 VanDerWaalsContact O-CG 3.26Å; R743-M747 WeakPolarHBondContact O-CG 3.26Å; R743-M747 PolarHBondContact O-N 2.88Å
744	V	93.1	Very high	91.4	Very high	13 Å²	13	47 Å²	47	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-40.8	178.5	174.7	0	0	0	0	110.6	R660 L736 D741 S742 A748	R660-V744 HydrophobicContact CB-CG1 4.05Å; L736-V744 HydrophobicContact CB-CG1 3.99Å; L736-V744 HydrophobicContact CD2-CG1 3.84Å; L736-V744 HydrophobicContact CG-CG1 4.39Å; D741-V744 PolarHBondContact O-N 3.07Å; D741-V744 WeakPolarHBondContact OD2-CG2 3.3Å; S742-V744 VanDerWaalsContact C-N 3.31Å; S742-V744 PolarHBondContact O-N 2.88Å; V744-A748 PolarHBondContact O-N 2.93Å
745	Y	94.5	Very high	91	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-46.5	175.4	-75.8	-91.3	0	0	0	111.8	V330 F724 E725 S732 L736 G737 S742 R743 M747 A748 N749	V330-Y745 HydrophobicContact CB-CE1 4.3Å; V330-Y745 HydrophobicContact CG1-CD1 4.43Å; V330-Y745 HydrophobicContact CG1-CE1 3.9Å; V330-Y745 HydrophobicContact CG2-CE1 3.87Å; V330-Y745 WeakPolarHBondContact CG2-OH 3.47Å; F724-Y745 HydrophobicContact CB-CD1 4Å; F724-Y745 HydrophobicContact CB-CE1 4.05Å; E725-Y745 HydrophobicContact CG-CD1 3.8Å; E725-Y745 HydrophobicContact CG-CG 4.12Å; S732-Y745 PolarHBondContact O-OH 2.91Å; L736-Y745 HydrophobicContact CB-CE1 4.08Å; L736-Y745 HydrophobicContact CB-CE2 3.86Å; L736-Y745 HydrophobicContact CD1-CD1 3.77Å; L736-Y745 HydrophobicContact CD1-CE1 3.67Å; L736-Y745 HydrophobicContact CD1-CG 4.28Å; L736-Y745 HydrophobicContact CG-CE1 4.48Å; G737-Y745 PolarHBondContact O-OH 3.27Å; S742-Y745 PolarHBondContact O-N 2.78Å; R743-Y745 VanDerWaalsContact C-N 3.33Å; Y745-M747 VanDerWaalsContact C-N 3.33Å; Y745-M747 PolarHBondContact O-N 2.75Å; Y745-A748 PolarHBondContact O-N 2.85Å; Y745-A748 VanDerWaalsContact O-N 3.09Å; Y745-N749 PolarHBondContact O-N 2.89Å; Y745-N749 VanDerWaalsContact O-N 3.09Å
746	A	93.2	Very high	90.8	Very high	61 Å²	61	50.7 Å²	50.7	50%	0.504	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-38.9	176.8	0	0	0	0	0	113	S742 R743 A748 N749	S742-A746 WeakPolarHBondContact O-CB 3.35Å; S742-A746 PolarHBondContact O-N 2.81Å; R743-A746 PolarHBondContact O-N 3.46Å; A746-A748 VanDerWaalsContact C-N 3.31Å; A746-A748 PolarHBondContact O-N 3Å; A746-N749 PolarHBondContact O-N 3.11Å
747	M	91.6	Very high	90.5	Very high	122 Å²	122	50.5 Å²	50.5	60%	0.601	27%	0.274	S	S	*	.	H	α-helix	trans	-67.4	-29.8	175.3	-74.7	-179.4	69.3	0	0	113.2	R743 Y745	R743-M747 HydrophobicContact CG-CG 4.46Å; R743-M747 HydrophobicContact CG-SD 4.24Å; R743-M747 WeakPolarHBondContact O-CB 3.4Å; R743-M747 VanDerWaalsContact O-CG 3.26Å; R743-M747 WeakPolarHBondContact O-CG 3.26Å; R743-M747 PolarHBondContact O-N 2.88Å; Y745-M747 VanDerWaalsContact C-N 3.33Å; Y745-M747 PolarHBondContact O-N 2.75Å
748	A	93.4	Very high	90.2	Very high	5 Å²	5	54.3 Å²	54.3	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-86.6	-10.6	179	0	0	0	0	0	113.3	Y698 F724 L736 V744 Y745 A746	Y698-A748 WeakPolarHBondContact CE2-O 3.34Å; Y698-A748 PolarHBondContact OH-O 2.95Å; F724-A748 HydrophobicContact CD2-CB 3.67Å; F724-A748 HydrophobicContact CE2-CB 3.9Å; L736-A748 HydrophobicContact CD1-CB 4.19Å; V744-A748 PolarHBondContact O-N 2.93Å; Y745-A748 PolarHBondContact O-N 2.85Å; Y745-A748 VanDerWaalsContact O-N 3.09Å; A746-A748 VanDerWaalsContact C-N 3.31Å; A746-A748 PolarHBondContact O-N 3Å
749	N	95.3	Very high	90	Very high	26 Å²	26	59.7 Å²	59.7	14%	0.139	31%	0.312	C	S	.	.			trans	-77.5	131.8	-177.5	-173.7	-40.6	0	0	0	112.2	D723 Y745 A746 A751 H752	D723-N749 PolarHBondContact OD1-ND2 3Å; D723-N749 PolarHBondContact OD2-ND2 2.72Å; Y745-N749 PolarHBondContact O-N 2.89Å; Y745-N749 VanDerWaalsContact O-N 3.09Å; A746-N749 PolarHBondContact O-N 3.11Å; N749-A751 VanDerWaalsContact C-N 3.28Å; N749-A751 PolarHBondContact O-N 3.09Å; N749-A751 VanDerWaalsContact OD1-CB 3.25Å; N749-A751 WeakPolarHBondContact OD1-CB 3.44Å; N749-A751 PolarHBondContact OD1-N 2.82Å; N749-H752 PolarHBondContact O-CE1 3.17Å; N749-H752 VanDerWaalsContact O-CE1 3.25Å; N749-H752 PolarHBondContact O-ND1 3.41Å
750	L	95.2	Very high	90.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-69.4	-16.3	-177.9	-67.6	-175.3	0	0	0	115.1	Y698 T701 M702 T722 H752 R753 F781	Y698-L750 HydrophobicContact CD2-CD1 3.92Å; Y698-L750 HydrophobicContact CD2-CD2 3.62Å; Y698-L750 HydrophobicContact CD2-CG 3.66Å; Y698-L750 HydrophobicContact CE2-CD1 4.49Å; Y698-L750 HydrophobicContact CE2-CD2 3.45Å; Y698-L750 VanDerWaalsContact CE2-CD2 3.45Å; Y698-L750 HydrophobicContact CE2-CG 3.75Å; T701-L750 HydrophobicContact CG2-CD1 3.84Å; M702-L750 HydrophobicContact CG-CD2 3.69Å; M702-L750 HydrophobicContact SD-CD2 3.56Å; M702-L750 VanDerWaalsContact SD-CD2 3.56Å; T722-L750 HydrophobicContact CG2-CD1 4.18Å; T722-L750 PolarHBondContact O-N 2.85Å; L750-H752 PolarHBondContact O-N 3.16Å; L750-H752 VanDerWaalsContact O-N 3.13Å; L750-R753 WeakPolarHBondContact O-CB 3.42Å; L750-R753 PolarHBondContact O-N 3.22Å; L750-F781 HydrophobicContact CB-CD2 4.04Å; L750-F781 HydrophobicContact CB-CE2 3.7Å; L750-F781 HydrophobicContact CB-CZ 4.13Å; L750-F781 WeakPolarHBondContact O-CE2 3.46Å
751	A	92.9	Very high	90.7	Very high	22 Å²	22	58.4 Å²	58.4	18%	0.182	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-51.8	-40.9	-174.5	0	0	0	0	0	113.3	N749 R753 A754	N749-A751 VanDerWaalsContact C-N 3.28Å; N749-A751 PolarHBondContact O-N 3.09Å; N749-A751 VanDerWaalsContact OD1-CB 3.25Å; N749-A751 WeakPolarHBondContact OD1-CB 3.44Å; N749-A751 PolarHBondContact OD1-N 2.82Å; A751-R753 PolarHBondContact O-N 2.84Å; A751-A754 WeakPolarHBondContact O-CB 3.41Å; A751-A754 PolarHBondContact O-N 2.87Å
752	H	90.8	Very high	91.5	Very high	106 Å²	106	56.7 Å²	56.7	49%	0.491	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-69.7	-11.4	179.5	77.8	-88.9	0	0	0	114.4	N749 L750	N749-H752 PolarHBondContact O-CE1 3.17Å; N749-H752 VanDerWaalsContact O-CE1 3.25Å; N749-H752 PolarHBondContact O-ND1 3.41Å; L750-H752 PolarHBondContact O-N 3.16Å; L750-H752 VanDerWaalsContact O-N 3.13Å
753	R	91.1	Very high	92	Very high	28 Å²	28	55.8 Å²	55.8	11%	0.106	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-96.1	-10.1	177.5	-64.6	-67.3	-172.6	112.6	5	113	E667 M702 S705 L750 A751 G755 R756	E667-R753 IonicContact OE1-CZ 3.69Å; E667-R753 IonicContact OE1-NH1 2.61Å; E667-R753 PolarHBondContact OE1-NH1 2.89Å; E667-R753 IonicContact OE1-NH2 3.08Å; E667-R753 IonicContact OE2-CZ 2.65Å; E667-R753 IonicContact OE2-NH1 2.82Å; E667-R753 IonicContact OE2-NH2 3.63Å; E667-R753 PolarHBondContact OE2-NH2 2.77Å; M702-R753 HydrophobicContact SD-CG 4.33Å; S705-R753 WeakPolarHBondContact OG-CB 3.22Å; L750-R753 WeakPolarHBondContact O-CB 3.42Å; L750-R753 PolarHBondContact O-N 3.22Å; A751-R753 PolarHBondContact O-N 2.84Å; R753-G755 PolarHBondContact O-N 3.17Å; R753-R756 WeakPolarHBondContact O-CB 3.33Å; R753-R756 PolarHBondContact O-N 2.83Å
754	A	91.7	Very high	92.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-53.3	-48	-171.8	0	0	0	0	0	113.5	A751 R756 L757 F781 H784 L785 E788 A790	A751-A754 WeakPolarHBondContact O-CB 3.41Å; A751-A754 PolarHBondContact O-N 2.87Å; A754-R756 PolarHBondContact O-N 2.86Å; A754-R756 VanDerWaalsContact O-N 3.14Å; A754-L757 WeakPolarHBondContact O-CB 3.24Å; A754-L757 PolarHBondContact O-N 2.9Å; A754-L757 VanDerWaalsContact O-N 3.14Å; A754-F781 HydrophobicContact CB-CE2 4.11Å; A754-H784 HydrophobicContact CB-CB 3.99Å; A754-L785 HydrophobicContact CB-CD2 3.99Å; A754-E788 HydrophobicContact CB-CB 4.36Å; A754-E788 HydrophobicContact CB-CG 3.96Å; A754-A790 WeakPolarHBondContact O-CB 3.06Å
755	G	88.7	Confident	92.5	Very high	32 Å²	32	47.2 Å²	47.2	33%	0.33	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-65	-15.8	180	0	0	0	0	0	115.4	R753 L757	R753-G755 PolarHBondContact O-N 3.17Å; G755-L757 PolarHBondContact O-N 3.38Å
756	R	89.5	Confident	92.6	Very high	94 Å²	94	47.2 Å²	47.2	36%	0.355	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-78.3	-6	176.4	-60	-178.2	169.5	178.3	-11.1	113.4	S705 E707 R753 A754	S705-R756 WeakPolarHBondContact O-CD 3.06Å; E707-R756 IonicContact OE1-CZ 3.48Å; E707-R756 IonicContact OE1-NE 3.47Å; E707-R756 PolarHBondContact OE1-NE 2.93Å; E707-R756 IonicContact OE1-NH2 2.9Å; E707-R756 PolarHBondContact OE1-NH2 2.96Å; E707-R756 IonicContact OE2-CZ 3.85Å; E707-R756 IonicContact OE2-NH2 3.51Å; E707-R756 PolarHBondContact OE2-NH2 3.44Å; R753-R756 WeakPolarHBondContact O-CB 3.33Å; R753-R756 PolarHBondContact O-N 2.83Å; A754-R756 PolarHBondContact O-N 2.86Å; A754-R756 VanDerWaalsContact O-N 3.14Å
757	L	90.3	Very high	92.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-94.2	2.4	179.7	-63.3	170.3	0	0	0	113.3	T701 L704 A754 G755 E759 K760 F762 F781 L785 A790	T701-L757 HydrophobicContact CG2-CD1 4.13Å; L704-L757 HydrophobicContact CB-CD2 4.04Å; L704-L757 HydrophobicContact CD2-CD2 3.82Å; L704-L757 HydrophobicContact CG-CD2 3.68Å; A754-L757 WeakPolarHBondContact O-CB 3.24Å; A754-L757 PolarHBondContact O-N 2.9Å; A754-L757 VanDerWaalsContact O-N 3.14Å; G755-L757 PolarHBondContact O-N 3.38Å; L757-E759 VanDerWaalsContact C-N 3.31Å; L757-E759 PolarHBondContact O-N 2.61Å; L757-K760 HydrophobicContact CD2-CB 4.33Å; L757-K760 HydrophobicContact CD2-CG 4.24Å; L757-K760 PolarHBondContact O-N 2.65Å; L757-F762 HydrophobicContact CD1-CD1 4.08Å; L757-F762 HydrophobicContact CD1-CE1 4.27Å; L757-F781 HydrophobicContact CD1-CZ 4.11Å; L757-L785 HydrophobicContact CD1-CD2 3.77Å; L757-A790 HydrophobicContact CB-CB 4.21Å
758	L	85.7	Confident	92.4	Very high	82 Å²	82	38.9 Å²	38.9	43%	0.429	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-45.9	-176.5	-161	89	0	0	0	113.9	K789 N791	L758-K789 HydrophobicContact CD1-CB 4.35Å; L758-K789 VanDerWaalsContact CD1-O 3.27Å; L758-K789 WeakPolarHBondContact CD1-O 3.34Å; L758-N791 PolarHBondContact O-ND2 3.11Å
759	E	84.8	Confident	92.1	Very high	184 Å²	184	39.1 Å²	39.1	86%	0.86	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	11.5	-177.1	-58.2	-173.9	166	0	0	113.6	L757	L757-E759 VanDerWaalsContact C-N 3.31Å; L757-E759 PolarHBondContact O-N 2.61Å
760	K	90.8	Very high	91.9	Very high	28 Å²	28	38 Å²	38	12%	0.122	19%	0.19	C	C	.	.	S	Bend	trans	-108	146.5	-174.1	-55.8	-59.3	-170.1	178.1	0	111.2	L704 T710 L712 L757 F762	L704-K760 HydrophobicContact CD1-CB 4.09Å; L704-K760 HydrophobicContact CD1-CD 4.05Å; L704-K760 HydrophobicContact CD1-CG 4.11Å; L704-K760 HydrophobicContact CD2-CB 4.18Å; L704-K760 HydrophobicContact CG-CB 4.04Å; L704-K760 HydrophobicContact CG-CG 4.09Å; L704-K760 WeakPolarHBondContact O-CE 3.21Å; T710-K760 PolarHBondContact O-NZ 2.83Å; L712-K760 PolarHBondContact O-NZ 2.9Å; L757-K760 HydrophobicContact CD2-CB 4.33Å; L757-K760 HydrophobicContact CD2-CG 4.24Å; L757-K760 PolarHBondContact O-N 2.65Å; K760-F762 PolarHBondContact O-N 2.99Å
761	Q	94.8	Very high	91.5	Very high	147 Å²	147	38.7 Å²	38.7	69%	0.687	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87	94.3	168.8	-72	-178.7	-27.9	0	0	109.5	K713 C714 G715	K713-Q761 PolarHBondContact O-N 3.3Å; C714-Q761 CarbonylContact C-O 3.44Å; C714-Q761 WeakPolarHBondContact CA-O 3.37Å; C714-Q761 HydrophobicContact CB-CB 3.83Å; C714-Q761 WeakPolarHBondContact CB-O 3.47Å; G715-Q761 PolarHBondContact N-O 2.71Å
762	F	97	Very high	91.4	Very high	5 Å²	5	39.9 Å²	39.9	2%	0.022	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.1	-177.6	-174.3	-133.9	0	0	0	112.1	T701 L704 A717 L757 K760 I764 F781 L785 Y792 T793	T701-F762 HydrophobicContact CG2-CE1 4.29Å; T701-F762 HydrophobicContact CG2-CE2 4.26Å; T701-F762 HydrophobicContact CG2-CZ 3.75Å; T701-F762 WeakPolarHBondContact OG1-CZ 3.44Å; L704-F762 HydrophobicContact CD2-CB 3.93Å; L704-F762 HydrophobicContact CD2-CD2 3.51Å; L704-F762 HydrophobicContact CD2-CE2 4.36Å; L704-F762 HydrophobicContact CD2-CG 4.02Å; A717-F762 HydrophobicContact CB-CE2 3.82Å; A717-F762 HydrophobicContact CB-CZ 3.98Å; L757-F762 HydrophobicContact CD1-CD1 4.08Å; L757-F762 HydrophobicContact CD1-CE1 4.27Å; K760-F762 PolarHBondContact O-N 2.99Å; F762-I764 HydrophobicContact CD1-CD1 4.17Å; F762-I764 HydrophobicContact CD1-CG1 3.86Å; F762-I764 HydrophobicContact CE1-CD1 3.62Å; F762-I764 HydrophobicContact CE1-CG1 3.31Å; F762-I764 HydrophobicContact CZ-CD1 4.38Å; F762-I764 HydrophobicContact CZ-CG1 3.71Å; F762-F781 AromaticContact CE1-CE1 3.86Å; F762-F781 HydrophobicContact CE1-CE1 3.86Å; F762-F781 HydrophobicContact CZ-CE1 4.34Å; F762-L785 HydrophobicContact CD1-CD1 4.37Å; F762-L785 HydrophobicContact CE1-CD1 4.29Å; F762-Y792 CarbonylContact O-C 3.58Å; F762-Y792 WeakPolarHBondContact O-CA 3.04Å; F762-T793 PolarHBondContact O-N 2.82Å
763	L	97.8	Very high	91.6	Very high	49 Å²	49	35 Å²	35	26%	0.257	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.9	174.7	175	61.5	0	0	0	110	G715 A716 A717 I765 T793 Q795	G715-L763 PolarHBondContact O-N 2.74Å; A716-L763 CarbonylContact C-O 3.17Å; A716-L763 VanDerWaalsContact CA-O 3.29Å; A716-L763 WeakPolarHBondContact CA-O 3.33Å; A716-L763 HydrophobicContact CB-CB 4.27Å; A716-L763 HydrophobicContact CB-CD2 4.42Å; A717-L763 PolarHBondContact N-O 3Å; L763-I765 HydrophobicContact CD1-CG1 4.32Å; L763-I765 HydrophobicContact CD2-CD1 3.88Å; L763-I765 HydrophobicContact CD2-CG1 4.27Å; L763-I765 HydrophobicContact CG-CD1 3.95Å; L763-I765 HydrophobicContact CG-CG1 4.01Å; L763-T793 WeakPolarHBondContact CA-O 2.91Å; L763-T793 HydrophobicContact CD1-CG2 3.86Å; L763-Q795 HydrophobicContact CD1-CB 4.42Å
764	I	97.6	Very high	91.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.8	170.5	-52.2	168.1	0	0	0	108.3	P720 F762 T778 I782 L785 Y792 T793 L794 Q795	P720-I764 HydrophobicContact CG-CG2 4.2Å; F762-I764 HydrophobicContact CD1-CD1 4.17Å; F762-I764 HydrophobicContact CD1-CG1 3.86Å; F762-I764 HydrophobicContact CE1-CD1 3.62Å; F762-I764 HydrophobicContact CE1-CG1 3.31Å; F762-I764 HydrophobicContact CZ-CD1 4.38Å; F762-I764 HydrophobicContact CZ-CG1 3.71Å; I764-T778 HydrophobicContact CG2-CG2 3.69Å; I764-I782 HydrophobicContact CD1-CD1 4.25Å; I764-I782 HydrophobicContact CD1-CG1 3.94Å; I764-L785 HydrophobicContact CD1-CD1 3.81Å; I764-Y792 HydrophobicContact CD1-CD2 4.25Å; I764-T793 PolarHBondContact N-O 3.01Å; I764-L794 HydrophobicContact CB-CD1 3.89Å; I764-L794 HydrophobicContact CG2-CD1 3.9Å; I764-L794 CarbonylContact O-C 3.5Å; I764-L794 WeakPolarHBondContact O-CA 3.02Å; I764-Q795 PolarHBondContact O-N 3.15Å
765	I	96.7	Very high	91.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.9	175.6	-62.3	137.4	0	0	0	107.8	A717 V718 S719 L763 Q795 F806 F811	A717-I765 PolarHBondContact O-N 2.81Å; V718-I765 CarbonylContact C-O 3.59Å; V718-I765 WeakPolarHBondContact CA-O 3.3Å; V718-I765 HydrophobicContact CG1-CB 4.48Å; V718-I765 HydrophobicContact CG1-CG2 4.23Å; V718-I765 HydrophobicContact CG2-CB 4.17Å; V718-I765 HydrophobicContact CG2-CD1 3.82Å; V718-I765 HydrophobicContact CG2-CG2 4.48Å; S719-I765 PolarHBondContact N-O 3.47Å; L763-I765 HydrophobicContact CD1-CG1 4.32Å; L763-I765 HydrophobicContact CD2-CD1 3.88Å; L763-I765 HydrophobicContact CD2-CG1 4.27Å; L763-I765 HydrophobicContact CG-CD1 3.95Å; L763-I765 HydrophobicContact CG-CG1 4.01Å; I765-Q795 WeakPolarHBondContact CA-O 3.4Å; I765-Q795 HydrophobicContact CG1-CB 4.18Å; I765-F806 HydrophobicContact CG2-CE1 3.96Å; I765-F806 HydrophobicContact CG2-CZ 4.42Å; I765-F811 HydrophobicContact CB-CE2 4.09Å; I765-F811 HydrophobicContact CB-CZ 4.49Å; I765-F811 HydrophobicContact CD1-CD2 4.47Å; I765-F811 HydrophobicContact CD1-CE1 3.75Å; I765-F811 HydrophobicContact CD1-CE2 3.61Å; I765-F811 HydrophobicContact CD1-CZ 3.18Å; I765-F811 HydrophobicContact CG1-CE2 3.54Å; I765-F811 HydrophobicContact CG1-CZ 3.52Å; I765-F811 HydrophobicContact CG2-CD2 3.84Å; I765-F811 HydrophobicContact CG2-CE2 3.41Å; I765-F811 VanDerWaalsContact CG2-CE2 3.41Å; I765-F811 HydrophobicContact CG2-CZ 4.27Å
766	H	95	Very high	92.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	122.7	-177.5	-148.8	133.1	0	0	0	111.9	V773 F775 T778 Q795 V796 S797	H766-V773 PolarHBondContact CE1-O 3.46Å; H766-V773 PolarHBondContact NE2-O 3.14Å; H766-F775 HydrophobicContact CB-CD2 3.87Å; H766-F775 HydrophobicContact CB-CE2 4.06Å; H766-F775 AromaticContact CD2-CD2 3.84Å; H766-F775 AromaticContact CG-CD2 3.74Å; H766-F775 WeakPolarHBondContact NE2-CA 3.29Å; H766-F775 PolarHBondContact NE2-N 2.8Å; H766-T778 HydrophobicContact CB-CG2 4.4Å; H766-T778 VanDerWaalsContact ND1-CB 3.34Å; H766-T778 WeakPolarHBondContact ND1-CB 3.45Å; H766-T778 PolarHBondContact ND1-OG1 3.47Å; H766-Q795 PolarHBondContact N-O 2.74Å; H766-V796 WeakPolarHBondContact O-CA 3.34Å; H766-S797 PolarHBondContact O-N 3.43Å
767	P	90.8	Very high	92.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.4	171.2	26.8	-26.1	0	0	0	111.1	S719 A769 D770 S797 C803 F806	S719-P767 WeakPolarHBondContact OG-CD 3.19Å; P767-A769 PolarHBondContact O-N 3.49Å; P767-D770 HydrophobicContact CG-CB 4.02Å; P767-D770 PolarHBondContact O-N 3.05Å; P767-S797 CarbonylContact C-O 3.56Å; P767-S797 WeakPolarHBondContact CA-O 3.25Å; P767-C803 HydrophobicContact CG-CB 4.31Å; P767-F806 HydrophobicContact CB-CB 4.44Å; P767-F806 HydrophobicContact CB-CD1 3.95Å; P767-F806 HydrophobicContact CB-CE1 4.38Å; P767-F806 HydrophobicContact CB-CG 4.02Å; P767-F806 HydrophobicContact CG-CB 4.48Å; P767-F806 HydrophobicContact CG-CD1 3.79Å; P767-F806 HydrophobicContact CG-CE1 4.37Å; P767-F806 HydrophobicContact CG-CG 4.22Å
768	T	90.1	Very high	93	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.049	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.9	-177.2	58.4	0	0	0	0	113.4	F314 V796 S797 F798	F314-T768 HydrophobicContact CD2-CG2 4.05Å; F314-T768 HydrophobicContact CE2-CG2 3.91Å; T768-V796 HydrophobicContact CG2-CG1 3.28Å; T768-S797 PolarHBondContact N-O 3.28Å; T768-S797 PolarHBondContact OG1-O 3.47Å; T768-F798 HydrophobicContact CG2-CD1 3.52Å; T768-F798 HydrophobicContact CG2-CE1 3.62Å; T768-F798 HydrophobicContact CG2-CG 4.5Å
769	A	88.6	Confident	93.5	Very high	10 Å²	10	32.6 Å²	32.6	8%	0.083	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	29.4	179.9	0	0	0	0	0	113.3	V311 Y313 P767 E771	V311-A769 HydrophobicContact CG1-CB 3.98Å; Y313-A769 HydrophobicContact CD1-CB 4.25Å; Y313-A769 HydrophobicContact CE1-CB 3.95Å; P767-A769 PolarHBondContact O-N 3.49Å; A769-E771 PolarHBondContact O-N 2.84Å
770	D	89.4	Confident	94	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.011	14%	0.138	C	C	.	.			trans	-67.5	110.4	174.5	-157.6	-49.2	0	0	0	110.6	S719 P767 K772 V773 C803	S719-D770 WeakPolarHBondContact CB-OD2 3.39Å; S719-D770 PolarHBondContact OG-OD2 3.22Å; P767-D770 HydrophobicContact CG-CB 4.02Å; P767-D770 PolarHBondContact O-N 3.05Å; D770-K772 VanDerWaalsContact C-N 3.32Å; D770-K772 PolarHBondContact OD1-N 3.42Å; D770-V773 VanDerWaalsContact CB-O 3.32Å; D770-V773 WeakPolarHBondContact CB-O 3.24Å; D770-V773 VanDerWaalsContact CG-O 3.23Å; D770-V773 PolarHBondContact OD1-N 2.92Å; D770-C803 VanDerWaalsContact OD2-CB 3.29Å; D770-C803 WeakPolarHBondContact OD2-CB 3.36Å; D770-C803 PolarHBondContact OD2-SG 2.91Å
771	E	88.6	Confident	94.3	Very high	15 Å²	15	26.5 Å²	26.5	7%	0.07	13%	0.133	C	C	.	.	S	Bend	trans	-77.9	-17.3	-180	75.1	-79.4	-164.9	0	0	113.1	Y194 W274 Y325 A769 S802 C803	Y194-E771 HydrophobicContact CD1-CB 4.23Å; Y194-E771 HydrophobicContact CD1-CG 3.96Å; W274-E771 PolarHBondContact NE1-O 2.91Å; Y325-E771 WeakPolarHBondContact OH-CA 3.43Å; Y325-E771 PolarHBondContact OH-O 2.86Å; A769-E771 PolarHBondContact O-N 2.84Å; E771-S802 WeakPolarHBondContact OE1-CB 3.39Å; E771-S802 WeakPolarHBondContact OE2-CA 3.43Å; E771-S802 WeakPolarHBondContact OE2-CB 3.22Å; E771-C803 PolarHBondContact OE2-N 3.45Å
772	K	89.8	Confident	94.4	Very high	48 Å²	48	20.3 Å²	20.3	21%	0.209	10%	0.104	C	C	.	.	S	Bend	trans	-103.7	-54.3	-170.5	-174	171.7	-168.4	124.2	0	111.7	W274 E278 Y327 Y727 D770	W274-K772 HydrophobicContact CZ2-CB 4.48Å; W274-K772 HydrophobicContact CZ2-CG 4.27Å; E278-K772 IonicContact OE2-NZ 3.54Å; E278-K772 PolarHBondContact OE2-NZ 3.13Å; Y327-K772 PolarHBondContact OH-O 2.95Å; Y727-K772 WeakPolarHBondContact CE2-O 3.34Å; D770-K772 VanDerWaalsContact C-N 3.32Å; D770-K772 PolarHBondContact OD1-N 3.42Å
773	V	94.5	Very high	94.4	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	13%	0.131	C	C	.	.	S	Bend	trans	-112.5	93.3	172.1	-174.4	0	0	0	0	106.3	A694 S719 I721 Y727 H766 D770 H777	A694-V773 HydrophobicContact CB-CG2 4.01Å; S719-V773 WeakPolarHBondContact O-CG1 3.41Å; I721-V773 HydrophobicContact CD1-CG2 4.33Å; I721-V773 HydrophobicContact CG1-CB 4.49Å; I721-V773 HydrophobicContact CG1-CG1 3.88Å; I721-V773 HydrophobicContact CG1-CG2 3.73Å; Y727-V773 HydrophobicContact CD2-CG2 4.47Å; Y727-V773 HydrophobicContact CE2-CG2 3.84Å; H766-V773 PolarHBondContact CE1-O 3.46Å; H766-V773 PolarHBondContact NE2-O 3.14Å; D770-V773 VanDerWaalsContact CB-O 3.32Å; D770-V773 WeakPolarHBondContact CB-O 3.24Å; D770-V773 VanDerWaalsContact CG-O 3.23Å; D770-V773 PolarHBondContact OD1-N 2.92Å; V773-H777 HydrophobicContact CG1-CB 4.19Å; V773-H777 WeakPolarHBondContact CG1-CD2 3.46Å
774	H	95.1	Very high	94.3	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	13%	0.132	C	C	.	.			trans	-53	144.1	-174.7	-55.3	140.8	0	0	0	113.1	M309 Y325 Y327 K329 Q776 H777	M309-H774 HydrophobicContact CE-CB 3.98Å; Y325-H774 AromaticContact CZ-NE2 3.9Å; Y325-H774 PolarHBondContact OH-NE2 3.36Å; Y327-H774 AromaticContact CD1-CE1 3.57Å; Y327-H774 AromaticContact CD2-CE1 3.54Å; Y327-H774 AromaticContact CD2-NE2 3.48Å; Y327-H774 WeakPolarHBondContact CD2-NE2 3.4Å; Y327-H774 AromaticContact CE1-CE1 3.5Å; Y327-H774 VanDerWaalsContact CE1-CE1 3.5Å; Y327-H774 WeakPolarHBondContact CE1-CE1 3.14Å; Y327-H774 AromaticContact CE2-CE1 3.45Å; Y327-H774 VanDerWaalsContact CE2-CE1 3.45Å; Y327-H774 WeakPolarHBondContact CE2-CE1 3.32Å; Y327-H774 AromaticContact CE2-NE2 3.42Å; Y327-H774 WeakPolarHBondContact CE2-NE2 3.37Å; Y327-H774 AromaticContact CG-CE1 3.59Å; Y327-H774 AromaticContact CG-NE2 3.94Å; Y327-H774 AromaticContact CZ-CE1 3.43Å; Y327-H774 VanDerWaalsContact CZ-CE1 3.43Å; Y327-H774 AromaticContact CZ-NE2 3.86Å; K329-H774 WeakPolarHBondContact CE-ND1 3.38Å; K329-H774 PolarHBondContact NZ-ND1 2.88Å; H774-Q776 HydrophobicContact CB-CB 4.09Å; H774-Q776 PolarHBondContact O-N 3.21Å; H774-H777 WeakPolarHBondContact O-CB 3.1Å; H774-H777 PolarHBondContact O-CD2 2.99Å; H774-H777 PolarHBondContact O-N 3.06Å
775	F	94.9	Very high	94.2	Very high	58 Å²	58	25.7 Å²	25.7	25%	0.254	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-24	173.3	-174.1	-104.6	0	0	0	113.3	H766 H777 T778 A779 V796	H766-F775 HydrophobicContact CB-CD2 3.87Å; H766-F775 HydrophobicContact CB-CE2 4.06Å; H766-F775 AromaticContact CD2-CD2 3.84Å; H766-F775 AromaticContact CG-CD2 3.74Å; H766-F775 WeakPolarHBondContact NE2-CA 3.29Å; H766-F775 PolarHBondContact NE2-N 2.8Å; F775-H777 PolarHBondContact O-N 2.72Å; F775-H777 VanDerWaalsContact O-N 3.15Å; F775-T778 HydrophobicContact CE2-CG2 4.03Å; F775-T778 PolarHBondContact O-N 2.89Å; F775-A779 HydrophobicContact CD1-CB 4.26Å; F775-A779 HydrophobicContact CE1-CB 4.09Å; F775-A779 PolarHBondContact O-N 3.38Å; F775-V796 HydrophobicContact CE2-CG1 4.46Å; F775-V796 HydrophobicContact CE2-CG2 4.13Å; F775-V796 HydrophobicContact CZ-CG2 4.29Å
776	Q	96.1	Very high	94.1	Very high	79 Å²	79	30.4 Å²	30.4	37%	0.369	16%	0.156	S	C	.	.	H	α-helix	trans	-46.6	-38.6	169	-166.7	-175.6	29.1	0	0	113.4	M309 L726 H774 K780	M309-Q776 HydrophobicContact CE-CB 4.48Å; L726-Q776 HydrophobicContact CD1-CG 4.09Å; H774-Q776 HydrophobicContact CB-CB 4.09Å; H774-Q776 PolarHBondContact O-N 3.21Å; Q776-K780 VanDerWaalsContact O-CB 3.27Å; Q776-K780 WeakPolarHBondContact O-CB 3.18Å; Q776-K780 PolarHBondContact O-N 3.38Å
777	H	97.4	Very high	94.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.3	-49.1	176.2	-78.5	-81.2	0	0	0	112	T722 D723 Y727 V773 H774 F775 F781	T722-H777 HydrophobicContact CG2-CB 4.3Å; T722-H777 WeakPolarHBondContact CG2-O 3.34Å; T722-H777 PolarHBondContact N-ND1 2.83Å; T722-H777 VanDerWaalsContact OG1-C 3.24Å; T722-H777 VanDerWaalsContact OG1-CA 3.27Å; T722-H777 WeakPolarHBondContact OG1-CA 3.49Å; T722-H777 WeakPolarHBondContact OG1-CB 3.42Å; T722-H777 PolarHBondContact OG1-ND1 3.14Å; T722-H777 PolarHBondContact OG1-O 2.87Å; D723-H777 PolarHBondContact O-CE1 2.95Å; Y727-H777 AromaticContact CD2-NE2 3.9Å; V773-H777 HydrophobicContact CG1-CB 4.19Å; V773-H777 WeakPolarHBondContact CG1-CD2 3.46Å; H774-H777 WeakPolarHBondContact O-CB 3.1Å; H774-H777 PolarHBondContact O-CD2 2.99Å; H774-H777 PolarHBondContact O-N 3.06Å; F775-H777 PolarHBondContact O-N 2.72Å; F775-H777 VanDerWaalsContact O-N 3.15Å; H777-F781 WeakPolarHBondContact O-CB 3.49Å; H777-F781 PolarHBondContact O-N 2.94Å; H777-F781 VanDerWaalsContact O-N 3.11Å
778	T	96.8	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-74.4	-40.2	-179.8	-76.3	0	0	0	0	111.6	I764 H766 F775 K780 F781 I782 L794	I764-T778 HydrophobicContact CG2-CG2 3.69Å; H766-T778 HydrophobicContact CB-CG2 4.4Å; H766-T778 VanDerWaalsContact ND1-CB 3.34Å; H766-T778 WeakPolarHBondContact ND1-CB 3.45Å; H766-T778 PolarHBondContact ND1-OG1 3.47Å; F775-T778 HydrophobicContact CE2-CG2 4.03Å; F775-T778 PolarHBondContact O-N 2.89Å; T778-K780 PolarHBondContact O-N 3.43Å; T778-F781 PolarHBondContact O-N 2.9Å; T778-I782 HydrophobicContact CG2-CD1 3.57Å; T778-I782 HydrophobicContact CG2-CG1 4.22Å; T778-I782 VanDerWaalsContact O-CB 3.31Å; T778-I782 WeakPolarHBondContact O-CB 3.46Å; T778-I782 VanDerWaalsContact O-CG1 3.29Å; T778-I782 WeakPolarHBondContact O-CG1 3.44Å; T778-I782 PolarHBondContact O-N 2.81Å; T778-L794 HydrophobicContact CG2-CD1 3.89Å
779	A	96.2	Very high	94.6	Very high	47 Å²	47	46.3 Å²	46.3	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-58.7	-46.8	174.6	0	0	0	0	0	112.4	F775 N783	F775-A779 HydrophobicContact CD1-CB 4.26Å; F775-A779 HydrophobicContact CE1-CB 4.09Å; F775-A779 PolarHBondContact O-N 3.38Å; A779-N783 PolarHBondContact O-N 3.08Å
780	K	96.6	Very high	94.8	Very high	80 Å²	80	46.2 Å²	46.2	35%	0.348	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-43.4	176.5	-173.9	178.6	-179.4	-179.1	0	111.6	D723 L726 Q776 T778 N783 H784	D723-K780 IonicContact OD2-NZ 2.76Å; D723-K780 PolarHBondContact OD2-NZ 3.05Å; L726-K780 HydrophobicContact CD1-CD 3.87Å; Q776-K780 VanDerWaalsContact O-CB 3.27Å; Q776-K780 WeakPolarHBondContact O-CB 3.18Å; Q776-K780 PolarHBondContact O-N 3.38Å; T778-K780 PolarHBondContact O-N 3.43Å; K780-N783 WeakPolarHBondContact O-CB 3.24Å; K780-N783 PolarHBondContact O-N 2.95Å; K780-H784 PolarHBondContact O-CD2 2.88Å; K780-H784 PolarHBondContact O-N 2.9Å
781	F	97	Very high	94.9	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-70.6	-37.6	-179.2	-174	-128.8	0	0	0	112.9	T701 T722 L750 A754 L757 F762 H777 T778 N783 H784 L785	T701-F781 HydrophobicContact CG2-CE1 3.82Å; T701-F781 HydrophobicContact CG2-CZ 3.83Å; T722-F781 HydrophobicContact CG2-CB 3.58Å; T722-F781 HydrophobicContact CG2-CD1 3.95Å; T722-F781 HydrophobicContact CG2-CG 3.84Å; L750-F781 HydrophobicContact CB-CD2 4.04Å; L750-F781 HydrophobicContact CB-CE2 3.7Å; L750-F781 HydrophobicContact CB-CZ 4.13Å; L750-F781 WeakPolarHBondContact O-CE2 3.46Å; A754-F781 HydrophobicContact CB-CE2 4.11Å; L757-F781 HydrophobicContact CD1-CZ 4.11Å; F762-F781 AromaticContact CE1-CE1 3.86Å; F762-F781 HydrophobicContact CE1-CE1 3.86Å; F762-F781 HydrophobicContact CZ-CE1 4.34Å; H777-F781 WeakPolarHBondContact O-CB 3.49Å; H777-F781 PolarHBondContact O-N 2.94Å; H777-F781 VanDerWaalsContact O-N 3.11Å; T778-F781 PolarHBondContact O-N 2.9Å; F781-N783 VanDerWaalsContact C-N 3.29Å; F781-N783 PolarHBondContact O-N 3.12Å; F781-H784 CarbonylContact O-C 3.57Å; F781-H784 WeakPolarHBondContact O-CA 3.29Å; F781-H784 WeakPolarHBondContact O-CB 3.34Å; F781-H784 PolarHBondContact O-N 3.46Å; F781-L785 HydrophobicContact CD1-CD1 3.99Å; F781-L785 HydrophobicContact CD1-CG 4.36Å; F781-L785 HydrophobicContact CE1-CD1 3.93Å; F781-L785 HydrophobicContact CE1-CD2 4.16Å; F781-L785 HydrophobicContact CE1-CG 4.19Å; F781-L785 HydrophobicContact CE2-CD2 4.43Å; F781-L785 HydrophobicContact CZ-CD2 3.94Å; F781-L785 HydrophobicContact CZ-CG 4.28Å; F781-L785 WeakPolarHBondContact O-CG 3.44Å; F781-L785 PolarHBondContact O-N 2.94Å
782	I	96.6	Very high	95.2	Very high	18 Å²	18	54 Å²	54	9%	0.092	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-38.5	173.6	-77.3	173.6	0	0	0	111.7	I764 T778 H784 L785 I786 Y792 L794	I764-I782 HydrophobicContact CD1-CD1 4.25Å; I764-I782 HydrophobicContact CD1-CG1 3.94Å; T778-I782 HydrophobicContact CG2-CD1 3.57Å; T778-I782 HydrophobicContact CG2-CG1 4.22Å; T778-I782 VanDerWaalsContact O-CB 3.31Å; T778-I782 WeakPolarHBondContact O-CB 3.46Å; T778-I782 VanDerWaalsContact O-CG1 3.29Å; T778-I782 WeakPolarHBondContact O-CG1 3.44Å; T778-I782 PolarHBondContact O-N 2.81Å; I782-H784 PolarHBondContact O-N 2.85Å; I782-L785 HydrophobicContact CG1-CD1 4.33Å; I782-L785 PolarHBondContact O-N 2.91Å; I782-L785 VanDerWaalsContact O-N 3.12Å; I782-I786 HydrophobicContact CG2-CD1 3.65Å; I782-I786 HydrophobicContact CG2-CG1 4.21Å; I782-I786 VanDerWaalsContact O-CG1 3.3Å; I782-I786 WeakPolarHBondContact O-CG1 3.1Å; I782-I786 PolarHBondContact O-N 2.68Å; I782-Y792 HydrophobicContact CD1-CD2 4.5Å; I782-Y792 HydrophobicContact CD1-CE2 3.9Å; I782-Y792 HydrophobicContact CG1-CD2 4.39Å; I782-Y792 HydrophobicContact CG1-CE2 3.95Å; I782-Y792 HydrophobicContact CG2-CE1 4.42Å; I782-Y792 HydrophobicContact CG2-CE2 4.18Å; I782-Y792 VanDerWaalsContact CG2-OH 3.3Å; I782-Y792 WeakPolarHBondContact CG2-OH 3.33Å; I782-L794 HydrophobicContact CD1-CB 4.46Å; I782-L794 HydrophobicContact CD1-CD1 4Å; I782-L794 HydrophobicContact CD1-CD2 3.67Å; I782-L794 HydrophobicContact CD1-CG 4.24Å
783	N	96.3	Very high	95.5	Very high	109 Å²	109	56 Å²	56	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-58	-38.6	174.3	-168.2	43.8	0	0	0	111.9	A779 K780 F781 S787	A779-N783 PolarHBondContact O-N 3.08Å; K780-N783 WeakPolarHBondContact O-CB 3.24Å; K780-N783 PolarHBondContact O-N 2.95Å; F781-N783 VanDerWaalsContact C-N 3.29Å; F781-N783 PolarHBondContact O-N 3.12Å; N783-S787 PolarHBondContact O-N 3.32Å
784	H	95.4	Very high	95.6	Very high	58 Å²	58	58.9 Å²	58.9	27%	0.269	30%	0.302	S	S	.	.	H	α-helix	trans	-72.1	-38.6	172.9	-67.3	-68.5	0	0	0	113.1	A754 K780 F781 I782 I786 S787 E788	A754-H784 HydrophobicContact CB-CB 3.99Å; K780-H784 PolarHBondContact O-CD2 2.88Å; K780-H784 PolarHBondContact O-N 2.9Å; F781-H784 CarbonylContact O-C 3.57Å; F781-H784 WeakPolarHBondContact O-CA 3.29Å; F781-H784 WeakPolarHBondContact O-CB 3.34Å; F781-H784 PolarHBondContact O-N 3.46Å; I782-H784 PolarHBondContact O-N 2.85Å; H784-I786 VanDerWaalsContact C-N 3.29Å; H784-I786 PolarHBondContact O-N 2.72Å; H784-S787 WeakPolarHBondContact CA-OG 3.38Å; H784-S787 PolarHBondContact O-N 2.03Å; H784-S787 PolarHBondContact O-OG 2.83Å; H784-E788 WeakPolarHBondContact O-CB 3.26Å; H784-E788 WeakPolarHBondContact O-CG 3.36Å; H784-E788 PolarHBondContact O-N 3.2Å
785	L	95.7	Very high	95.6	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-40.9	173.9	-66.1	171.1	0	0	0	111.3	A754 L757 F762 I764 F781 I782 K789 A790 Y792	A754-L785 HydrophobicContact CB-CD2 3.99Å; L757-L785 HydrophobicContact CD1-CD2 3.77Å; F762-L785 HydrophobicContact CD1-CD1 4.37Å; F762-L785 HydrophobicContact CE1-CD1 4.29Å; I764-L785 HydrophobicContact CD1-CD1 3.81Å; F781-L785 HydrophobicContact CD1-CD1 3.99Å; F781-L785 HydrophobicContact CD1-CG 4.36Å; F781-L785 HydrophobicContact CE1-CD1 3.93Å; F781-L785 HydrophobicContact CE1-CD2 4.16Å; F781-L785 HydrophobicContact CE1-CG 4.19Å; F781-L785 HydrophobicContact CE2-CD2 4.43Å; F781-L785 HydrophobicContact CZ-CD2 3.94Å; F781-L785 HydrophobicContact CZ-CG 4.28Å; F781-L785 WeakPolarHBondContact O-CG 3.44Å; F781-L785 PolarHBondContact O-N 2.94Å; I782-L785 HydrophobicContact CG1-CD1 4.33Å; I782-L785 PolarHBondContact O-N 2.91Å; I782-L785 VanDerWaalsContact O-N 3.12Å; L785-K789 CarbonylContact O-C 3.48Å; L785-K789 PolarHBondContact O-N 2.89Å; L785-A790 HydrophobicContact CB-CB 4.28Å; L785-A790 HydrophobicContact CD2-CB 3.8Å; L785-A790 PolarHBondContact O-N 2.67Å; L785-Y792 HydrophobicContact CB-CD1 3.9Å; L785-Y792 HydrophobicContact CB-CE1 4.17Å; L785-Y792 HydrophobicContact CD1-CD1 4.03Å; L785-Y792 HydrophobicContact CD1-CG 3.98Å
786	I	95.8	Very high	95.5	Very high	98 Å²	98	61.1 Å²	61.1	50%	0.503	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-44.5	176.5	-66.3	167.2	0	0	0	111	I782 H784 E788 K789 Y792	I782-I786 HydrophobicContact CG2-CD1 3.65Å; I782-I786 HydrophobicContact CG2-CG1 4.21Å; I782-I786 VanDerWaalsContact O-CG1 3.3Å; I782-I786 WeakPolarHBondContact O-CG1 3.1Å; I782-I786 PolarHBondContact O-N 2.68Å; H784-I786 VanDerWaalsContact C-N 3.29Å; H784-I786 PolarHBondContact O-N 2.72Å; I786-E788 VanDerWaalsContact C-N 3.31Å; I786-E788 PolarHBondContact O-N 2.88Å; I786-K789 PolarHBondContact O-N 3.06Å; I786-K789 VanDerWaalsContact O-N 3.09Å; I786-Y792 HydrophobicContact CG1-CE1 4.06Å
787	S	95.2	Very high	94.8	Very high	70 Å²	70	57.6 Å²	57.6	49%	0.49	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-38.9	179	68.7	0	0	0	0	112.4	N783 H784 K789	N783-S787 PolarHBondContact O-N 3.32Å; H784-S787 WeakPolarHBondContact CA-OG 3.38Å; H784-S787 PolarHBondContact O-N 2.03Å; H784-S787 PolarHBondContact O-OG 2.83Å; S787-K789 VanDerWaalsContact C-N 3.28Å; S787-K789 PolarHBondContact O-N 2.92Å
788	E	95.2	Very high	93.7	Very high	102 Å²	102	62.7 Å²	62.7	48%	0.477	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2.9	176.5	-58	-54.8	129.4	0	0	113.8	A754 H784 I786 A790	A754-E788 HydrophobicContact CB-CB 4.36Å; A754-E788 HydrophobicContact CB-CG 3.96Å; H784-E788 WeakPolarHBondContact O-CB 3.26Å; H784-E788 WeakPolarHBondContact O-CG 3.36Å; H784-E788 PolarHBondContact O-N 3.2Å; I786-E788 VanDerWaalsContact C-N 3.31Å; I786-E788 PolarHBondContact O-N 2.88Å; E788-A790 PolarHBondContact O-N 2.95Å
789	K	94.7	Very high	91.8	Very high	171 Å²	171	64.9 Å²	64.9	74%	0.743	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	24.6	-179.3	-52.5	174.5	-176.2	172.5	0	114.7	L758 L785 I786 S787	L758-K789 HydrophobicContact CD1-CB 4.35Å; L758-K789 VanDerWaalsContact CD1-O 3.27Å; L758-K789 WeakPolarHBondContact CD1-O 3.34Å; L785-K789 CarbonylContact O-C 3.48Å; L785-K789 PolarHBondContact O-N 2.89Å; I786-K789 PolarHBondContact O-N 3.06Å; I786-K789 VanDerWaalsContact O-N 3.09Å; S787-K789 VanDerWaalsContact C-N 3.28Å; S787-K789 PolarHBondContact O-N 2.92Å
790	A	93	Very high	89.5	Confident	7 Å²	7	70 Å²	70	6%	0.058	35%	0.347	C	S	.	.			trans	-69.6	141	-179.7	0	0	0	0	0	112.1	A754 L757 L785 E788	A754-A790 WeakPolarHBondContact O-CB 3.06Å; L757-A790 HydrophobicContact CB-CB 4.21Å; L785-A790 HydrophobicContact CB-CB 4.28Å; L785-A790 HydrophobicContact CD2-CB 3.8Å; L785-A790 PolarHBondContact O-N 2.67Å; E788-A790 PolarHBondContact O-N 2.95Å
791	N	91.4	Very high	86.8	Confident	107 Å²	107	67.8 Å²	67.8	57%	0.572	34%	0.342	S	S	*	.			trans	-78.8	126.9	176.3	-70	-58	0	0	0	110.4	L758	L758-N791 PolarHBondContact O-ND2 3.11Å
792	Y	95.3	Very high	84.3	Confident	74 Å²	74	68.4 Å²	68.4	29%	0.29	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.2	173.4	71.2	-81.7	0	0	0	110.7	F762 I764 I782 L785 I786 L794	F762-Y792 CarbonylContact O-C 3.58Å; F762-Y792 WeakPolarHBondContact O-CA 3.04Å; I764-Y792 HydrophobicContact CD1-CD2 4.25Å; I782-Y792 HydrophobicContact CD1-CD2 4.5Å; I782-Y792 HydrophobicContact CD1-CE2 3.9Å; I782-Y792 HydrophobicContact CG1-CD2 4.39Å; I782-Y792 HydrophobicContact CG1-CE2 3.95Å; I782-Y792 HydrophobicContact CG2-CE1 4.42Å; I782-Y792 HydrophobicContact CG2-CE2 4.18Å; I782-Y792 VanDerWaalsContact CG2-OH 3.3Å; I782-Y792 WeakPolarHBondContact CG2-OH 3.33Å; L785-Y792 HydrophobicContact CB-CD1 3.9Å; L785-Y792 HydrophobicContact CB-CE1 4.17Å; L785-Y792 HydrophobicContact CD1-CD1 4.03Å; L785-Y792 HydrophobicContact CD1-CG 3.98Å; I786-Y792 HydrophobicContact CG1-CE1 4.06Å; Y792-L794 HydrophobicContact CD2-CB 4.28Å; Y792-L794 HydrophobicContact CE2-CB 4.09Å
793	T	97	Very high	81.4	Confident	91 Å²	91	67.9 Å²	67.9	56%	0.558	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	136.8	166.2	-59.4	0	0	0	0	107.9	F762 L763 I764	F762-T793 PolarHBondContact O-N 2.82Å; L763-T793 WeakPolarHBondContact CA-O 2.91Å; L763-T793 HydrophobicContact CD1-CG2 3.86Å; I764-T793 PolarHBondContact N-O 3.01Å
794	L	96.5	Very high	78.6	Confident	61 Å²	61	67 Å²	67	32%	0.319	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.2	176.7	176.6	68.1	0	0	0	110	I764 T778 I782 Y792 V796	I764-L794 HydrophobicContact CB-CD1 3.89Å; I764-L794 HydrophobicContact CG2-CD1 3.9Å; I764-L794 CarbonylContact O-C 3.5Å; I764-L794 WeakPolarHBondContact O-CA 3.02Å; T778-L794 HydrophobicContact CG2-CD1 3.89Å; I782-L794 HydrophobicContact CD1-CB 4.46Å; I782-L794 HydrophobicContact CD1-CD1 4Å; I782-L794 HydrophobicContact CD1-CD2 3.67Å; I782-L794 HydrophobicContact CD1-CG 4.24Å; Y792-L794 HydrophobicContact CD2-CB 4.28Å; Y792-L794 HydrophobicContact CE2-CB 4.09Å; L794-V796 HydrophobicContact CD1-CG2 4.04Å; L794-V796 HydrophobicContact CD2-CG2 3.4Å; L794-V796 VanDerWaalsContact CD2-CG2 3.4Å; L794-V796 HydrophobicContact CG-CG2 3.57Å
795	Q	95.5	Very high	75.8	Confident	69 Å²	69	68.6 Å²	68.6	32%	0.322	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	105.3	168.1	-172.8	176.8	-8	0	0	109.2	L763 I764 I765 H766	L763-Q795 HydrophobicContact CD1-CB 4.42Å; I764-Q795 PolarHBondContact O-N 3.15Å; I765-Q795 WeakPolarHBondContact CA-O 3.4Å; I765-Q795 HydrophobicContact CG1-CB 4.18Å; H766-Q795 PolarHBondContact N-O 2.74Å
796	V	91.3	Very high	73.1	Confident	38 Å²	38	68.7 Å²	68.7	23%	0.23	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	146.4	175	-174.1	0	0	0	0	109.8	H766 T768 F775 L794 F798	H766-V796 WeakPolarHBondContact O-CA 3.34Å; T768-V796 HydrophobicContact CG2-CG1 3.28Å; F775-V796 HydrophobicContact CE2-CG1 4.46Å; F775-V796 HydrophobicContact CE2-CG2 4.13Å; F775-V796 HydrophobicContact CZ-CG2 4.29Å; L794-V796 HydrophobicContact CD1-CG2 4.04Å; L794-V796 HydrophobicContact CD2-CG2 3.4Å; L794-V796 VanDerWaalsContact CD2-CG2 3.4Å; L794-V796 HydrophobicContact CG-CG2 3.57Å; V796-F798 HydrophobicContact CB-CE2 4.27Å; V796-F798 HydrophobicContact CB-CZ 4.01Å; V796-F798 HydrophobicContact CG1-CD1 4.25Å; V796-F798 HydrophobicContact CG1-CE1 3.73Å; V796-F798 HydrophobicContact CG1-CE2 4.15Å; V796-F798 HydrophobicContact CG1-CZ 3.67Å
797	S	81.6	Confident	70.4	Confident	5 Å²	5	65.8 Å²	65.8	4%	0.035	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.3	165.5	-179.5	0	0	0	0	112.4	H766 P767 T768 F806	H766-S797 PolarHBondContact O-N 3.43Å; P767-S797 CarbonylContact C-O 3.56Å; P767-S797 WeakPolarHBondContact CA-O 3.25Å; T768-S797 PolarHBondContact N-O 3.28Å; T768-S797 PolarHBondContact OG1-O 3.47Å; S797-F806 VanDerWaalsContact CB-CZ 3.4Å; S797-F806 WeakPolarHBondContact OG-CE2 3.4Å
798	F	75.1	Confident	67.7	Low	107 Å²	107	69.7 Å²	69.7	47%	0.469	34%	0.339	S	S	.	.			trans	-103.1	46.4	-176.6	-53.2	-79.7	0	0	0	110.7	F314 T315 T768 V796	F314-F798 HydrophobicContact CB-CB 4.46Å; F314-F798 HydrophobicContact CB-CD1 3.95Å; F314-F798 AromaticContact CD2-CD1 3.71Å; F314-F798 HydrophobicContact CD2-CD1 3.71Å; F314-F798 HydrophobicContact CD2-CE1 4.2Å; F314-F798 HydrophobicContact CG-CD1 4Å; F314-F798 HydrophobicContact CG-CE1 4.46Å; T315-F798 HydrophobicContact CG2-CB 3.98Å; T315-F798 WeakPolarHBondContact CG2-O 3.26Å; T315-F798 PolarHBondContact OG1-O 2.96Å; T768-F798 HydrophobicContact CG2-CD1 3.52Å; T768-F798 HydrophobicContact CG2-CE1 3.62Å; T768-F798 HydrophobicContact CG2-CG 4.5Å; V796-F798 HydrophobicContact CB-CE2 4.27Å; V796-F798 HydrophobicContact CB-CZ 4.01Å; V796-F798 HydrophobicContact CG1-CD1 4.25Å; V796-F798 HydrophobicContact CG1-CE1 3.73Å; V796-F798 HydrophobicContact CG1-CE2 4.15Å; V796-F798 HydrophobicContact CG1-CZ 3.67Å
799	C	56.9	Low	64.7	Low	46 Å²	46	68.5 Å²	68.5	31%	0.311	34%	0.339	S	S	.	.			trans	-100.3	146	-175.5	-161	0	0	0	0	112.2	C801	C799-C801 HydrophobicContact CB-CB 4.48Å; C799-C801 PolarHBondContact O-N 3.2Å
800	Y	48.3	Very low	61.7	Low	155 Å²	155	65.7 Å²	65.7	61%	0.608	33%	0.326	S	S	*	.	S	Bend	trans	-73.2	27.9	179	-139.4	-89.2	0	0	0	113.5	Y313	Y313-Y800 HydrophobicContact CD1-CD2 4.27Å; Y313-Y800 HydrophobicContact CD1-CE2 4.27Å; Y313-Y800 HydrophobicContact CD2-CE2 4.11Å; Y313-Y800 HydrophobicContact CE1-CD2 4.41Å; Y313-Y800 HydrophobicContact CE1-CE2 4.37Å; Y313-Y800 HydrophobicContact CE2-CE2 4.18Å; Y313-Y800 HydrophobicContact CG-CE2 4.12Å
801	C	39.8	Very low	58.9	Low	34 Å²	34	67.2 Å²	67.2	23%	0.23	33%	0.332	C	S	.	.	S	Bend	trans	-136.4	129.5	-161	-97.3	0	0	0	0	111.1	C799 F805	C799-C801 HydrophobicContact CB-CB 4.48Å; C799-C801 PolarHBondContact O-N 3.2Å; C801-F805 HydrophobicContact CB-CB 3.94Å; C801-F805 HydrophobicContact CB-CD1 4.23Å; C801-F805 HydrophobicContact CB-CG 4.36Å; C801-F805 VanDerWaalsContact SG-CD1 3.51Å
802	S	42.9	Very low	56.2	Low	16 Å²	16	67.1 Å²	67.1	11%	0.112	33%	0.327	C	S	.	.			trans	-49.5	156.8	175.7	48.8	0	0	0	0	112.9	E771 L804 F805 F806	E771-S802 WeakPolarHBondContact OE1-CB 3.39Å; E771-S802 WeakPolarHBondContact OE2-CA 3.43Å; E771-S802 WeakPolarHBondContact OE2-CB 3.22Å; S802-L804 PolarHBondContact O-N 2.97Å; S802-F805 PolarHBondContact O-N 2.87Å; S802-F806 PolarHBondContact O-N 3.07Å
803	C	37.3	Very low	54.3	Low	7 Å²	7	66.8 Å²	66.8	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-16.2	-176.2	-167.1	0	0	0	0	114.1	K693 S719 P767 D770 E771	K693-C803 WeakPolarHBondContact CE-SG 3.27Å; K693-C803 PolarHBondContact NZ-O 2.65Å; K693-C803 VanDerWaalsContact NZ-O 3.11Å; K693-C803 PolarHBondContact NZ-SG 2.64Å; S719-C803 PolarHBondContact OG-SG 2.98Å; S719-C803 VanDerWaalsContact OG-SG 3.34Å; P767-C803 HydrophobicContact CG-CB 4.31Å; D770-C803 VanDerWaalsContact OD2-CB 3.29Å; D770-C803 WeakPolarHBondContact OD2-CB 3.36Å; D770-C803 PolarHBondContact OD2-SG 2.91Å; E771-C803 PolarHBondContact OE2-N 3.45Å
804	L	37.5	Very low	52	Low	90 Å²	90	65.5 Å²	65.5	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-73.8	-42.9	168.1	-99.5	88.6	0	0	0	113.3	Q195 S802	Q195-L804 HydrophobicContact CG-CD1 4.29Å; Q195-L804 HydrophobicContact CG-CD2 4.38Å; S802-L804 PolarHBondContact O-N 2.97Å
805	F	35.8	Very low	49.6	Very low	92 Å²	92	65.8 Å²	65.8	40%	0.404	32%	0.316	S	S	.	.	H	α-helix	trans	-80.1	-32.4	-176.8	-152.7	-73.6	0	0	0	111	C801 S802 M807 K808 T809	C801-F805 HydrophobicContact CB-CB 3.94Å; C801-F805 HydrophobicContact CB-CD1 4.23Å; C801-F805 HydrophobicContact CB-CG 4.36Å; C801-F805 VanDerWaalsContact SG-CD1 3.51Å; S802-F805 PolarHBondContact O-N 2.87Å; F805-M807 VanDerWaalsContact C-N 3.28Å; F805-M807 PolarHBondContact O-N 3.12Å; F805-K808 PolarHBondContact O-N 2.88Å; F805-T809 PolarHBondContact O-OG1 3.37Å
806	F	39	Very low	46.9	Very low	3 Å²	3	65.6 Å²	65.6	1%	0.013	32%	0.316	C	S	.	.	H	α-helix	trans	-55.1	-41.5	170.6	179.5	-119.5	0	0	0	112.6	I765 P767 S797 S802 K808 T809 F810	I765-F806 HydrophobicContact CG2-CE1 3.96Å; I765-F806 HydrophobicContact CG2-CZ 4.42Å; P767-F806 HydrophobicContact CB-CB 4.44Å; P767-F806 HydrophobicContact CB-CD1 3.95Å; P767-F806 HydrophobicContact CB-CE1 4.38Å; P767-F806 HydrophobicContact CB-CG 4.02Å; P767-F806 HydrophobicContact CG-CB 4.48Å; P767-F806 HydrophobicContact CG-CD1 3.79Å; P767-F806 HydrophobicContact CG-CE1 4.37Å; P767-F806 HydrophobicContact CG-CG 4.22Å; S797-F806 VanDerWaalsContact CB-CZ 3.4Å; S797-F806 WeakPolarHBondContact OG-CE2 3.4Å; S802-F806 PolarHBondContact O-N 3.07Å; F806-K808 VanDerWaalsContact C-N 3.31Å; F806-K808 PolarHBondContact O-N 2.96Å; F806-T809 PolarHBondContact O-N 3.5Å; F806-F810 HydrophobicContact CD2-CB 3.58Å; F806-F810 HydrophobicContact CD2-CD2 4.42Å; F806-F810 HydrophobicContact CD2-CG 4.08Å; F806-F810 HydrophobicContact CE2-CB 3.13Å; F806-F810 AromaticContact CE2-CD1 3.83Å; F806-F810 HydrophobicContact CE2-CD1 3.83Å; F806-F810 HydrophobicContact CE2-CD2 4.11Å; F806-F810 AromaticContact CE2-CG 3.44Å; F806-F810 HydrophobicContact CE2-CG 3.44Å; F806-F810 VanDerWaalsContact CE2-CG 3.44Å; F806-F810 HydrophobicContact CZ-CB 3.82Å; F806-F810 HydrophobicContact CZ-CD1 4.4Å; F806-F810 HydrophobicContact CZ-CG 4.31Å; F806-F810 WeakPolarHBondContact O-CB 3.46Å; F806-F810 PolarHBondContact O-N 3.09Å; F806-F810 VanDerWaalsContact O-N 3.12Å
807	M	39.4	Very low	44.1	Very low	37 Å²	37	67.3 Å²	67.3	18%	0.182	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.6	177.1	-65.5	-163	83.3	0	0	115.3	Y691 K693 V718 F805 F811	Y691-M807 WeakPolarHBondContact OH-CE 3.43Å; K693-M807 HydrophobicContact CD-SD 3.58Å; K693-M807 VanDerWaalsContact CD-SD 3.58Å; K693-M807 PolarHBondContact NZ-SD 3.43Å; V718-M807 HydrophobicContact CG1-CE 4.39Å; V718-M807 HydrophobicContact CG1-SD 4.11Å; F805-M807 VanDerWaalsContact C-N 3.28Å; F805-M807 PolarHBondContact O-N 3.12Å; M807-F811 HydrophobicContact CE-CB 4.36Å
808	K	38.3	Very low	41.6	Very low	152 Å²	152	71.5 Å²	71.5	66%	0.661	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-5.8	164.3	-81	-174.8	173.9	177.3	0	113	F805 F806	F805-K808 PolarHBondContact O-N 2.88Å; F806-K808 VanDerWaalsContact C-N 3.31Å; F806-K808 PolarHBondContact O-N 2.96Å
809	T	32.7	Very low	39.2	Very low	77 Å²	77	68.9 Å²	68.9	47%	0.472	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.8	-1.8	-159.7	-30.1	0	0	0	0	115.1	F805 F806	F805-T809 PolarHBondContact O-OG1 3.37Å; F806-T809 PolarHBondContact O-N 3.5Å
810	F	31.5	Very low	37.8	Very low	111 Å²	111	70.7 Å²	70.7	49%	0.487	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.6	-28.6	-166	-119.5	-82.5	0	0	0	116.9	F806 F812	F806-F810 HydrophobicContact CD2-CB 3.58Å; F806-F810 HydrophobicContact CD2-CD2 4.42Å; F806-F810 HydrophobicContact CD2-CG 4.08Å; F806-F810 HydrophobicContact CE2-CB 3.13Å; F806-F810 AromaticContact CE2-CD1 3.83Å; F806-F810 HydrophobicContact CE2-CD1 3.83Å; F806-F810 HydrophobicContact CE2-CD2 4.11Å; F806-F810 AromaticContact CE2-CG 3.44Å; F806-F810 HydrophobicContact CE2-CG 3.44Å; F806-F810 VanDerWaalsContact CE2-CG 3.44Å; F806-F810 HydrophobicContact CZ-CB 3.82Å; F806-F810 HydrophobicContact CZ-CD1 4.4Å; F806-F810 HydrophobicContact CZ-CG 4.31Å; F806-F810 WeakPolarHBondContact O-CB 3.46Å; F806-F810 PolarHBondContact O-N 3.09Å; F806-F810 VanDerWaalsContact O-N 3.12Å; F810-F812 PolarHBondContact N-O 3.33Å
811	F	33.2	Very low	37	Very low	40 Å²	40	63.7 Å²	63.7	18%	0.175	31%	0.31	C	S	.	.			trans	-91.7	118.9	139.2	-92.6	-100.6	0	0	0	104.5	I765 M807	I765-F811 HydrophobicContact CB-CE2 4.09Å; I765-F811 HydrophobicContact CB-CZ 4.49Å; I765-F811 HydrophobicContact CD1-CD2 4.47Å; I765-F811 HydrophobicContact CD1-CE1 3.75Å; I765-F811 HydrophobicContact CD1-CE2 3.61Å; I765-F811 HydrophobicContact CD1-CZ 3.18Å; I765-F811 HydrophobicContact CG1-CE2 3.54Å; I765-F811 HydrophobicContact CG1-CZ 3.52Å; I765-F811 HydrophobicContact CG2-CD2 3.84Å; I765-F811 HydrophobicContact CG2-CE2 3.41Å; I765-F811 VanDerWaalsContact CG2-CE2 3.41Å; I765-F811 HydrophobicContact CG2-CZ 4.27Å; M807-F811 HydrophobicContact CE-CB 4.36Å
812	F	36.1	Very low	36.7	Very low	105 Å²	105	66.4 Å²	66.4	46%	0.461	32%	0.317	S	S	.	.			trans	80.4	0	-170.2	-37.7	-52.6	0	0	0	114.6	V116 F120 W627 F810	V116-F812 HydrophobicContact CG1-CB 3.79Å; V116-F812 HydrophobicContact CG1-CD1 4.29Å; V116-F812 HydrophobicContact CG1-CG 4.47Å; F120-F812 HydrophobicContact CD2-CB 4.36Å; F120-F812 HydrophobicContact CE1-CB 4.24Å; F120-F812 HydrophobicContact CE2-CB 3.31Å; F120-F812 HydrophobicContact CE2-CG 4.1Å; F120-F812 HydrophobicContact CZ-CB 3.22Å; F120-F812 HydrophobicContact CZ-CD2 4.02Å; F120-F812 AromaticContact CZ-CG 3.86Å; F120-F812 HydrophobicContact CZ-CG 3.86Å; W627-F812 HydrophobicContact CB-CD1 3.79Å; W627-F812 HydrophobicContact CB-CD2 4.2Å; W627-F812 HydrophobicContact CB-CE1 3.14Å; W627-F812 HydrophobicContact CB-CE2 3.61Å; W627-F812 HydrophobicContact CB-CG 4.32Å; W627-F812 HydrophobicContact CB-CZ 3.07Å; W627-F812 AromaticContact CD1-CE2 3.51Å; W627-F812 AromaticContact CD1-CZ 3.45Å; W627-F812 VanDerWaalsContact CD1-CZ 3.45Å; W627-F812 HydrophobicContact CD2-CE1 4.38Å; W627-F812 AromaticContact CD2-CZ 3.8Å; W627-F812 HydrophobicContact CD2-CZ 3.8Å; W627-F812 HydrophobicContact CE3-CZ 4.48Å; W627-F812 AromaticContact CG-CE1 3.72Å; W627-F812 HydrophobicContact CG-CE1 3.72Å; W627-F812 AromaticContact CG-CE2 3.64Å; W627-F812 HydrophobicContact CG-CE2 3.64Å; W627-F812 AromaticContact CG-CZ 3.12Å; W627-F812 HydrophobicContact CG-CZ 3.12Å; F810-F812 PolarHBondContact N-O 3.33Å

Retrieved 812 of 812 residues in 230.9 ms (Link to these results)

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