A0A5K4ENG5_SCHMA Loading...

Putative leucine-rich repeat-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ENG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,431 aa.

						>A0A5K4ENG5_SCHMA|A0A5K4ENG5
MSNNNNKEDILESTADNLKRETKETNVMHEMFSDNSRSNQSSSLNESELRTTSSNTVIISFSESDSTSSSSNRGDPSDGDDSDETDSTSSDDDEEEDESAQSNQIADFSGQGFTTVPSIIFHRITITKLNLSNNNLNYLPSEICDMINLQYLDISHNNLRGSTEVPGMNSIDGIPMKNTNESIHRSNKSVDLLNNNNHDHANGKLDHVQLPKDMNRLINLKTLKMSSCDLKFIPKIVFQIISLTKLDISENWTNEIPTAIGNLLELRCLLAKRMGLSTLPIQIINCSKLRTINLYGNEITSLPDEFSRLYKLKALHLDYRHFIKALIKPRKVSKVKMVNFIDSTDEAGDNNITIEVNKPRKSIVAEETAISIAERLDTLLRSGQMKSYHIPAAIFKLRRLTALHLDRCQLNFIPENLTLLKRLRELYLSKNYFRGIPQGLFTLHNTLEYLDLSDNKLDGEEDKSVLLPKDFGAKFQMLKVLKLSSMNLTCLQNGVLCGMIGLELLDLSRNKISQLPDDINSLISLEEFFLSENKLTSLPNTICQLKELRTLDVSYNQLSELPEDLYLLKNIQTSHLYKGLNKSGLWLQGNPLTSIPQSVWKTIDTKHLWKYLEVSEQKALPAQYYLVIFKVIGFLNVQKQIRFELEDKLSNTKPTKIFIIGDKFSGKSTLIKHLMKEGSINTSTQISLPSQLEHFSIDYKSMIQNIPNNVELPLEWSPILINHCSSPNGFKMIFYEITLPQLCDLDHSHSSLCNQHSGLELILPHLLDSNSFYILLFNTNLFIENFQQTVNSICFHLLKLRIYAPGSIIKLLGTHCDQIDPYKSFLQDSINANEIIDEQNHLLETNKSENPLITIQNNESDNNIRSTKSGVFNVLQKHIINTIERLSKCTESFNLPNLYKHEANNKITVLQNISFVNLSLPLSKHPITSSPKNKVHVANQPYLIDIINVDELWSEIEHRINYTCQTSNKDCFIPKSWHSLVVYVRDKLKPYFMVKLDLGSGQNNEDCSSSKIGNNQLTLDKTFFDEMKIDNIEDCLNYYHSIGQFLYFPKHKYLKDYLILHPTVFLTIINGIINPQIITSAYYDMSNSNKSLYLRWYLSAISGYSNESLKEYFSSWDHHKSIPYQLIRCLLPPFGYRSCKSIPSNKPHQQIIQQRRLLPSKQNHHLDVPSHHQVSRFTMRSSAKSKSPINCSKQVETEKDYFNLSVSSVSEPKLSINSVLLLTDLLEAGFKIHNLILVNDHLKNVQLNNPKPYIIYPCIFSDNNSIEFLYSNTTNCIDLTTQYKIKENEYIREIWFPLGRPMGYFNRLSVSLCKVICDQTKFIEFCGSIPDLKYTEKIVFNDSMVKHNTFIVTYDHIKIILEEVTVNGSLFSLSECDILYGIKCIQQTKQKSMPTDNVQTNDIAFNPFQWFIETCNKLNDEAQGIVWFWSK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	29.6	Very low	237 Å²	237	148.5 Å²	148.5	100%	1.167	77%	0.772	S	S	*	*				0	137.7	0	-66.3	166.5	178.4	0	0	107.6
2	S	28.2	Very low	29.2	Very low	100 Å²	100	149.3 Å²	149.3	70%	0.699	77%	0.769	S	S	*	*			cis	174.4	104.3	-33.8	36.1	0	0	0	0	107.9
3	N	30.3	Very low	28.9	Very low	144 Å²	144	145.4 Å²	145.4	77%	0.77	76%	0.763	S	S	*	*			trans	63.4	123.2	153.1	-70.8	26.5	0	0	0	121.2
4	N	32.8	Very low	29.1	Very low	117 Å²	117	145.6 Å²	145.6	63%	0.626	77%	0.773	S	S	*	*				89.9	107.7	121.5	-70.5	23.1	0	0	0	121.5
5	N	32.8	Very low	28.8	Very low	126 Å²	126	141.9 Å²	141.9	67%	0.674	77%	0.772	S	S	*	*				110.6	137.5	110.3	-75.8	9.2	0	0	0	119.1
6	N	33	Very low	28.8	Very low	140 Å²	140	142 Å²	142	75%	0.749	77%	0.772	S	S	*	*			trans	71.3	118.8	162.9	-56.4	-5.9	0	0	0	114.3
7	K	27.3	Very low	28.9	Very low	162 Å²	162	143.2 Å²	143.2	70%	0.704	78%	0.777	S	S	*	*			cis	56.3	131.6	49.4	-71.3	-173.5	162.9	-80.6	0	112.6
8	E	27.4	Very low	28.7	Very low	145 Å²	145	143.7 Å²	143.7	68%	0.678	78%	0.779	S	S	*	*			cis	-162.3	114.1	-9.3	-126.6	156.4	-172.2	0	0	105.6
9	D	26.7	Very low	28.6	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	78%	0.782	S	S	*	*			trans	-156.7	151	-170.2	-119.3	-34.3	0	0	0	114.8
10	I	30.5	Very low	28.6	Very low	116 Å²	116	149.5 Å²	149.5	60%	0.595	78%	0.782	S	S	*	*			trans	60.3	97.1	157.5	-55.8	161.8	0	0	0	117.1	E12	I10-E12 VanDerWaalsContact C-N 3.34Å; I10-E12 HydrophobicContact CG2-CB 3.74Å; I10-E12 HydrophobicContact CG2-CG 3.6Å; I10-E12 PolarHBondContact O-N 2.71Å
11	L	25	Very low	28.6	Very low	194 Å²	194	149.1 Å²	149.1	100%	1.016	78%	0.777	S	S	*	*			trans	-84.8	74	159.9	-88.2	164.6	0	0	0	111
12	E	25.5	Very low	28.3	Very low	158 Å²	158	143.5 Å²	143.5	74%	0.738	76%	0.756	S	S	*	*			trans	-109.3	160	161.1	-78.2	-178.3	148.1	0	0	108.7	I10	I10-E12 VanDerWaalsContact C-N 3.34Å; I10-E12 HydrophobicContact CG2-CB 3.74Å; I10-E12 HydrophobicContact CG2-CG 3.6Å; I10-E12 PolarHBondContact O-N 2.71Å
13	S	24.8	Very low	28.3	Very low	99 Å²	99	146.4 Å²	146.4	69%	0.692	76%	0.756	S	S	*	*			cis	-166.4	146.5	-22.8	56	0	0	0	0	107.8
14	T	31.4	Very low	28.1	Very low	148 Å²	148	146.5 Å²	146.5	91%	0.908	75%	0.751	S	S	*	*			trans	-170.6	115.9	150	38.7	0	0	0	0	108.6
15	A	25.1	Very low	28.1	Very low	91 Å²	91	147.2 Å²	147.2	75%	0.752	76%	0.76	S	S	*	*			trans	-110.5	138.2	161.7	0	0	0	0	0	108.1
16	D	28.3	Very low	27.7	Very low	143 Å²	143	148.3 Å²	148.3	77%	0.765	77%	0.766	S	S	*	*			trans	179.9	111.9	137.4	-100.1	-24.8	0	0	0	111.7
17	N	31.1	Very low	27.2	Very low	163 Å²	163	147.9 Å²	147.9	87%	0.872	77%	0.768	S	S	*	*				179.4	89.6	125.9	-99.2	-67.6	0	0	0	110.4
18	L	25.2	Very low	27	Very low	152 Å²	152	147.3 Å²	147.3	80%	0.796	77%	0.77	S	S	*	*			trans	-80.5	128.7	171.1	-73.6	132.5	0	0	0	110.9
19	K	26.7	Very low	26.8	Very low	193 Å²	193	147.3 Å²	147.3	84%	0.839	77%	0.77	S	S	*	*				173.1	143	120.9	-96.7	156.4	-173.7	166.6	0	115.1
20	R	27.9	Very low	26.6	Very low	209 Å²	209	146.8 Å²	146.8	79%	0.789	76%	0.762	S	S	*	*			trans	71.8	144.2	167.2	-55.7	-167.3	164.8	118	-1.6	117.2
21	E	28.3	Very low	26.1	Very low	143 Å²	143	148.1 Å²	148.1	67%	0.668	77%	0.768	S	S	*	*			cis	-155.3	102.4	-19.8	-112.9	145.6	-153.4	0	0	104.5
22	T	26.4	Very low	26	Very low	119 Å²	119	147.6 Å²	147.6	73%	0.73	76%	0.757	S	S	*	*				60.5	135.6	98.9	59.9	0	0	0	0	116.8
23	K	27.5	Very low	26	Very low	161 Å²	161	144.6 Å²	144.6	70%	0.7	75%	0.754	S	S	*	*			trans	87.6	138.3	170.7	-58.3	177.4	154.5	-76.6	0	115.9
24	E	26.7	Very low	26	Very low	145 Å²	145	146.3 Å²	146.3	68%	0.678	76%	0.755	S	S	*	*			cis	-157.1	138.8	-12.7	-125.5	145.6	-160.3	0	0	111.1
25	T	32.2	Very low	25.6	Very low	132 Å²	132	145.2 Å²	145.2	81%	0.81	74%	0.744	S	S	*	*			trans	-110.6	116.9	168.6	49.5	0	0	0	0	109.6
26	N	24.1	Very low	25.8	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	74%	0.739	S	S	*	*			trans	177.8	158.5	175.8	-96.9	-23.2	0	0	0	108.8
27	V	23.3	Very low	25.6	Very low	130 Å²	130	149.5 Å²	149.5	79%	0.788	74%	0.744	S	S	*	*			cis	-155.3	-179.6	-20.3	99.1	0	0	0	0	108.5
28	M	23.6	Very low	25.4	Very low	151 Å²	151	146.1 Å²	146.1	74%	0.744	73%	0.733	S	S	*	*			trans	-71.6	173.8	179.7	-56.9	-156.7	-62.1	0	0	115.6
29	H	23.2	Very low	25.4	Very low	145 Å²	145	145.7 Å²	145.7	67%	0.671	73%	0.732	S	S	*	*			trans	86.5	132.2	157.6	-86.8	-102.6	0	0	0	120.7
30	E	21.7	Very low	25.4	Very low	141 Å²	141	145.2 Å²	145.2	66%	0.659	73%	0.733	S	S	*	*			trans	80.8	121	137.2	-75.5	174.4	-159.4	0	0	123.8
31	M	20.6	Very low	25.3	Very low	143 Å²	143	140.6 Å²	140.6	70%	0.704	73%	0.732	S	S	*	*				71.8	114.5	127.5	-68.9	-160.9	-164.2	0	0	121.7
32	F	22.7	Very low	25.3	Very low	183 Å²	183	138.7 Å²	138.7	80%	0.803	74%	0.735	S	S	*	*			trans	70.1	129.8	131	-80.9	-71.7	0	0	0	121.1
33	S	25	Very low	25.2	Very low	95 Å²	95	138.2 Å²	138.2	66%	0.664	74%	0.736	S	S	*	*			trans	87.7	139.8	144.8	-58.8	0	0	0	0	119.3
34	D	24.4	Very low	25.2	Very low	135 Å²	135	139 Å²	139	72%	0.722	75%	0.747	S	S	*	*			trans	72.3	140.3	140.7	-76.8	36	0	0	0	120.9
35	N	24.8	Very low	25.1	Very low	125 Å²	125	139 Å²	139	67%	0.668	75%	0.752	S	S	*	*			cis	-156.8	171.5	-23.1	-139.6	-45	0	0	0	111.8
36	S	27.9	Very low	25	Very low	92 Å²	92	142.4 Å²	142.4	64%	0.643	76%	0.759	S	S	*	*			trans	-58.6	146.8	170.8	58.7	0	0	0	0	115.2
37	R	25	Very low	25	Very low	233 Å²	233	140 Å²	140	88%	0.879	75%	0.753	S	S	*	*			trans	-178.1	111.8	140	-94.2	144.3	-169.3	-157.4	2.4	108.3
38	S	26.3	Very low	25	Very low	92 Å²	92	142.9 Å²	142.9	64%	0.643	76%	0.758	S	S	*	*				78.6	114.8	55.9	78.2	0	0	0	0	114.2
39	N	26.2	Very low	25.2	Very low	142 Å²	142	143.9 Å²	143.9	76%	0.759	77%	0.766	S	S	*	*			trans	171.8	114.8	130.4	-80.4	-9.7	0	0	0	106.8
40	Q	25.4	Very low	25	Very low	184 Å²	184	148.6 Å²	148.6	86%	0.86	78%	0.777	S	S	*	*				66.9	98.6	67.9	-72.7	-162.8	-16.2	0	0	114.9
41	S	27.4	Very low	25.1	Very low	112 Å²	112	147.7 Å²	147.7	78%	0.783	78%	0.782	S	S	*	*			trans	-158.9	124.9	135.2	41.8	0	0	0	0	112.3
42	S	27.2	Very low	25.2	Very low	103 Å²	103	146.8 Å²	146.8	72%	0.72	78%	0.784	S	S	*	*			trans	20.8	115.1	153.1	54.8	0	0	0	0	119.9
43	S	24.3	Very low	25.3	Very low	109 Å²	109	143.8 Å²	143.8	76%	0.762	79%	0.786	S	S	*	*				68.6	110.5	56.3	83.6	0	0	0	0	115.7
44	L	27.9	Very low	25.3	Very low	176 Å²	176	144.8 Å²	144.8	92%	0.921	79%	0.793	S	S	*	*			trans	-143.2	129	143.7	-106.1	168.9	0	0	0	107.3
45	N	25.2	Very low	25.4	Very low	146 Å²	146	145.8 Å²	145.8	78%	0.781	80%	0.799	S	S	*	*			trans	-87.8	151.3	172.8	-61.8	-32.9	0	0	0	108.5
46	E	28.3	Very low	25.4	Very low	204 Å²	204	146.3 Å²	146.3	95%	0.953	81%	0.807	S	S	*	*				-143.9	141.5	127.9	-135.6	160.7	-132.2	0	0	110.1
47	S	24.7	Very low	25.5	Very low	98 Å²	98	144.8 Å²	144.8	69%	0.685	79%	0.793	S	S	*	*			trans	-135.3	118.3	-169.6	57.1	0	0	0	0	109.3
48	E	24.6	Very low	25.7	Very low	192 Å²	192	137.8 Å²	137.8	90%	0.897	77%	0.772	S	S	*	*			trans	-176.2	140.8	145.3	-107.7	164	-147.5	0	0	111.3
49	L	25.7	Very low	26.1	Very low	171 Å²	171	136 Å²	136	90%	0.895	76%	0.755	S	S	*	*			trans	148.9	82.5	154.2	-83.9	164.5	0	0	0	110.2
50	R	20.9	Very low	26.5	Very low	244 Å²	244	131.7 Å²	131.7	92%	0.921	74%	0.736	S	S	*	*			trans	-106.7	114.3	162.6	-81.7	-176.8	169.8	-174.9	-2.4	109.2
51	T	23.3	Very low	27.1	Very low	123 Å²	123	125.9 Å²	125.9	76%	0.755	71%	0.708	S	S	*	*			trans	-163.7	138.5	144.7	10.2	0	0	0	0	112
52	T	23	Very low	27.3	Very low	123 Å²	123	123.7 Å²	123.7	76%	0.755	69%	0.693	S	S	*	*	S	Bend	trans	52	104	156.9	52.2	0	0	0	0	120.2
53	S	24.1	Very low	27.3	Very low	120 Å²	120	125.4 Å²	125.4	84%	0.839	69%	0.689	S	S	*	*			trans	57.6	86.7	143.3	60.5	0	0	0	0	120.2
54	S	24.8	Very low	27.6	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	69%	0.691	S	S	*	*			trans	-166.3	160.1	150	50	0	0	0	0	112.2
55	N	25.8	Very low	27.5	Very low	157 Å²	157	125.7 Å²	125.7	84%	0.84	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-56.9	138.7	-172.9	-55.3	-9.7	0	0	0	114.5
56	T	25.2	Very low	27.7	Very low	136 Å²	136	123.4 Å²	123.4	83%	0.834	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-81.7	116.4	171.5	-42.8	0	0	0	0	110.4
57	V	30.4	Very low	27.8	Very low	60 Å²	60	119.9 Å²	119.9	36%	0.364	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-97.1	125.9	177.3	177.7	0	0	0	0	110.2	I59 F113	V57-I59 HydrophobicContact CG1-CG1 4.16Å; V57-F113 HydrophobicContact CG1-CZ 4.05Å; V57-F113 HydrophobicContact CG2-CE1 3.93Å; V57-F113 HydrophobicContact CG2-CZ 3.93Å
58	I	30	Very low	28	Very low	85 Å²	85	120.4 Å²	120.4	44%	0.436	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-78.8	118.4	167	-58.6	178.1	0	0	0	107.9	L1332 H1356	I58-L1332 HydrophobicContact CD1-CB 4.47Å; I58-L1332 WeakPolarHBondContact CD1-O 3.09Å; I58-H1356 WeakPolarHBondContact CG2-NE2 3.41Å
59	I	34.9	Very low	28.4	Very low	55 Å²	55	116 Å²	116	28%	0.282	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-103.9	120.7	178.6	-44.1	175.9	0	0	0	108.9	V57 F61 F108 I119	V57-I59 HydrophobicContact CG1-CG1 4.16Å; I59-F61 HydrophobicContact CB-CE2 4.08Å; I59-F61 HydrophobicContact CG2-CD2 4.03Å; I59-F61 HydrophobicContact CG2-CE1 4.32Å; I59-F61 HydrophobicContact CG2-CE2 3.32Å; I59-F61 HydrophobicContact CG2-CZ 3.49Å; I59-F61 VanDerWaalsContact CG2-CZ 3.49Å; I59-F108 HydrophobicContact CG1-CE1 4.42Å; I59-F108 HydrophobicContact CG2-CE1 3.93Å; I59-F108 HydrophobicContact CG2-CZ 3.8Å; I59-I119 HydrophobicContact CD1-CG2 4.04Å
60	S	34.6	Very low	28.7	Very low	51 Å²	51	113.4 Å²	113.4	36%	0.357	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-94.4	136.6	169.3	55.1	0	0	0	0	110.9	H1356	S60-H1356 WeakPolarHBondContact CB-CE1 3.28Å
61	F	36.2	Very low	29.3	Very low	62 Å²	62	107 Å²	107	27%	0.272	66%	0.664	S	S	.	*			trans	-130.1	139.4	166.3	-63.5	-79.1	0	0	0	106.3	I59 A106 I126	I59-F61 HydrophobicContact CB-CE2 4.08Å; I59-F61 HydrophobicContact CG2-CD2 4.03Å; I59-F61 HydrophobicContact CG2-CE1 4.32Å; I59-F61 HydrophobicContact CG2-CE2 3.32Å; I59-F61 HydrophobicContact CG2-CZ 3.49Å; I59-F61 VanDerWaalsContact CG2-CZ 3.49Å; F61-A106 HydrophobicContact CE1-CB 4.25Å; F61-I126 HydrophobicContact CE1-CD1 4.08Å; F61-I126 HydrophobicContact CE1-CG1 4.35Å
62	S	31.9	Very low	29.7	Very low	67 Å²	67	108.5 Å²	108.5	47%	0.469	67%	0.667	S	S	.	*	B	Isolated β-bridge	trans	-124	137.4	175.5	50.5	0	0	0	0	110
63	E	27.7	Very low	30.3	Very low	139 Å²	139	114.6 Å²	114.6	65%	0.65	68%	0.676	S	S	*	*			trans	-125.5	147.3	171.5	-63.5	-174.7	139.9	0	0	107.2	Q104	E63-Q104 HydrophobicContact CG-CG 4.17Å; E63-Q104 PolarHBondContact OE1-NE2 3.34Å
64	S	30.5	Very low	30.6	Very low	115 Å²	115	111.7 Å²	111.7	80%	0.804	67%	0.665	S	S	*	*			trans	-138.7	105.9	-171.9	60	0	0	0	0	111.7
65	D	25.9	Very low	31	Very low	175 Å²	175	113.5 Å²	113.5	94%	0.936	67%	0.666	S	S	*	*			trans	-79.3	158.7	173	-72.9	-41.4	0	0	0	112.3
66	S	29.8	Very low	31.7	Very low	99 Å²	99	111.8 Å²	111.8	69%	0.692	66%	0.663	S	S	*	*			trans	-151.6	155.6	-178.4	64.1	0	0	0	0	113.6
67	T	29.2	Very low	32.2	Very low	129 Å²	129	110.2 Å²	110.2	79%	0.791	66%	0.658	S	S	*	*			trans	-148.6	110.7	178	54.2	0	0	0	0	113.7
68	S	30.3	Very low	32.5	Very low	109 Å²	109	115.5 Å²	115.5	76%	0.762	68%	0.684	S	S	*	*			trans	42.2	141.7	136.4	56.4	0	0	0	0	122.4
69	S	33	Very low	32.8	Very low	100 Å²	100	115.2 Å²	115.2	70%	0.699	70%	0.702	S	S	*	*			cis	175.1	150.2	4.3	47.5	0	0	0	0	116
70	S	31.7	Very low	32.9	Very low	116 Å²	116	120.3 Å²	120.3	81%	0.811	73%	0.73	S	S	*	*			trans	71.4	159.2	147.3	84.9	0	0	0	0	120
71	S	33.7	Very low	33	Very low	111 Å²	111	125.7 Å²	125.7	78%	0.776	75%	0.754	S	S	*	*			cis	-158	179.6	9	59.1	0	0	0	0	114.2
72	N	32	Very low	32.8	Very low	154 Å²	154	127.1 Å²	127.1	82%	0.824	77%	0.772	S	S	*	*			trans	-111.5	158.9	-162	-66.3	-2.7	0	0	0	119.3
73	R	33.9	Very low	32.9	Very low	250 Å²	250	131 Å²	131	94%	0.943	79%	0.788	S	S	*	*			trans	175.9	172	143	-93.7	148.7	-159.8	-160.5	2.1	109.9
74	G	31.5	Very low	33.3	Very low	60 Å²	60	132.7 Å²	132.7	62%	0.619	80%	0.796	S	S	*	*			cis	151	153.1	4.9	0	0	0	0	0	108.1
75	D	33.5	Very low	33.1	Very low	154 Å²	154	134 Å²	134	82%	0.824	80%	0.799	S	S	*	*			cis	-161.3	173	2.6	-71.4	-57	0	0	0	109.6
76	P	40.9	Very low	33.4	Very low	120 Å²	120	133.6 Å²	133.6	78%	0.779	80%	0.797	S	S	*	*			trans	-112.7	-170.7	-155	43.3	-38.2	0	0	0	119.6
77	S	35.6	Very low	33.2	Very low	104 Å²	104	134 Å²	134	73%	0.727	80%	0.799	S	S	*	*			trans	119.6	147.9	171.1	63.4	0	0	0	0	116
78	D	36.2	Very low	33.2	Very low	171 Å²	171	133.5 Å²	133.5	91%	0.914	80%	0.797	S	S	*	*			cis	-162.7	162.9	-13.8	-95.6	-15.6	0	0	0	110.6
79	G	36.1	Very low	33.1	Very low	78 Å²	78	132.3 Å²	132.3	80%	0.804	79%	0.788	S	S	*	*			trans	153.8	119.6	163.8	0	0	0	0	0	117.9
80	D	35.9	Very low	32.8	Very low	162 Å²	162	132.3 Å²	132.3	87%	0.866	79%	0.788	S	S	*	*			trans	-78.3	153.1	-174	-56	-78	0	0	0	116.6
81	D	37.1	Very low	32.7	Very low	164 Å²	164	132.9 Å²	132.9	88%	0.877	78%	0.782	S	S	*	*				-168.9	166.8	104.1	-121.9	-34.6	0	0	0	113.3
82	S	33	Very low	32.4	Very low	92 Å²	92	133.5 Å²	133.5	64%	0.643	78%	0.777	S	S	*	*			trans	-97.8	148.9	-162	59.5	0	0	0	0	117.5
83	D	34.3	Very low	32.3	Very low	149 Å²	149	133 Å²	133	80%	0.797	77%	0.774	S	S	*	*				177.1	168.3	98	-118.3	-39.4	0	0	0	116.8
84	E	34.5	Very low	32.1	Very low	175 Å²	175	129.1 Å²	129.1	82%	0.818	77%	0.767	S	S	*	*			trans	54.2	76.8	168.2	-65.7	-158.6	162.3	0	0	120.9
85	T	27.7	Very low	31.9	Very low	142 Å²	142	134.9 Å²	134.9	87%	0.871	78%	0.778	S	S	*	*			trans	10.2	116.8	137.6	59.5	0	0	0	0	120.7
86	D	30.9	Very low	32	Very low	166 Å²	166	133 Å²	133	89%	0.888	76%	0.763	S	S	*	*			trans	-146.2	108	140.2	-160.5	5.3	0	0	0	109.7
87	S	25.6	Very low	31.3	Very low	107 Å²	107	134.2 Å²	134.2	75%	0.748	76%	0.764	S	S	*	*			trans	-91.5	113.3	-164.3	60	0	0	0	0	113.4
88	T	29	Very low	31.2	Very low	120 Å²	120	133 Å²	133	74%	0.736	75%	0.747	S	S	*	*			trans	-165.2	127.6	146.3	4.4	0	0	0	0	112
89	S	29.4	Very low	30.8	Very low	83 Å²	83	129.8 Å²	129.8	58%	0.58	74%	0.737	S	S	*	*			trans	10.2	127.3	170.9	57.1	0	0	0	0	120	D91	S89-D91 VanDerWaalsContact C-N 3.3Å; S89-D91 PolarHBondContact O-N 3Å; S89-D91 PolarHBondContact OG-OD1 2.95Å; S89-D91 VanDerWaalsContact OG-OD1 3.13Å
90	S	25.4	Very low	30.4	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	73%	0.734	S	S	*	*			trans	-51.4	94.8	138.7	48.2	0	0	0	0	110.1	D92	S90-D92 VanDerWaalsContact C-N 3.34Å; S90-D92 WeakPolarHBondContact CB-OD2 3.36Å
91	D	31.4	Very low	30.6	Very low	127 Å²	127	130 Å²	130	68%	0.679	73%	0.727	S	S	*	*			trans	-87.7	86.3	149	-64.7	0.6	0	0	0	105	S89	S89-D91 VanDerWaalsContact C-N 3.3Å; S89-D91 PolarHBondContact O-N 3Å; S89-D91 PolarHBondContact OG-OD1 2.95Å; S89-D91 VanDerWaalsContact OG-OD1 3.13Å
92	D	27.2	Very low	30.6	Very low	125 Å²	125	126.9 Å²	126.9	67%	0.668	72%	0.718	S	S	*	*			trans	-72.6	-151.4	161.7	-72.4	-64.4	0	0	0	108.8	S90	S90-D92 VanDerWaalsContact C-N 3.34Å; S90-D92 WeakPolarHBondContact CB-OD2 3.36Å
93	D	28.8	Very low	31.6	Very low	144 Å²	144	124.3 Å²	124.3	77%	0.77	70%	0.697	S	S	*	*			trans	70.5	125.1	166.1	-53	-33.2	0	0	0	117.8
94	E	30.3	Very low	33.1	Very low	168 Å²	168	118.1 Å²	118.1	79%	0.785	66%	0.664	S	S	*	*			trans	68.9	102.9	146.2	-67.7	173	-165.8	0	0	117.4	E96	E94-E96 PolarHBondContact O-N 3.1Å
95	E	28	Very low	35.2	Very low	181 Å²	181	113.3 Å²	113.3	85%	0.846	64%	0.643	S	S	*	*				-42.5	125.4	123.2	-59.1	-170.1	118.5	0	0	107.9	D97	E95-D97 PolarHBondContact O-N 2.93Å
96	E	34.3	Very low	37.7	Very low	113 Å²	113	106.6 Å²	106.6	53%	0.528	60%	0.602	S	S	.	*			trans	-69.8	76.5	172.1	-79.8	176.9	-150.9	0	0	108.4	E94 E98 R267	E94-E96 PolarHBondContact O-N 3.1Å; E96-E98 PolarHBondContact O-N 2.62Å; E96-E98 VanDerWaalsContact O-N 3.11Å; E96-R267 IonicContact OE1-CZ 2.69Å; E96-R267 IonicContact OE1-NH1 3.55Å; E96-R267 PolarHBondContact OE1-NH1 3.01Å; E96-R267 IonicContact OE1-NH2 3.58Å; E96-R267 PolarHBondContact OE1-NH2 3.06Å
97	D	26.5	Very low	40.2	Very low	146 Å²	146	102.3 Å²	102.3	78%	0.781	58%	0.579	S	S	*	*			trans	-48.1	111.9	156.5	-113	-21	0	0	0	106.3	E95 S99	E95-D97 PolarHBondContact O-N 2.93Å; D97-S99 PolarHBondContact O-N 3.03Å
98	E	34.2	Very low	43	Very low	80 Å²	80	97.5 Å²	97.5	37%	0.374	54%	0.544	S	S	.	.			trans	-73.9	76.5	174.4	-73.5	-165.9	142.9	0	0	108.5	E96 A100 K128 K221	E96-E98 PolarHBondContact O-N 2.62Å; E96-E98 VanDerWaalsContact O-N 3.11Å; E98-A100 PolarHBondContact O-N 3.1Å; E98-K128 WeakPolarHBondContact OE2-CE 3.24Å; E98-K128 IonicContact OE2-NZ 2.77Å; E98-K128 PolarHBondContact OE2-NZ 3.26Å; E98-K221 IonicContact OE1-NZ 2.7Å; E98-K221 PolarHBondContact OE1-NZ 2.92Å
99	S	27.2	Very low	45.6	Very low	102 Å²	102	93.3 Å²	93.3	71%	0.713	52%	0.52	S	S	*	.			trans	-41	118.8	-178.2	64.7	0	0	0	0	110.3	D97 Q101	D97-S99 PolarHBondContact O-N 3.03Å; S99-Q101 PolarHBondContact O-N 3.14Å
100	A	28.4	Very low	48	Very low	89 Å²	89	91.4 Å²	91.4	74%	0.736	51%	0.514	S	S	*	.			trans	-55.4	94.2	-153	0	0	0	0	0	115.1	E98	E98-A100 PolarHBondContact O-N 3.1Å
101	Q	38.2	Very low	50.6	Low	155 Å²	155	92.2 Å²	92.2	72%	0.724	51%	0.506	S	S	*	.			trans	-97.1	146.3	151.1	-68	-174	-15.2	0	0	108	S99 N103	S99-Q101 PolarHBondContact O-N 3.14Å; Q101-N103 VanDerWaalsContact C-N 3.27Å; Q101-N103 PolarHBondContact O-N 2.63Å
102	S	39	Very low	52.8	Low	99 Å²	99	87 Å²	87	69%	0.692	48%	0.482	S	S	*	.			trans	-69.8	76.7	-171	41.6	0	0	0	0	113	Q104	S102-Q104 PolarHBondContact O-N 2.95Å
103	N	52.6	Low	55.4	Low	38 Å²	38	82.5 Å²	82.5	20%	0.203	46%	0.457	C	S	.	.			trans	-65.7	87	177	-82.9	-42.1	0	0	0	111.3	Q101 I105 T127	Q101-N103 VanDerWaalsContact C-N 3.27Å; Q101-N103 PolarHBondContact O-N 2.63Å; N103-I105 PolarHBondContact O-N 2.99Å; N103-I105 VanDerWaalsContact O-N 3.09Å; N103-T127 VanDerWaalsContact CA-OG1 3.32Å; N103-T127 WeakPolarHBondContact CA-OG1 3.29Å; N103-T127 WeakPolarHBondContact CB-OG1 3.34Å; N103-T127 WeakPolarHBondContact OD1-CB 3.39Å; N103-T127 PolarHBondContact OD1-OG1 3.01Å
104	Q	66.8	Low	57.9	Low	19 Å²	19	79.5 Å²	79.5	9%	0.089	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	114.8	169.5	-71.9	-172.9	3.1	0	0	109.7	E63 S102 T125 I126 T127	E63-Q104 HydrophobicContact CG-CG 4.17Å; E63-Q104 PolarHBondContact OE1-NE2 3.34Å; S102-Q104 PolarHBondContact O-N 2.95Å; Q104-T125 VanDerWaalsContact OE1-CB 3.28Å; Q104-T125 PolarHBondContact OE1-OG1 3.1Å; Q104-I126 WeakPolarHBondContact O-CA 3.38Å; Q104-T127 PolarHBondContact O-N 3.01Å; Q104-T127 VanDerWaalsContact O-N 3.07Å
105	I	77.1	Confident	60.4	Low	75 Å²	75	74.6 Å²	74.6	39%	0.385	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.8	172.5	-52.6	-178.9	0	0	0	108.2	N103 K128	N103-I105 PolarHBondContact O-N 2.99Å; N103-I105 VanDerWaalsContact O-N 3.09Å; I105-K128 HydrophobicContact CG1-CB 4.26Å; I105-K128 HydrophobicContact CG1-CD 4.33Å; I105-K128 HydrophobicContact CG2-CB 4.34Å
106	A	82.2	Confident	63	Low	0 Å²	0	66.5 Å²	66.5	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.6	171.6	0	0	0	0	0	109.6	F61 F108 I126 K128 L129 N130	F61-A106 HydrophobicContact CE1-CB 4.25Å; A106-F108 HydrophobicContact CB-CD2 4.41Å; A106-F108 HydrophobicContact CB-CE2 3.82Å; A106-I126 HydrophobicContact CB-CD1 3.9Å; A106-I126 HydrophobicContact CB-CG1 4.21Å; A106-I126 HydrophobicContact CB-CG2 3.86Å; A106-K128 PolarHBondContact N-O 3.06Å; A106-L129 HydrophobicContact CB-CD1 4.21Å; A106-L129 WeakPolarHBondContact O-CA 3.38Å; A106-N130 PolarHBondContact O-N 3.05Å
107	D	83.4	Confident	65	Low	76 Å²	76	62.4 Å²	62.4	41%	0.406	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.8	178.7	-156.3	-43.1	0	0	0	110.6	S109 N130	D107-S109 VanDerWaalsContact OD1-CB 3.26Å; D107-S109 WeakPolarHBondContact OD1-CB 3.34Å; D107-S109 PolarHBondContact OD1-N 3.13Å; D107-S109 PolarHBondContact OD1-OG 3.26Å; D107-N130 HydrophobicContact CB-CB 4.38Å; D107-N130 VanDerWaalsContact CG-ND2 3.29Å; D107-N130 PolarHBondContact OD1-ND2 3.08Å; D107-N130 VanDerWaalsContact OD1-ND2 3.14Å; D107-N130 PolarHBondContact OD2-ND2 3.03Å
108	F	82.8	Confident	67.3	Low	7 Å²	7	59.4 Å²	59.4	3%	0.031	36%	0.362	C	S	.	.			trans	-124	20	179	-66.3	-76.6	0	0	0	110.8	I59 A106 F113 I120 L129 N130 L131 N134	I59-F108 HydrophobicContact CG1-CE1 4.42Å; I59-F108 HydrophobicContact CG2-CE1 3.93Å; I59-F108 HydrophobicContact CG2-CZ 3.8Å; A106-F108 HydrophobicContact CB-CD2 4.41Å; A106-F108 HydrophobicContact CB-CE2 3.82Å; F108-F113 HydrophobicContact CB-CD2 4.29Å; F108-F113 HydrophobicContact CB-CE2 3.89Å; F108-F113 AromaticContact CD1-CE2 3.93Å; F108-F113 HydrophobicContact CD1-CE2 3.93Å; F108-F113 HydrophobicContact CD1-CZ 4.3Å; F108-F113 HydrophobicContact CG-CE2 4.34Å; F108-I120 HydrophobicContact CD2-CG2 4.46Å; F108-I120 HydrophobicContact CE1-CG2 4.38Å; F108-I120 HydrophobicContact CE2-CB 4.46Å; F108-I120 HydrophobicContact CE2-CG2 3.5Å; F108-I120 HydrophobicContact CZ-CG2 3.46Å; F108-I120 VanDerWaalsContact CZ-CG2 3.46Å; F108-L129 HydrophobicContact CD2-CD1 3.79Å; F108-L129 HydrophobicContact CE2-CD1 4.1Å; F108-N130 WeakPolarHBondContact CA-O 3.45Å; F108-N130 PolarHBondContact N-O 3.11Å; F108-L131 HydrophobicContact CB-CD2 4.02Å; F108-L131 HydrophobicContact CD2-CD2 4.47Å; F108-N134 PolarHBondContact O-ND2 3.02Å
109	S	84.1	Confident	69.1	Low	31 Å²	31	60.3 Å²	60.3	22%	0.217	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	149.6	-176.9	61.1	0	0	0	0	113.3	D107 Q111 N130 S132	D107-S109 VanDerWaalsContact OD1-CB 3.26Å; D107-S109 WeakPolarHBondContact OD1-CB 3.34Å; D107-S109 PolarHBondContact OD1-N 3.13Å; D107-S109 PolarHBondContact OD1-OG 3.26Å; S109-Q111 PolarHBondContact O-N 3.24Å; S109-Q111 PolarHBondContact O-NE2 2.98Å; S109-N130 WeakPolarHBondContact CB-ND2 3.07Å; S109-N130 PolarHBondContact OG-ND2 3.3Å; S109-S132 CarbonylContact C-O 3.22Å; S109-S132 WeakPolarHBondContact CA-O 3.27Å; S109-S132 WeakPolarHBondContact CB-O 3.49Å; S109-S132 WeakPolarHBondContact CB-OG 3.45Å
110	G	80.1	Confident	71.4	Confident	44 Å²	44	55.5 Å²	55.5	45%	0.454	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	4.4	175.3	0	0	0	0	0	116.3	G112 S132 N133	G110-G112 VanDerWaalsContact C-N 3.33Å; G110-G112 PolarHBondContact O-N 2.99Å; G110-S132 PolarHBondContact N-O 3.02Å; G110-N133 VanDerWaalsContact CA-O 3.24Å; G110-N133 WeakPolarHBondContact CA-O 3.25Å; G110-N133 PolarHBondContact N-O 3.11Å
111	Q	79.6	Confident	73.6	Confident	118 Å²	118	52.2 Å²	52.2	55%	0.551	30%	0.304	S	S	*	.	S	Bend	trans	-85.7	-0.9	-173.6	-54.6	-52.1	-61.8	0	0	114	S109 F113 N134	S109-Q111 PolarHBondContact O-N 3.24Å; S109-Q111 PolarHBondContact O-NE2 2.98Å; Q111-F113 VanDerWaalsContact C-N 3.3Å; Q111-F113 HydrophobicContact CB-CD2 3.63Å; Q111-F113 HydrophobicContact CB-CE2 3.42Å; Q111-F113 VanDerWaalsContact CB-CE2 3.42Å; Q111-F113 HydrophobicContact CB-CG 4.42Å; Q111-F113 HydrophobicContact CB-CZ 4.08Å; Q111-F113 HydrophobicContact CG-CD2 4.32Å; Q111-F113 HydrophobicContact CG-CE2 3.76Å; Q111-F113 HydrophobicContact CG-CZ 4.48Å; Q111-F113 PolarHBondContact O-N 3.2Å; Q111-N134 PolarHBondContact N-OD1 3.08Å
112	G	78.7	Confident	75	Confident	16 Å²	16	52.2 Å²	52.2	17%	0.165	30%	0.303	C	S	.	.			trans	73.2	12.9	179.8	0	0	0	0	0	115.4	G110 T114 N134 N135	G110-G112 VanDerWaalsContact C-N 3.33Å; G110-G112 PolarHBondContact O-N 2.99Å; G112-T114 PolarHBondContact O-N 2.89Å; G112-N134 PolarHBondContact N-OD1 3.05Å; G112-N135 PolarHBondContact O-ND2 3.12Å
113	F	80.7	Confident	76.4	Confident	32 Å²	32	52.2 Å²	52.2	14%	0.14	29%	0.288	C	S	.	.			trans	-53.8	128.3	-177.1	-74.6	-61.9	0	0	0	112.6	V57 F108 Q111 P117 N134 N135 L136	V57-F113 HydrophobicContact CG1-CZ 4.05Å; V57-F113 HydrophobicContact CG2-CE1 3.93Å; V57-F113 HydrophobicContact CG2-CZ 3.93Å; F108-F113 HydrophobicContact CB-CD2 4.29Å; F108-F113 HydrophobicContact CB-CE2 3.89Å; F108-F113 AromaticContact CD1-CE2 3.93Å; F108-F113 HydrophobicContact CD1-CE2 3.93Å; F108-F113 HydrophobicContact CD1-CZ 4.3Å; F108-F113 HydrophobicContact CG-CE2 4.34Å; Q111-F113 VanDerWaalsContact C-N 3.3Å; Q111-F113 HydrophobicContact CB-CD2 3.63Å; Q111-F113 HydrophobicContact CB-CE2 3.42Å; Q111-F113 VanDerWaalsContact CB-CE2 3.42Å; Q111-F113 HydrophobicContact CB-CG 4.42Å; Q111-F113 HydrophobicContact CB-CZ 4.08Å; Q111-F113 HydrophobicContact CG-CD2 4.32Å; Q111-F113 HydrophobicContact CG-CE2 3.76Å; Q111-F113 HydrophobicContact CG-CZ 4.48Å; Q111-F113 PolarHBondContact O-N 3.2Å; F113-P117 HydrophobicContact CD1-CG 4.1Å; F113-P117 HydrophobicContact CE1-CG 3.67Å; F113-P117 HydrophobicContact CE2-CG 4.43Å; F113-P117 HydrophobicContact CZ-CG 3.87Å; F113-N134 HydrophobicContact CB-CB 4.29Å; F113-N134 PolarHBondContact N-OD1 3.12Å; F113-N135 CarbonylContact O-C 3.51Å; F113-N135 VanDerWaalsContact O-CA 3.3Å; F113-N135 WeakPolarHBondContact O-CA 3.49Å; F113-N135 PolarHBondContact O-N 2.75Å; F113-L136 HydrophobicContact CB-CD2 4.08Å; F113-L136 WeakPolarHBondContact O-CD2 3.27Å; F113-L136 PolarHBondContact O-N 2.94Å; F113-L136 VanDerWaalsContact O-N 3.17Å
114	T	81.5	Confident	77.1	Confident	81 Å²	81	55.2 Å²	55.2	50%	0.497	30%	0.303	S	S	.	.	S	Bend	trans	-89.8	-23.1	171.5	51.3	0	0	0	0	112.8	G112 N135	G112-T114 PolarHBondContact O-N 2.89Å; T114-N135 HydrophobicContact CG2-CB 3.93Å
115	T	82.8	Confident	77.6	Confident	64 Å²	64	57.7 Å²	57.7	39%	0.393	32%	0.32	S	S	.	.	S	Bend	trans	-136.2	151.9	174.2	58.8	0	0	0	0	110.2	L136 Y138	T115-L136 VanDerWaalsContact C-CD2 3.45Å; T115-Y138 HydrophobicContact CG2-CE1 3.86Å
116	V	82.4	Confident	77.8	Confident	11 Å²	11	54.2 Å²	54.2	7%	0.067	30%	0.302	C	S	.	.			trans	-78.6	128.6	179.2	-175.2	0	0	0	0	109.9	S118 I120 F121 L131 L136 L139 P140	V116-S118 PolarHBondContact O-N 2.94Å; V116-I120 HydrophobicContact CG1-CD1 3.42Å; V116-I120 VanDerWaalsContact CG1-CD1 3.42Å; V116-I120 HydrophobicContact CG1-CG1 4.23Å; V116-F121 HydrophobicContact CB-CZ 3.97Å; V116-F121 HydrophobicContact CG1-CE1 4.03Å; V116-F121 HydrophobicContact CG1-CZ 3.55Å; V116-L131 HydrophobicContact CG1-CD1 4.23Å; V116-L131 HydrophobicContact CG1-CD2 4.03Å; V116-L131 HydrophobicContact CG2-CD1 4.1Å; V116-L131 HydrophobicContact CG2-CD2 4.4Å; V116-L136 HydrophobicContact CG2-CD1 3.78Å; V116-L136 HydrophobicContact CG2-CD2 3.76Å; V116-L136 HydrophobicContact CG2-CG 4.42Å; V116-L139 HydrophobicContact CG2-CD2 3.88Å; V116-P140 HydrophobicContact CB-CG 4.13Å
117	P	76.1	Confident	78.1	Confident	28 Å²	28	54.9 Å²	54.9	18%	0.182	31%	0.306	C	S	.	.			trans	-62	124	-177.4	-25.1	34.9	0	0	0	113.7	F113 I119 I120	F113-P117 HydrophobicContact CD1-CG 4.1Å; F113-P117 HydrophobicContact CE1-CG 3.67Å; F113-P117 HydrophobicContact CE2-CG 4.43Å; F113-P117 HydrophobicContact CZ-CG 3.87Å; P117-I119 HydrophobicContact CB-CG2 4.23Å; P117-I119 PolarHBondContact O-N 3.23Å; P117-I120 HydrophobicContact CB-CG2 4.48Å; P117-I120 WeakPolarHBondContact O-CG1 3.46Å; P117-I120 PolarHBondContact O-N 3.3Å; P117-I120 VanDerWaalsContact O-N 3.16Å
118	S	75.8	Confident	78.4	Confident	83 Å²	83	53.8 Å²	53.8	58%	0.58	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.8	-175.1	55.8	0	0	0	0	115.4	V116 I120 H122	V116-S118 PolarHBondContact O-N 2.94Å; S118-I120 PolarHBondContact O-N 3.16Å; S118-H122 PolarHBondContact O-ND1 3.03Å
119	I	70.8	Confident	78.8	Confident	99 Å²	99	53.5 Å²	53.5	51%	0.508	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22	177.2	-162.3	166.3	0	0	0	113.2	I59 P117	I59-I119 HydrophobicContact CD1-CG2 4.04Å; P117-I119 HydrophobicContact CB-CG2 4.23Å; P117-I119 PolarHBondContact O-N 3.23Å
120	I	76.8	Confident	79.1	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-34.2	-177.1	80.7	175.4	0	0	0	112.5	F108 V116 P117 S118 H122 R123 I126 L129 M146	F108-I120 HydrophobicContact CD2-CG2 4.46Å; F108-I120 HydrophobicContact CE1-CG2 4.38Å; F108-I120 HydrophobicContact CE2-CB 4.46Å; F108-I120 HydrophobicContact CE2-CG2 3.5Å; F108-I120 HydrophobicContact CZ-CG2 3.46Å; F108-I120 VanDerWaalsContact CZ-CG2 3.46Å; V116-I120 HydrophobicContact CG1-CD1 3.42Å; V116-I120 VanDerWaalsContact CG1-CD1 3.42Å; V116-I120 HydrophobicContact CG1-CG1 4.23Å; P117-I120 HydrophobicContact CB-CG2 4.48Å; P117-I120 WeakPolarHBondContact O-CG1 3.46Å; P117-I120 PolarHBondContact O-N 3.3Å; P117-I120 VanDerWaalsContact O-N 3.16Å; S118-I120 PolarHBondContact O-N 3.16Å; I120-H122 PolarHBondContact O-N 3.04Å; I120-R123 PolarHBondContact O-N 3.35Å; I120-I126 HydrophobicContact CB-CD1 4.43Å; I120-L129 HydrophobicContact CD1-CD1 3.99Å; I120-L129 HydrophobicContact CD1-CD2 3.8Å; I120-M146 HydrophobicContact CD1-SD 4.46Å; I120-M146 HydrophobicContact CG1-SD 4.3Å
121	F	74.6	Confident	79.6	Confident	20 Å²	20	51 Å²	51	9%	0.088	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.2	-175.9	-49.1	-51.8	0	0	0	112.8	V116 R123 P140 E142 I143 M146	V116-F121 HydrophobicContact CB-CZ 3.97Å; V116-F121 HydrophobicContact CG1-CE1 4.03Å; V116-F121 HydrophobicContact CG1-CZ 3.55Å; F121-R123 VanDerWaalsContact C-N 3.27Å; F121-R123 PolarHBondContact O-N 3.28Å; F121-P140 HydrophobicContact CE1-CG 4.18Å; F121-P140 HydrophobicContact CE2-CG 3.76Å; F121-P140 HydrophobicContact CZ-CB 4.45Å; F121-P140 HydrophobicContact CZ-CG 3.31Å; F121-E142 HydrophobicContact CB-CB 4.04Å; F121-E142 HydrophobicContact CD1-CB 4.12Å; F121-E142 WeakPolarHBondContact CD1-O 3.29Å; F121-E142 HydrophobicContact CD2-CB 3.5Å; F121-E142 HydrophobicContact CD2-CG 4.42Å; F121-E142 HydrophobicContact CE2-CB 4Å; F121-E142 HydrophobicContact CG-CB 3.59Å; F121-I143 HydrophobicContact CD1-CB 4.41Å; F121-I143 HydrophobicContact CE1-CB 3.91Å; F121-I143 HydrophobicContact CE1-CG1 4.23Å; F121-M146 HydrophobicContact CD1-CG 4.26Å; F121-M146 HydrophobicContact CD1-SD 3.83Å; F121-M146 HydrophobicContact CE1-SD 4.35Å
122	H	66.5	Low	80.1	Confident	154 Å²	154	45.8 Å²	45.8	71%	0.713	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10	176	-63	82.3	0	0	0	113	S118 I120	S118-H122 PolarHBondContact O-ND1 3.03Å; I120-H122 PolarHBondContact O-N 3.04Å
123	R	68.6	Low	80.5	Confident	100 Å²	100	48 Å²	48	38%	0.377	26%	0.255	S	S	.	.			trans	-101.3	81.4	179.4	-73.1	-174	170	-123.6	-1.4	111.7	I120 F121 T125 I126	I120-R123 PolarHBondContact O-N 3.35Å; F121-R123 VanDerWaalsContact C-N 3.27Å; F121-R123 PolarHBondContact O-N 3.28Å; R123-T125 PolarHBondContact O-N 2.91Å; R123-I126 HydrophobicContact CB-CD1 3.68Å; R123-I126 HydrophobicContact CB-CG1 3.94Å; R123-I126 PolarHBondContact O-N 3.01Å; R123-I126 VanDerWaalsContact O-N 3.1Å
124	I	66.9	Low	80.9	Confident	101 Å²	101	46.8 Å²	46.8	52%	0.518	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.7	176.9	-48.7	176	0	0	0	112.5	N148	I124-N148 WeakPolarHBondContact O-CB 3.44Å; I124-N148 PolarHBondContact O-ND2 3.26Å
125	T	78	Confident	81	Confident	71 Å²	71	46 Å²	46	44%	0.436	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.7	176.4	46.4	0	0	0	0	114.9	Q104 R123 T127	Q104-T125 VanDerWaalsContact OE1-CB 3.28Å; Q104-T125 PolarHBondContact OE1-OG1 3.1Å; R123-T125 PolarHBondContact O-N 2.91Å; T125-T127 PolarHBondContact O-N 3.22Å
126	I	82.2	Confident	81.1	Confident	1 Å²	1	43 Å²	43	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	117.4	-176.8	-62	168	0	0	0	110.1	F61 Q104 A106 I120 R123 L129 M146 L149	F61-I126 HydrophobicContact CE1-CD1 4.08Å; F61-I126 HydrophobicContact CE1-CG1 4.35Å; Q104-I126 WeakPolarHBondContact O-CA 3.38Å; A106-I126 HydrophobicContact CB-CD1 3.9Å; A106-I126 HydrophobicContact CB-CG1 4.21Å; A106-I126 HydrophobicContact CB-CG2 3.86Å; I120-I126 HydrophobicContact CB-CD1 4.43Å; R123-I126 HydrophobicContact CB-CD1 3.68Å; R123-I126 HydrophobicContact CB-CG1 3.94Å; R123-I126 PolarHBondContact O-N 3.01Å; R123-I126 VanDerWaalsContact O-N 3.1Å; I126-L129 HydrophobicContact CG2-CB 4.36Å; I126-M146 HydrophobicContact CB-CE 3.71Å; I126-M146 HydrophobicContact CD1-CE 3.91Å; I126-M146 HydrophobicContact CG1-CE 4.38Å; I126-M146 HydrophobicContact CG2-CE 3.91Å; I126-L149 HydrophobicContact CG2-CD1 4.27Å
127	T	86.8	Confident	81.1	Confident	15 Å²	15	44.3 Å²	44.3	9%	0.092	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-19.6	177.5	64.5	0	0	0	0	113.1	N103 Q104 T125 Q150 Y151	N103-T127 VanDerWaalsContact CA-OG1 3.32Å; N103-T127 WeakPolarHBondContact CA-OG1 3.29Å; N103-T127 WeakPolarHBondContact CB-OG1 3.34Å; N103-T127 WeakPolarHBondContact OD1-CB 3.39Å; N103-T127 PolarHBondContact OD1-OG1 3.01Å; Q104-T127 PolarHBondContact O-N 3.01Å; Q104-T127 VanDerWaalsContact O-N 3.07Å; T125-T127 PolarHBondContact O-N 3.22Å; T127-Q150 WeakPolarHBondContact O-CA 3.34Å; T127-Q150 PolarHBondContact O-N 3.2Å; T127-Y151 PolarHBondContact O-N 2.97Å; T127-Y151 VanDerWaalsContact O-N 3.09Å
128	K	89.5	Confident	81.6	Confident	53 Å²	53	47.8 Å²	47.8	23%	0.23	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	117.6	178.5	-52.4	-173.5	-177.8	174.1	0	110.4	E98 I105 A106 Y151	E98-K128 WeakPolarHBondContact OE2-CE 3.24Å; E98-K128 IonicContact OE2-NZ 2.77Å; E98-K128 PolarHBondContact OE2-NZ 3.26Å; I105-K128 HydrophobicContact CG1-CB 4.26Å; I105-K128 HydrophobicContact CG1-CD 4.33Å; I105-K128 HydrophobicContact CG2-CB 4.34Å; A106-K128 PolarHBondContact N-O 3.06Å; K128-Y151 HydrophobicContact CB-CD1 4.38Å; K128-Y151 HydrophobicContact CB-CG 4.49Å
129	L	91.5	Very high	82.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.2	-176.6	178.9	58.4	0	0	0	110.8	A106 F108 I120 I126 L131 I143 M146 L149 Y151 L152 D153	A106-L129 HydrophobicContact CB-CD1 4.21Å; A106-L129 WeakPolarHBondContact O-CA 3.38Å; F108-L129 HydrophobicContact CD2-CD1 3.79Å; F108-L129 HydrophobicContact CE2-CD1 4.1Å; I120-L129 HydrophobicContact CD1-CD1 3.99Å; I120-L129 HydrophobicContact CD1-CD2 3.8Å; I126-L129 HydrophobicContact CG2-CB 4.36Å; L129-L131 HydrophobicContact CD1-CD2 4.43Å; L129-L131 HydrophobicContact CD1-CG 4.19Å; L129-L131 HydrophobicContact CD2-CD1 3.99Å; L129-L131 HydrophobicContact CD2-CG 4.41Å; L129-L131 HydrophobicContact CG-CD1 4.17Å; L129-L131 HydrophobicContact CG-CG 4.07Å; L129-I143 HydrophobicContact CD2-CD1 4.12Å; L129-I143 HydrophobicContact CD2-CG1 4.4Å; L129-M146 HydrophobicContact CD2-CE 4.29Å; L129-M146 HydrophobicContact CD2-SD 4.11Å; L129-L149 HydrophobicContact CB-CD1 3.59Å; L129-L149 HydrophobicContact CB-CD2 4.38Å; L129-L149 HydrophobicContact CD2-CD2 4.47Å; L129-Y151 PolarHBondContact N-O 3.29Å; L129-L152 HydrophobicContact CB-CD1 4.26Å; L129-L152 HydrophobicContact CD2-CD1 4.04Å; L129-L152 HydrophobicContact CG-CD1 4.12Å; L129-L152 WeakPolarHBondContact O-CA 3.2Å; L129-D153 PolarHBondContact O-N 2.86Å
130	N	90.3	Very high	82.8	Confident	23 Å²	23	40.1 Å²	40.1	12%	0.123	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.1	173.6	-177.1	11.6	0	0	0	110.1	A106 D107 F108 S109 S132	A106-N130 PolarHBondContact O-N 3.05Å; D107-N130 HydrophobicContact CB-CB 4.38Å; D107-N130 VanDerWaalsContact CG-ND2 3.29Å; D107-N130 PolarHBondContact OD1-ND2 3.08Å; D107-N130 VanDerWaalsContact OD1-ND2 3.14Å; D107-N130 PolarHBondContact OD2-ND2 3.03Å; F108-N130 WeakPolarHBondContact CA-O 3.45Å; F108-N130 PolarHBondContact N-O 3.11Å; S109-N130 WeakPolarHBondContact CB-ND2 3.07Å; S109-N130 PolarHBondContact OG-ND2 3.3Å; N130-S132 VanDerWaalsContact OD1-CB 3.32Å; N130-S132 WeakPolarHBondContact OD1-CB 3.39Å; N130-S132 PolarHBondContact OD1-N 2.96Å; N130-S132 PolarHBondContact OD1-OG 3.21Å
131	L	90.7	Very high	83.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.			trans	-121	13.8	178	-69.4	167.1	0	0	0	111.2	F108 V116 L129 N134 L136 L139 I143 L152 D153 I154 N157	F108-L131 HydrophobicContact CB-CD2 4.02Å; F108-L131 HydrophobicContact CD2-CD2 4.47Å; V116-L131 HydrophobicContact CG1-CD1 4.23Å; V116-L131 HydrophobicContact CG1-CD2 4.03Å; V116-L131 HydrophobicContact CG2-CD1 4.1Å; V116-L131 HydrophobicContact CG2-CD2 4.4Å; L129-L131 HydrophobicContact CD1-CD2 4.43Å; L129-L131 HydrophobicContact CD1-CG 4.19Å; L129-L131 HydrophobicContact CD2-CD1 3.99Å; L129-L131 HydrophobicContact CD2-CG 4.41Å; L129-L131 HydrophobicContact CG-CD1 4.17Å; L129-L131 HydrophobicContact CG-CG 4.07Å; L131-N134 PolarHBondContact O-ND2 3.08Å; L131-L136 HydrophobicContact CB-CD1 4.03Å; L131-L136 HydrophobicContact CD1-CD1 4.41Å; L131-L136 HydrophobicContact CD2-CD1 4.47Å; L131-L139 HydrophobicContact CD1-CD2 4.16Å; L131-I143 HydrophobicContact CD1-CD1 4.26Å; L131-L152 HydrophobicContact CD1-CD1 4.29Å; L131-D153 WeakPolarHBondContact CA-O 3.42Å; L131-D153 PolarHBondContact N-O 3.31Å; L131-I154 HydrophobicContact CB-CG2 4.18Å; L131-I154 HydrophobicContact CD1-CG2 4.16Å; L131-N157 PolarHBondContact O-ND2 3.14Å
132	S	90.2	Very high	83.7	Confident	8 Å²	8	46.8 Å²	46.8	6%	0.056	24%	0.235	C	C	.	.			trans	-68.4	159.6	-173.9	64.1	0	0	0	0	113.9	S109 G110 N130 N134 D153 S155	S109-S132 CarbonylContact C-O 3.22Å; S109-S132 WeakPolarHBondContact CA-O 3.27Å; S109-S132 WeakPolarHBondContact CB-O 3.49Å; S109-S132 WeakPolarHBondContact CB-OG 3.45Å; G110-S132 PolarHBondContact N-O 3.02Å; N130-S132 VanDerWaalsContact OD1-CB 3.32Å; N130-S132 WeakPolarHBondContact OD1-CB 3.39Å; N130-S132 PolarHBondContact OD1-N 2.96Å; N130-S132 PolarHBondContact OD1-OG 3.21Å; S132-N134 PolarHBondContact O-N 2.85Å; S132-N134 PolarHBondContact O-ND2 3.11Å; S132-D153 PolarHBondContact N-O 2.78Å; S132-S155 CarbonylContact C-O 3.55Å; S132-S155 WeakPolarHBondContact CA-O 3.26Å; S132-S155 VanDerWaalsContact CB-O 3.26Å; S132-S155 WeakPolarHBondContact CB-O 2.96Å
133	N	88.7	Confident	84.7	Confident	64 Å²	64	39.5 Å²	39.5	34%	0.342	20%	0.201	S	C	.	.	S	Bend	trans	57.1	46.6	178	-56.4	-77.1	0	0	0	113.1	G110 S155 H156	G110-N133 VanDerWaalsContact CA-O 3.24Å; G110-N133 WeakPolarHBondContact CA-O 3.25Å; G110-N133 PolarHBondContact N-O 3.11Å; N133-S155 PolarHBondContact N-O 3.29Å; N133-H156 VanDerWaalsContact CA-O 3.29Å; N133-H156 WeakPolarHBondContact CA-O 3.38Å; N133-H156 PolarHBondContact N-O 3.26Å; N133-H156 WeakPolarHBondContact OD1-CB 3.48Å; N133-H156 PolarHBondContact OD1-CD2 3.12Å
134	N	87.5	Confident	85.5	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.032	18%	0.184	C	C	.	.	S	Bend	trans	-124	-179	177.7	-79.4	-63.3	0	0	0	110.2	F108 Q111 G112 F113 L131 S132 L136 H156 N157	F108-N134 PolarHBondContact O-ND2 3.02Å; Q111-N134 PolarHBondContact N-OD1 3.08Å; G112-N134 PolarHBondContact N-OD1 3.05Å; F113-N134 HydrophobicContact CB-CB 4.29Å; F113-N134 PolarHBondContact N-OD1 3.12Å; L131-N134 PolarHBondContact O-ND2 3.08Å; S132-N134 PolarHBondContact O-N 2.85Å; S132-N134 PolarHBondContact O-ND2 3.11Å; N134-L136 HydrophobicContact CB-CG 4.08Å; N134-H156 PolarHBondContact N-O 3.4Å; N134-H156 VanDerWaalsContact N-O 3.15Å; N134-N157 WeakPolarHBondContact CA-OD1 3.06Å; N134-N157 WeakPolarHBondContact CB-OD1 3.37Å; N134-N157 PolarHBondContact O-OD1 2.92Å
135	N	83.9	Confident	86.3	Confident	64 Å²	64	34.1 Å²	34.1	34%	0.342	18%	0.181	S	C	.	.			trans	-103.2	28.1	179.2	-64.7	-56.9	0	0	0	111.9	G112 F113 T114 N137	G112-N135 PolarHBondContact O-ND2 3.12Å; F113-N135 CarbonylContact O-C 3.51Å; F113-N135 VanDerWaalsContact O-CA 3.3Å; F113-N135 WeakPolarHBondContact O-CA 3.49Å; F113-N135 PolarHBondContact O-N 2.75Å; T114-N135 HydrophobicContact CG2-CB 3.93Å; N135-N137 PolarHBondContact O-N 2.79Å
136	L	85.7	Confident	86.7	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.161	C	C	.	.			trans	-66.3	117.8	-174.3	-59.5	174.1	0	0	0	110.3	F113 T115 V116 L131 N134 L139 N157 N158 L159	F113-L136 HydrophobicContact CB-CD2 4.08Å; F113-L136 WeakPolarHBondContact O-CD2 3.27Å; F113-L136 PolarHBondContact O-N 2.94Å; F113-L136 VanDerWaalsContact O-N 3.17Å; T115-L136 VanDerWaalsContact C-CD2 3.45Å; V116-L136 HydrophobicContact CG2-CD1 3.78Å; V116-L136 HydrophobicContact CG2-CD2 3.76Å; V116-L136 HydrophobicContact CG2-CG 4.42Å; L131-L136 HydrophobicContact CB-CD1 4.03Å; L131-L136 HydrophobicContact CD1-CD1 4.41Å; L131-L136 HydrophobicContact CD2-CD1 4.47Å; N134-L136 HydrophobicContact CB-CG 4.08Å; L136-L139 HydrophobicContact CD1-CD2 4.12Å; L136-N157 HydrophobicContact CB-CB 4.22Å; L136-N157 WeakPolarHBondContact CB-OD1 3.49Å; L136-N157 VanDerWaalsContact CG-OD1 3.26Å; L136-N157 WeakPolarHBondContact CG-OD1 3.4Å; L136-N157 PolarHBondContact N-OD1 3.11Å; L136-N158 CarbonylContact O-C 3.15Å; L136-N158 PolarHBondContact O-N 3.04Å; L136-L159 HydrophobicContact CB-CD2 4.48Å
137	N	82.8	Confident	86.8	Confident	38 Å²	38	34.8 Å²	34.8	20%	0.203	18%	0.181	C	C	.	.	S	Bend	trans	-83.5	-28.3	173.6	-69.2	-45.4	0	0	0	112.1	N135 N158 L159 Q209	N135-N137 PolarHBondContact O-N 2.79Å; N137-N158 WeakPolarHBondContact CA-O 3.16Å; N137-N158 PolarHBondContact OD1-ND2 2.92Å; N137-N158 PolarHBondContact OD1-O 3.04Å; N137-L159 WeakPolarHBondContact O-CA 3.32Å; N137-Q209 PolarHBondContact O-OE1 3.23Å
138	Y	85	Confident	86.8	Confident	102 Å²	102	37.2 Å²	37.2	40%	0.4	19%	0.194	S	C	.	.			trans	-142.2	161.9	176	67.3	-80.7	0	0	0	111.9	T115 P140	T115-Y138 HydrophobicContact CG2-CE1 3.86Å; Y138-P140 HydrophobicContact CE2-CB 4.21Å
139	L	86.8	Confident	86.8	Confident	7 Å²	7	34.7 Å²	34.7	4%	0.037	18%	0.183	C	C	.	.			trans	-103.3	132	159.4	-66	177.9	0	0	0	109.7	V116 L131 L136 I143 I154 L159 Q209 L210 P211	V116-L139 HydrophobicContact CG2-CD2 3.88Å; L131-L139 HydrophobicContact CD1-CD2 4.16Å; L136-L139 HydrophobicContact CD1-CD2 4.12Å; L139-I143 HydrophobicContact CD1-CD1 4.47Å; L139-I143 HydrophobicContact CD2-CD1 4.45Å; L139-I154 HydrophobicContact CD1-CD1 3.73Å; L139-I154 HydrophobicContact CD1-CG2 4Å; L139-I154 HydrophobicContact CD2-CG2 4.12Å; L139-L159 HydrophobicContact CG-CD2 4.45Å; L139-Q209 PolarHBondContact N-O 2.94Å; L139-Q209 VanDerWaalsContact N-O 3.1Å; L139-L210 HydrophobicContact CD1-CD2 3.75Å; L139-L210 HydrophobicContact CG-CD2 4.35Å; L139-P211 HydrophobicContact CB-CG 4.32Å
140	P	85.5	Confident	86.9	Confident	14 Å²	14	36.3 Å²	36.3	9%	0.091	19%	0.19	C	C	.	.			trans	-69.9	156.6	177.5	29.7	-34.8	0	0	0	111.6	V116 F121 Y138 E142 I143 P211	V116-P140 HydrophobicContact CB-CG 4.13Å; F121-P140 HydrophobicContact CE1-CG 4.18Å; F121-P140 HydrophobicContact CE2-CG 3.76Å; F121-P140 HydrophobicContact CZ-CB 4.45Å; F121-P140 HydrophobicContact CZ-CG 3.31Å; Y138-P140 HydrophobicContact CE2-CB 4.21Å; P140-E142 PolarHBondContact O-N 2.86Å; P140-I143 VanDerWaalsContact O-CG2 3.25Å; P140-I143 WeakPolarHBondContact O-CG2 3.44Å; P140-I143 PolarHBondContact O-N 2.94Å; P140-P211 WeakPolarHBondContact O-CG 3.32Å
141	S	84.6	Confident	87	Confident	79 Å²	79	37.9 Å²	37.9	55%	0.552	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-55.3	-37.4	176.6	15.7	0	0	0	0	112.9	I143 C144	S141-I143 PolarHBondContact O-N 3.46Å; S141-I143 VanDerWaalsContact O-N 3.1Å; S141-C144 WeakPolarHBondContact O-CB 3.36Å; S141-C144 PolarHBondContact O-N 2.88Å; S141-C144 PolarHBondContact O-SG 2.8Å
142	E	85.5	Confident	87.2	Confident	82 Å²	82	37.9 Å²	37.9	38%	0.383	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-63	-16.9	-172.9	-59.8	89.8	107.5	0	0	113.3	F121 P140 C144 D145	F121-E142 HydrophobicContact CB-CB 4.04Å; F121-E142 HydrophobicContact CD1-CB 4.12Å; F121-E142 WeakPolarHBondContact CD1-O 3.29Å; F121-E142 HydrophobicContact CD2-CB 3.5Å; F121-E142 HydrophobicContact CD2-CG 4.42Å; F121-E142 HydrophobicContact CE2-CB 4Å; F121-E142 HydrophobicContact CG-CB 3.59Å; P140-E142 PolarHBondContact O-N 2.86Å; E142-C144 PolarHBondContact O-N 3.41Å; E142-D145 PolarHBondContact O-N 2.87Å
143	I	87.4	Confident	87.3	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-63.2	-24.7	169	-155.6	172.2	0	0	0	112	F121 L129 L131 L139 P140 S141 D145 M146 L152 P211	F121-I143 HydrophobicContact CD1-CB 4.41Å; F121-I143 HydrophobicContact CE1-CB 3.91Å; F121-I143 HydrophobicContact CE1-CG1 4.23Å; L129-I143 HydrophobicContact CD2-CD1 4.12Å; L129-I143 HydrophobicContact CD2-CG1 4.4Å; L131-I143 HydrophobicContact CD1-CD1 4.26Å; L139-I143 HydrophobicContact CD1-CD1 4.47Å; L139-I143 HydrophobicContact CD2-CD1 4.45Å; P140-I143 VanDerWaalsContact O-CG2 3.25Å; P140-I143 WeakPolarHBondContact O-CG2 3.44Å; P140-I143 PolarHBondContact O-N 2.94Å; S141-I143 PolarHBondContact O-N 3.46Å; S141-I143 VanDerWaalsContact O-N 3.1Å; I143-D145 VanDerWaalsContact C-N 3.26Å; I143-D145 PolarHBondContact O-N 2.99Å; I143-M146 HydrophobicContact CG1-SD 4.2Å; I143-M146 WeakPolarHBondContact O-CB 3.49Å; I143-M146 PolarHBondContact O-N 3.1Å; I143-L152 HydrophobicContact CD1-CD1 4.03Å; I143-L152 HydrophobicContact CD1-CD2 4.03Å; I143-P211 HydrophobicContact CG2-CG 3.95Å
144	C	85.6	Confident	87.5	Confident	2 Å²	2	35 Å²	35	1%	0.014	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-75.4	-15.4	179.5	-51.9	0	0	0	0	113.1	S141 E142 M146 P211 R216	S141-C144 WeakPolarHBondContact O-CB 3.36Å; S141-C144 PolarHBondContact O-N 2.88Å; S141-C144 PolarHBondContact O-SG 2.8Å; E142-C144 PolarHBondContact O-N 3.41Å; C144-M146 VanDerWaalsContact C-N 3.32Å; C144-P211 WeakPolarHBondContact SG-CB 3.12Å; C144-R216 HydrophobicContact CB-CB 4.48Å
145	D	84.9	Confident	87.7	Confident	86 Å²	86	34.9 Å²	34.9	46%	0.46	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-85.3	-9.5	176.8	-56.8	-46.3	0	0	0	111.7	E142 I143 I147 R216	E142-D145 PolarHBondContact O-N 2.87Å; I143-D145 VanDerWaalsContact C-N 3.26Å; I143-D145 PolarHBondContact O-N 2.99Å; D145-I147 PolarHBondContact O-N 2.77Å; D145-R216 IonicContact OD1-NH1 2.85Å
146	M	86.1	Confident	88	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.015	18%	0.18	C	C	.	.			trans	-75.4	58.6	171.1	-56.9	-176.2	71.5	0	0	111.4	I120 F121 I126 L129 I143 C144 N148 L149 L217	I120-M146 HydrophobicContact CD1-SD 4.46Å; I120-M146 HydrophobicContact CG1-SD 4.3Å; F121-M146 HydrophobicContact CD1-CG 4.26Å; F121-M146 HydrophobicContact CD1-SD 3.83Å; F121-M146 HydrophobicContact CE1-SD 4.35Å; I126-M146 HydrophobicContact CB-CE 3.71Å; I126-M146 HydrophobicContact CD1-CE 3.91Å; I126-M146 HydrophobicContact CG1-CE 4.38Å; I126-M146 HydrophobicContact CG2-CE 3.91Å; L129-M146 HydrophobicContact CD2-CE 4.29Å; L129-M146 HydrophobicContact CD2-SD 4.11Å; I143-M146 HydrophobicContact CG1-SD 4.2Å; I143-M146 WeakPolarHBondContact O-CB 3.49Å; I143-M146 PolarHBondContact O-N 3.1Å; C144-M146 VanDerWaalsContact C-N 3.32Å; M146-N148 PolarHBondContact O-N 2.87Å; M146-L149 HydrophobicContact CB-CB 4.32Å; M146-L149 WeakPolarHBondContact O-CB 3.37Å; M146-L149 PolarHBondContact O-N 2.83Å; M146-L217 WeakPolarHBondContact O-CD2 3.17Å
147	I	83.9	Confident	88.1	Confident	84 Å²	84	36.2 Å²	36.2	43%	0.431	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.2	-169.5	59.1	172.3	0	0	0	115.5	D145 N219	D145-I147 PolarHBondContact O-N 2.77Å; I147-N219 PolarHBondContact O-ND2 3.15Å
148	N	86.5	Confident	88	Confident	65 Å²	65	37.8 Å²	37.8	35%	0.348	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.8	178.6	-67.7	-23.6	0	0	0	114	I124 M146 Q150	I124-N148 WeakPolarHBondContact O-CB 3.44Å; I124-N148 PolarHBondContact O-ND2 3.26Å; M146-N148 PolarHBondContact O-N 2.87Å; N148-Q150 PolarHBondContact O-N 2.82Å
149	L	90	Very high	87.7	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.			trans	-68.5	117.2	-175	-167.2	70.5	0	0	0	111.5	I126 L129 M146 Y151 L152 L217 N219 L220	I126-L149 HydrophobicContact CG2-CD1 4.27Å; L129-L149 HydrophobicContact CB-CD1 3.59Å; L129-L149 HydrophobicContact CB-CD2 4.38Å; L129-L149 HydrophobicContact CD2-CD2 4.47Å; M146-L149 HydrophobicContact CB-CB 4.32Å; M146-L149 WeakPolarHBondContact O-CB 3.37Å; M146-L149 PolarHBondContact O-N 2.83Å; L149-Y151 WeakPolarHBondContact CD1-O 3.3Å; L149-L152 HydrophobicContact CD2-CB 4.04Å; L149-L152 HydrophobicContact CD2-CD1 4.3Å; L149-L152 HydrophobicContact CD2-CD2 4.39Å; L149-L152 HydrophobicContact CD2-CG 4.48Å; L149-L217 HydrophobicContact CB-CD2 4.5Å; L149-N219 CarbonylContact O-C 3.29Å; L149-L220 HydrophobicContact CD2-CD1 4.33Å; L149-L220 HydrophobicContact CG-CD1 4.17Å; L149-L220 WeakPolarHBondContact O-CA 3.23Å; L149-L220 PolarHBondContact O-N 3.3Å
150	Q	92.7	Very high	86.7	Confident	34 Å²	34	39 Å²	39	16%	0.159	20%	0.195	C	C	.	.			trans	-101.6	-25.1	-179.8	-59.5	-169	43.6	0	0	113.3	T127 N148 N219 K221 T222	T127-Q150 WeakPolarHBondContact O-CA 3.34Å; T127-Q150 PolarHBondContact O-N 3.2Å; N148-Q150 PolarHBondContact O-N 2.82Å; Q150-N219 WeakPolarHBondContact CA-O 3.26Å; Q150-N219 HydrophobicContact CG-CB 4.4Å; Q150-K221 PolarHBondContact O-N 3.29Å; Q150-T222 PolarHBondContact O-N 3.42Å
151	Y	93.9	Very high	85	Confident	57 Å²	57	39.4 Å²	39.4	22%	0.224	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.2	177.4	176.8	-78.8	0	0	0	110.7	T127 K128 L129 L149 D153 T222 K224	T127-Y151 PolarHBondContact O-N 2.97Å; T127-Y151 VanDerWaalsContact O-N 3.09Å; K128-Y151 HydrophobicContact CB-CD1 4.38Å; K128-Y151 HydrophobicContact CB-CG 4.49Å; L129-Y151 PolarHBondContact N-O 3.29Å; L149-Y151 WeakPolarHBondContact CD1-O 3.3Å; Y151-D153 HydrophobicContact CE1-CB 3.63Å; Y151-D153 PolarHBondContact OH-OD2 3.34Å; Y151-D153 VanDerWaalsContact OH-OD2 3.11Å; Y151-T222 WeakPolarHBondContact CA-O 3.49Å; Y151-T222 HydrophobicContact CD2-CG2 3.55Å; Y151-T222 HydrophobicContact CE2-CG2 3.74Å; Y151-K224 WeakPolarHBondContact OH-CD 3.37Å; Y151-K224 WeakPolarHBondContact OH-CE 3.34Å; Y151-K224 PolarHBondContact OH-NZ 3.23Å
152	L	94.5	Very high	82.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.3	172.3	179.6	56.8	0	0	0	110.2	L129 L131 I143 L149 I154 L220 T222 L223 K224	L129-L152 HydrophobicContact CB-CD1 4.26Å; L129-L152 HydrophobicContact CD2-CD1 4.04Å; L129-L152 HydrophobicContact CG-CD1 4.12Å; L129-L152 WeakPolarHBondContact O-CA 3.2Å; L131-L152 HydrophobicContact CD1-CD1 4.29Å; I143-L152 HydrophobicContact CD1-CD1 4.03Å; I143-L152 HydrophobicContact CD1-CD2 4.03Å; L149-L152 HydrophobicContact CD2-CB 4.04Å; L149-L152 HydrophobicContact CD2-CD1 4.3Å; L149-L152 HydrophobicContact CD2-CD2 4.39Å; L149-L152 HydrophobicContact CD2-CG 4.48Å; L152-I154 HydrophobicContact CD1-CG2 3.74Å; L152-I154 HydrophobicContact CD2-CG2 4.39Å; L152-I154 HydrophobicContact CG-CG2 3.94Å; L152-L220 HydrophobicContact CB-CD1 3.81Å; L152-L220 HydrophobicContact CB-CD2 4.49Å; L152-T222 PolarHBondContact N-O 2.79Å; L152-L223 HydrophobicContact CB-CD1 4.11Å; L152-L223 HydrophobicContact CD2-CD1 4.02Å; L152-L223 HydrophobicContact CG-CD1 4.04Å; L152-L223 WeakPolarHBondContact O-CA 3.29Å; L152-K224 PolarHBondContact O-N 3.29Å
153	D	92.9	Very high	80	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.053	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.6	171.3	-162.9	-17.5	0	0	0	110	L129 L131 S132 Y151 S155 K224	L129-D153 PolarHBondContact O-N 2.86Å; L131-D153 WeakPolarHBondContact CA-O 3.42Å; L131-D153 PolarHBondContact N-O 3.31Å; S132-D153 PolarHBondContact N-O 2.78Å; Y151-D153 HydrophobicContact CE1-CB 3.63Å; Y151-D153 PolarHBondContact OH-OD2 3.34Å; Y151-D153 VanDerWaalsContact OH-OD2 3.11Å; D153-S155 VanDerWaalsContact OD1-CB 3.23Å; D153-S155 WeakPolarHBondContact OD1-CB 3.5Å; D153-S155 PolarHBondContact OD1-N 3.12Å; D153-S155 VanDerWaalsContact OD1-N 3.13Å; D153-S155 PolarHBondContact OD1-OG 2.97Å; D153-K224 HydrophobicContact CB-CB 4.25Å; D153-K224 HydrophobicContact CB-CD 4.17Å; D153-K224 VanDerWaalsContact CG-CD 3.43Å; D153-K224 WeakPolarHBondContact OD1-CB 3.22Å; D153-K224 WeakPolarHBondContact OD2-CD 3.26Å; D153-K224 IonicContact OD2-NZ 3.72Å; D153-K224 PolarHBondContact OD2-NZ 3.14Å; D153-K224 VanDerWaalsContact OD2-NZ 3.16Å
154	I	92.5	Very high	77.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.			trans	-125.8	16.1	-179.4	57.3	175.2	0	0	0	111.2	L131 L139 L152 N157 L159 L210 L223 K224 M225 C228	L131-I154 HydrophobicContact CB-CG2 4.18Å; L131-I154 HydrophobicContact CD1-CG2 4.16Å; L139-I154 HydrophobicContact CD1-CD1 3.73Å; L139-I154 HydrophobicContact CD1-CG2 4Å; L139-I154 HydrophobicContact CD2-CG2 4.12Å; L152-I154 HydrophobicContact CD1-CG2 3.74Å; L152-I154 HydrophobicContact CD2-CG2 4.39Å; L152-I154 HydrophobicContact CG-CG2 3.94Å; I154-N157 PolarHBondContact O-ND2 3.17Å; I154-L159 HydrophobicContact CD1-CD1 4Å; I154-L210 HydrophobicContact CD1-CD2 4.11Å; I154-L223 HydrophobicContact CD1-CD1 4.42Å; I154-K224 VanDerWaalsContact CG1-O 3.24Å; I154-K224 WeakPolarHBondContact CG1-O 3.32Å; I154-K224 PolarHBondContact N-O 2.97Å; I154-M225 HydrophobicContact CD1-CB 4Å; I154-M225 HydrophobicContact CD1-CE 3.93Å; I154-M225 HydrophobicContact CG1-CB 3.8Å; I154-C228 PolarHBondContact O-SG 2.7Å; I154-C228 VanDerWaalsContact O-SG 3.36Å
155	S	91.5	Very high	74.5	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.028	30%	0.3	C	S	.	.			trans	-62	151.7	-176.4	-50.1	0	0	0	0	112.5	S132 N133 D153 N157 S226	S132-S155 CarbonylContact C-O 3.55Å; S132-S155 WeakPolarHBondContact CA-O 3.26Å; S132-S155 VanDerWaalsContact CB-O 3.26Å; S132-S155 WeakPolarHBondContact CB-O 2.96Å; N133-S155 PolarHBondContact N-O 3.29Å; D153-S155 VanDerWaalsContact OD1-CB 3.23Å; D153-S155 WeakPolarHBondContact OD1-CB 3.5Å; D153-S155 PolarHBondContact OD1-N 3.12Å; D153-S155 VanDerWaalsContact OD1-N 3.13Å; D153-S155 PolarHBondContact OD1-OG 2.97Å; S155-N157 PolarHBondContact O-ND2 3.4Å; S155-S226 CarbonylContact C-O 3.48Å; S155-S226 WeakPolarHBondContact CA-O 3.25Å; S155-S226 WeakPolarHBondContact CB-O 3.35Å; S155-S226 WeakPolarHBondContact CB-OG 3.23Å; S155-S226 PolarHBondContact OG-N 2.64Å; S155-S226 PolarHBondContact OG-OG 2.65Å
156	H	89.5	Confident	71.8	Confident	83 Å²	83	58.9 Å²	58.9	38%	0.384	32%	0.319	S	S	.	.	S	Bend	trans	55.3	65.5	-177.4	-49.5	-79.2	0	0	0	112.1	N133 N134 S226 S227	N133-H156 VanDerWaalsContact CA-O 3.29Å; N133-H156 WeakPolarHBondContact CA-O 3.38Å; N133-H156 PolarHBondContact N-O 3.26Å; N133-H156 WeakPolarHBondContact OD1-CB 3.48Å; N133-H156 PolarHBondContact OD1-CD2 3.12Å; N134-H156 PolarHBondContact N-O 3.4Å; N134-H156 VanDerWaalsContact N-O 3.15Å; H156-S226 PolarHBondContact N-O 2.93Å; H156-S227 PolarHBondContact CE1-OG 2.89Å; H156-S227 VanDerWaalsContact CE1-OG 3.23Å; H156-S227 WeakPolarHBondContact ND1-CB 3.42Å
157	N	87.8	Confident	68.9	Low	10 Å²	10	61.8 Å²	61.8	5%	0.053	35%	0.35	C	S	.	.			trans	-144.2	165.6	176.5	-83	-76.4	0	0	0	109.7	L131 N134 L136 I154 S155 L159 C228	L131-N157 PolarHBondContact O-ND2 3.14Å; N134-N157 WeakPolarHBondContact CA-OD1 3.06Å; N134-N157 WeakPolarHBondContact CB-OD1 3.37Å; N134-N157 PolarHBondContact O-OD1 2.92Å; L136-N157 HydrophobicContact CB-CB 4.22Å; L136-N157 WeakPolarHBondContact CB-OD1 3.49Å; L136-N157 VanDerWaalsContact CG-OD1 3.26Å; L136-N157 WeakPolarHBondContact CG-OD1 3.4Å; L136-N157 PolarHBondContact N-OD1 3.11Å; I154-N157 PolarHBondContact O-ND2 3.17Å; S155-N157 PolarHBondContact O-ND2 3.4Å; N157-L159 HydrophobicContact CB-CG 4.3Å; N157-C228 CarbonylContact O-C 3.39Å; N157-C228 VanDerWaalsContact O-CA 3.23Å; N157-C228 WeakPolarHBondContact O-CA 3.49Å
158	N	81.7	Confident	66.3	Low	72 Å²	72	67 Å²	67	39%	0.385	38%	0.375	S	S	.	.			trans	-105.8	56.9	-172.6	-174	37.9	0	0	0	113.3	L136 N137 R160 G161	L136-N158 CarbonylContact O-C 3.15Å; L136-N158 PolarHBondContact O-N 3.04Å; N137-N158 WeakPolarHBondContact CA-O 3.16Å; N137-N158 PolarHBondContact OD1-ND2 2.92Å; N137-N158 PolarHBondContact OD1-O 3.04Å; N158-R160 PolarHBondContact O-N 3.11Å; N158-G161 PolarHBondContact O-N 3Å
159	L	78.4	Confident	63.5	Low	1 Å²	1	71.6 Å²	71.6	1%	0.005	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	16.5	-168.8	-63.3	175	0	0	0	115.9	L136 N137 L139 I154 N157 Q209 L210 C228 L230	L136-L159 HydrophobicContact CB-CD2 4.48Å; N137-L159 WeakPolarHBondContact O-CA 3.32Å; L139-L159 HydrophobicContact CG-CD2 4.45Å; I154-L159 HydrophobicContact CD1-CD1 4Å; N157-L159 HydrophobicContact CB-CG 4.3Å; L159-Q209 PolarHBondContact O-N 3Å; L159-L210 HydrophobicContact CD1-CD2 4.03Å; L159-C228 HydrophobicContact CD1-CB 4.24Å; L159-L230 HydrophobicContact CB-CD2 3.91Å
160	R	65.4	Low	60.6	Low	133 Å²	133	76.9 Å²	76.9	50%	0.502	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.5	-179.8	-175.4	170.9	167.1	176.6	-7.2	113.2	N158 D229	N158-R160 PolarHBondContact O-N 3.11Å; R160-D229 WeakPolarHBondContact CD-OD2 3.46Å; R160-D229 IonicContact CZ-OD2 3.25Å; R160-D229 IonicContact NE-OD2 3.17Å; R160-D229 IonicContact NH1-OD1 3.2Å; R160-D229 IonicContact NH1-OD2 3.95Å; R160-D229 PolarHBondContact NH1-OD2 3.35Å
161	G	50.6	Low	57.6	Low	22 Å²	22	83.2 Å²	83.2	23%	0.227	47%	0.469	C	S	.	.			trans	78.1	125	173.3	0	0	0	0	0	115.2	N158	N158-G161 PolarHBondContact O-N 3Å
162	S	34.5	Very low	54.6	Low	76 Å²	76	88.1 Å²	88.1	53%	0.531	50%	0.499	S	S	.	.			trans	-78.6	134.4	166.5	48.6	0	0	0	0	110.8	E164	S162-E164 PolarHBondContact O-N 3.32Å; S162-E164 VanDerWaalsContact O-N 3.16Å
163	T	29	Very low	51.3	Low	142 Å²	142	91.4 Å²	91.4	87%	0.871	53%	0.533	S	S	*	.			trans	-86.7	79.2	178.8	53.2	0	0	0	0	111.7
164	E	28.6	Very low	48.2	Very low	173 Å²	173	97.9 Å²	97.9	81%	0.808	57%	0.566	S	S	*	*			trans	-98.9	137.1	164.4	-67	-167.8	154	0	0	110.4	S162 P166	S162-E164 PolarHBondContact O-N 3.32Å; S162-E164 VanDerWaalsContact O-N 3.16Å; E164-P166 WeakPolarHBondContact O-CD 3.29Å
165	V	29.8	Very low	45	Very low	134 Å²	134	103.9 Å²	103.9	81%	0.812	61%	0.606	S	S	*	*			trans	-93.2	115.4	-173.8	-178.6	0	0	0	0	109.2	G167	V165-G167 PolarHBondContact O-N 3.45Å
166	P	27.2	Very low	41.9	Very low	133 Å²	133	111.8 Å²	111.8	86%	0.864	64%	0.644	S	S	*	*	S	Bend	trans	-76.4	93.6	-178.7	30.5	-34.3	0	0	0	110.7	E164	E164-P166 WeakPolarHBondContact O-CD 3.29Å
167	G	27	Very low	39.1	Very low	64 Å²	64	117 Å²	117	66%	0.66	67%	0.666	S	S	*	*			trans	156.9	72.8	169.5	0	0	0	0	0	117	V165	V165-G167 PolarHBondContact O-N 3.45Å
168	M	27.8	Very low	36.2	Very low	194 Å²	194	123.1 Å²	123.1	96%	0.956	70%	0.699	S	S	*	*			trans	-150	119.1	152	-116.3	173.6	178.7	0	0	110.5
169	N	27.7	Very low	33.4	Very low	162 Å²	162	124.7 Å²	124.7	87%	0.866	71%	0.711	S	S	*	*			trans	-85.5	142.2	-177.8	-66.9	-25.6	0	0	0	111.3
170	S	28.8	Very low	30.8	Very low	110 Å²	110	131 Å²	131	77%	0.769	75%	0.745	S	S	*	*			trans	34.1	101.6	142.6	174.9	0	0	0	0	118.2
171	I	31.5	Very low	28.9	Very low	167 Å²	167	132.4 Å²	132.4	86%	0.856	76%	0.757	S	S	*	*			trans	-155.7	151.4	138.8	-104.1	148.6	0	0	0	108.6
172	D	29.5	Very low	27.7	Very low	160 Å²	160	134 Å²	134	86%	0.856	76%	0.764	S	S	*	*			trans	-71.9	148.7	-166.3	-52.9	-95.1	0	0	0	116.1
173	G	26.2	Very low	27.2	Very low	69 Å²	69	136.6 Å²	136.6	71%	0.711	77%	0.771	S	S	*	*			trans	111.1	151.7	143.3	0	0	0	0	0	118
174	I	27.7	Very low	27.2	Very low	146 Å²	146	138.8 Å²	138.8	75%	0.749	77%	0.771	S	S	*	*			trans	75	100.2	172.5	-49.9	173.1	0	0	0	115.3	M176	I174-M176 HydrophobicContact CG2-CG 4.07Å; I174-M176 PolarHBondContact O-N 3.15Å
175	P	25.1	Very low	27	Very low	127 Å²	127	136 Å²	136	83%	0.825	75%	0.753	S	S	*	*			trans	-78.6	99.4	168.1	31.8	-31.7	0	0	0	110.4	K177	P175-K177 PolarHBondContact O-N 3.07Å; P175-K177 VanDerWaalsContact O-N 3.14Å
176	M	26.7	Very low	26.7	Very low	170 Å²	170	134.9 Å²	134.9	84%	0.837	75%	0.751	S	S	*	*			trans	-74.9	103.4	173.5	-67.4	-149.4	85.7	0	0	111.3	I174	I174-M176 HydrophobicContact CG2-CG 4.07Å; I174-M176 PolarHBondContact O-N 3.15Å
177	K	29.4	Very low	26.7	Very low	192 Å²	192	135.8 Å²	135.8	84%	0.835	75%	0.749	S	S	*	*			trans	-68.4	127.2	156.1	-72.9	-177.4	174.2	-176.1	0	109.3	P175	P175-K177 PolarHBondContact O-N 3.07Å; P175-K177 VanDerWaalsContact O-N 3.14Å
178	N	27.3	Very low	26.7	Very low	139 Å²	139	143 Å²	143	74%	0.743	76%	0.762	S	S	*	*			trans	-156.7	119.2	138	-91.8	-13.7	0	0	0	104.9
179	T	23.5	Very low	26.5	Very low	104 Å²	104	138 Å²	138	64%	0.638	75%	0.746	S	S	*	*				57.5	135.2	71.6	67.5	0	0	0	0	112.7
180	N	23.4	Very low	26.4	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	74%	0.74	S	S	*	*			trans	41.2	138.9	147.4	-59.1	22.3	0	0	0	119.2
181	E	24.9	Very low	26.4	Very low	161 Å²	161	139.2 Å²	139.2	75%	0.752	75%	0.748	S	S	*	*			cis	-164.4	176.7	38.8	-140.9	137.7	-113.5	0	0	113.4
182	S	26.2	Very low	26.1	Very low	56 Å²	56	138.5 Å²	138.5	39%	0.392	75%	0.745	S	S	.	*			trans	-57.1	-169.8	176.2	62.4	0	0	0	0	118.2
183	I	25	Very low	26	Very low	130 Å²	130	138.4 Å²	138.4	67%	0.667	74%	0.744	S	S	*	*			trans	87.4	107.2	165.1	-55.6	148.5	0	0	0	116.2
184	H	28.6	Very low	26.1	Very low	188 Å²	188	142.1 Å²	142.1	87%	0.87	75%	0.748	S	S	*	*				-159.3	58.8	126.6	-98	-45.1	0	0	0	111.9
185	R	23.8	Very low	25.9	Very low	114 Å²	114	142.1 Å²	142.1	43%	0.43	75%	0.749	S	S	.	*	S	Bend	trans	-90.3	143.3	152.5	-102.3	-173.9	170.3	177.3	-9	108.5	W1429 K1431	R185-W1429 PolarHBondContact NH1-O 3.39Å; R185-K1431 PolarHBondContact NH2-O 3.26Å; R185-K1431 PolarHBondContact NH2-OXT 3.02Å
186	S	24.3	Very low	26.1	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	74%	0.744	S	S	*	*			trans	44.2	110.5	165	56.6	0	0	0	0	118.4
187	N	26.7	Very low	26.1	Very low	152 Å²	152	140.6 Å²	140.6	81%	0.813	74%	0.737	S	S	*	*			trans	-126.9	122	142.3	-110.8	-24.5	0	0	0	109.5
188	K	26.6	Very low	25.9	Very low	215 Å²	215	138.8 Å²	138.8	94%	0.935	73%	0.732	S	S	*	*			trans	-119.1	60.2	-176.4	-138.8	-162.1	-170.7	-169.5	0	108.6
189	S	24.6	Very low	25.9	Very low	88 Å²	88	138 Å²	138	62%	0.615	73%	0.727	S	S	*	*			trans	-165.9	155.8	177.1	47.9	0	0	0	0	111.9
190	V	25.4	Very low	26.1	Very low	123 Å²	123	141.8 Å²	141.8	75%	0.745	74%	0.737	S	S	*	*			trans	67.3	51.5	170.2	-151.3	0	0	0	0	117.4	L192	V190-L192 VanDerWaalsContact C-N 3.34Å; V190-L192 HydrophobicContact CG1-CB 4.44Å
191	D	28.7	Very low	26.3	Very low	176 Å²	176	139.2 Å²	139.2	94%	0.941	74%	0.735	S	S	*	*			trans	-91.7	76.3	142.1	-90.4	-42.2	0	0	0	108.5
192	L	24.7	Very low	26.3	Very low	151 Å²	151	139.6 Å²	139.6	79%	0.791	74%	0.742	S	S	*	*			trans	-125.4	34.6	-178.5	-114.5	176.3	0	0	0	112.5	V190	V190-L192 VanDerWaalsContact C-N 3.34Å; V190-L192 HydrophobicContact CG1-CB 4.44Å
193	L	28	Very low	26.3	Very low	159 Å²	159	140 Å²	140	83%	0.832	76%	0.755	S	S	*	*			trans	-129.7	105.9	171.4	-75.6	176.4	0	0	0	111.4
194	N	27	Very low	26.4	Very low	147 Å²	147	143.3 Å²	143.3	79%	0.786	77%	0.765	S	S	*	*			trans	26.4	109.4	144.5	-68.6	-15.1	0	0	0	117.3
195	N	25.2	Very low	26.4	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	76%	0.764	S	S	*	*				32.3	95.3	77.8	-100.5	4	0	0	0	113.3
196	N	27.4	Very low	27	Very low	136 Å²	136	140.8 Å²	140.8	73%	0.727	77%	0.765	S	S	*	*				178.3	138.9	120.7	-87.1	-22.1	0	0	0	113.1
197	N	26.7	Very low	28	Very low	129 Å²	129	143 Å²	143	69%	0.69	76%	0.763	S	S	*	*			trans	63.5	118.1	142.4	-61	-5.7	0	0	0	122
198	H	26.6	Very low	29.4	Very low	154 Å²	154	137.4 Å²	137.4	71%	0.713	73%	0.734	S	S	*	*				63.2	113.2	129.8	-70.8	-75.7	0	0	0	121.7
199	D	26.9	Very low	31.2	Very low	123 Å²	123	130.4 Å²	130.4	66%	0.658	71%	0.705	S	S	*	*				62.5	130.8	122.9	-57	-33.3	0	0	0	122.9
200	H	27	Very low	33.9	Very low	183 Å²	183	127 Å²	127	85%	0.847	68%	0.68	S	S	*	*			trans	74.5	125.5	154.4	-65.4	-54.4	0	0	0	121.5
201	A	27.7	Very low	36.7	Very low	81 Å²	81	121.7 Å²	121.7	67%	0.669	65%	0.648	S	S	*	*			trans	77.7	129	148.3	0	0	0	0	0	119.9
202	N	25.9	Very low	39.2	Very low	169 Å²	169	121.8 Å²	121.8	90%	0.904	64%	0.64	S	S	*	*			trans	68.5	150.3	166.9	-47.1	-45.9	0	0	0	115.6
203	G	25.5	Very low	42.1	Very low	64 Å²	64	117.9 Å²	117.9	66%	0.66	62%	0.62	S	S	*	*			cis	160.2	147.5	-7.9	0	0	0	0	0	111.5
204	K	28	Very low	44.9	Very low	200 Å²	200	110.3 Å²	110.3	87%	0.87	58%	0.58	S	S	*	*			trans	62.9	112	-175.5	-58.6	177	175.5	179.4	0	115.9
205	L	28.5	Very low	47.6	Very low	166 Å²	166	106.5 Å²	106.5	87%	0.869	56%	0.56	S	S	*	*			trans	174.5	168.4	135.1	-92.7	158.3	0	0	0	108.4
206	D	36.1	Very low	50.6	Low	84 Å²	84	105.7 Å²	105.7	45%	0.449	55%	0.546	S	S	.	.			trans	60.3	59.1	-177.7	-69	-6.7	0	0	0	116.3	V208 K231 F232	D206-V208 PolarHBondContact O-N 3.17Å; D206-K231 IonicContact OD1-NZ 3.22Å; D206-K231 PolarHBondContact OD1-NZ 3.28Å; D206-K231 VanDerWaalsContact OD1-NZ 3.13Å; D206-K231 IonicContact OD2-NZ 3.19Å; D206-K231 PolarHBondContact OD2-NZ 3.37Å; D206-F232 HydrophobicContact CB-CE1 3.83Å; D206-F232 HydrophobicContact CB-CZ 4.03Å
207	H	44.9	Very low	53.6	Low	159 Å²	159	99.2 Å²	99.2	74%	0.736	51%	0.511	S	S	*	.			trans	-82.7	85.1	163.3	-81.5	-50.2	0	0	0	111.7	Q209	H207-Q209 WeakPolarHBondContact O-CG 3.4Å
208	V	55.8	Low	56.5	Low	34 Å²	34	98.7 Å²	98.7	21%	0.206	51%	0.507	C	S	.	.			trans	-65.5	134.8	171.6	174.4	0	0	0	0	110.8	D206 L210 L230 F232 P234	D206-V208 PolarHBondContact O-N 3.17Å; V208-L210 PolarHBondContact O-N 3.34Å; V208-L210 VanDerWaalsContact O-N 3.16Å; V208-L230 HydrophobicContact CG1-CD2 3.58Å; V208-F232 HydrophobicContact CB-CE2 4.2Å; V208-F232 HydrophobicContact CB-CZ 4.36Å; V208-F232 HydrophobicContact CG2-CD2 4.39Å; V208-F232 HydrophobicContact CG2-CE1 4.12Å; V208-F232 HydrophobicContact CG2-CE2 3.62Å; V208-F232 HydrophobicContact CG2-CZ 3.47Å; V208-F232 VanDerWaalsContact CG2-CZ 3.47Å; V208-P234 HydrophobicContact CB-CG 4.11Å; V208-P234 HydrophobicContact CG1-CG 3.48Å; V208-P234 VanDerWaalsContact CG1-CG 3.48Å
209	Q	65.3	Low	59.6	Low	68 Å²	68	94.6 Å²	94.6	32%	0.318	49%	0.49	S	S	.	.			trans	-96.8	50.9	-157.9	-53.4	-168.1	-30.6	0	0	114.1	N137 L139 L159 H207	N137-Q209 PolarHBondContact O-OE1 3.23Å; L139-Q209 PolarHBondContact N-O 2.94Å; L139-Q209 VanDerWaalsContact N-O 3.1Å; L159-Q209 PolarHBondContact O-N 3Å; H207-Q209 WeakPolarHBondContact O-CG 3.4Å
210	L	81	Confident	62.8	Low	16 Å²	16	88.8 Å²	88.8	8%	0.084	46%	0.459	C	S	.	.	S	Bend	trans	-99	146	164.6	-63.1	-177.8	0	0	0	110.5	L139 I154 L159 V208 M214 M225 P234 I236 V237	L139-L210 HydrophobicContact CD1-CD2 3.75Å; L139-L210 HydrophobicContact CG-CD2 4.35Å; I154-L210 HydrophobicContact CD1-CD2 4.11Å; L159-L210 HydrophobicContact CD1-CD2 4.03Å; V208-L210 PolarHBondContact O-N 3.34Å; V208-L210 VanDerWaalsContact O-N 3.16Å; L210-M214 HydrophobicContact CD1-CE 4.14Å; L210-M225 HydrophobicContact CD1-CE 3.63Å; L210-P234 HydrophobicContact CD1-CB 4.13Å; L210-P234 HydrophobicContact CD1-CG 3.77Å; L210-P234 HydrophobicContact CG-CG 4.35Å; L210-I236 HydrophobicContact CB-CG2 4.48Å; L210-V237 HydrophobicContact CD1-CG2 4.02Å
211	P	83.5	Confident	66	Low	12 Å²	12	83.2 Å²	83.2	8%	0.078	43%	0.433	C	S	.	.			trans	-59.2	141	177.9	-26.6	35.3	0	0	0	113.2	L139 P140 I143 C144 D213 M214	L139-P211 HydrophobicContact CB-CG 4.32Å; P140-P211 WeakPolarHBondContact O-CG 3.32Å; I143-P211 HydrophobicContact CG2-CG 3.95Å; C144-P211 WeakPolarHBondContact SG-CB 3.12Å; P211-D213 PolarHBondContact O-N 2.76Å; P211-M214 HydrophobicContact CB-CB 4.36Å; P211-M214 PolarHBondContact O-N 3.06Å
212	K	82	Confident	69.3	Low	178 Å²	178	80.4 Å²	80.4	77%	0.774	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.8	177.2	-63.7	177.8	-175	170.4	0	113.1	I236	K212-I236 WeakPolarHBondContact O-CD1 3.42Å
213	D	84.5	Confident	72.6	Confident	69 Å²	69	72.3 Å²	72.3	37%	0.369	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	14.4	-175.9	-73.2	-103.4	0	0	0	112.9	P211 N215 R216	P211-D213 PolarHBondContact O-N 2.76Å; D213-N215 VanDerWaalsContact C-OD1 3.28Å; D213-N215 WeakPolarHBondContact CA-OD1 3.17Å; D213-N215 PolarHBondContact O-N 2.96Å; D213-N215 PolarHBondContact O-OD1 3.32Å; D213-R216 HydrophobicContact CB-CG 4.31Å; D213-R216 VanDerWaalsContact O-CB 3.28Å; D213-R216 WeakPolarHBondContact O-CB 3.25Å; D213-R216 VanDerWaalsContact O-CG 3.24Å; D213-R216 WeakPolarHBondContact O-CG 3.15Å; D213-R216 PolarHBondContact O-N 2.94Å; D213-R216 IonicContact OD1-CZ 2.65Å; D213-R216 VanDerWaalsContact OD1-CZ 3.23Å; D213-R216 IonicContact OD1-NE 3.18Å; D213-R216 PolarHBondContact OD1-NE 2.92Å; D213-R216 IonicContact OD1-NH2 2.73Å; D213-R216 PolarHBondContact OD1-NH2 3.24Å
214	M	88	Confident	75.9	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-63.4	-14.6	-177.4	-164.4	174	77.4	0	0	113.3	L210 P211 R216 L217 L223 I236 V237 I240	L210-M214 HydrophobicContact CD1-CE 4.14Å; P211-M214 HydrophobicContact CB-CB 4.36Å; P211-M214 PolarHBondContact O-N 3.06Å; M214-R216 PolarHBondContact O-N 2.98Å; M214-L217 HydrophobicContact CG-CD1 4.09Å; M214-L217 WeakPolarHBondContact O-CB 3.43Å; M214-L217 PolarHBondContact O-N 3.2Å; M214-L223 HydrophobicContact CE-CD2 4.33Å; M214-I236 HydrophobicContact CB-CG1 3.86Å; M214-I236 HydrophobicContact CE-CG2 4.19Å; M214-V237 HydrophobicContact CE-CG2 3.91Å; M214-I240 HydrophobicContact CE-CD1 3.65Å; M214-I240 HydrophobicContact CG-CD1 4.01Å
215	N	84.2	Confident	79	Confident	67 Å²	67	62.8 Å²	62.8	36%	0.358	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-68.9	-9.4	168.2	65.2	-31.8	0	0	0	114.4	D213 L217 I236 Q239	D213-N215 VanDerWaalsContact C-OD1 3.28Å; D213-N215 WeakPolarHBondContact CA-OD1 3.17Å; D213-N215 PolarHBondContact O-N 2.96Å; D213-N215 PolarHBondContact O-OD1 3.32Å; N215-L217 PolarHBondContact O-N 3.16Å; N215-I236 HydrophobicContact CB-CD1 3.77Å; N215-Q239 HydrophobicContact CB-CB 3.99Å
216	R	87.8	Confident	82	Confident	128 Å²	128	55.7 Å²	55.7	48%	0.483	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-68.9	-16.5	169.5	-66.7	-179.7	-169.8	-167.3	6.6	113.3	C144 D145 D213 M214 I218	C144-R216 HydrophobicContact CB-CB 4.48Å; D145-R216 IonicContact OD1-NH1 2.85Å; D213-R216 HydrophobicContact CB-CG 4.31Å; D213-R216 VanDerWaalsContact O-CB 3.28Å; D213-R216 WeakPolarHBondContact O-CB 3.25Å; D213-R216 VanDerWaalsContact O-CG 3.24Å; D213-R216 WeakPolarHBondContact O-CG 3.15Å; D213-R216 PolarHBondContact O-N 2.94Å; D213-R216 IonicContact OD1-CZ 2.65Å; D213-R216 VanDerWaalsContact OD1-CZ 3.23Å; D213-R216 IonicContact OD1-NE 3.18Å; D213-R216 PolarHBondContact OD1-NE 2.92Å; D213-R216 IonicContact OD1-NH2 2.73Å; D213-R216 PolarHBondContact OD1-NH2 3.24Å; M214-R216 PolarHBondContact O-N 2.98Å; R216-I218 PolarHBondContact O-N 3.18Å
217	L	89.2	Confident	84.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.			trans	-75.9	61.6	177.6	-61.9	179.2	0	0	0	111.6	M146 L149 M214 N215 N219 L220	M146-L217 WeakPolarHBondContact O-CD2 3.17Å; L149-L217 HydrophobicContact CB-CD2 4.5Å; M214-L217 HydrophobicContact CG-CD1 4.09Å; M214-L217 WeakPolarHBondContact O-CB 3.43Å; M214-L217 PolarHBondContact O-N 3.2Å; N215-L217 PolarHBondContact O-N 3.16Å; L217-N219 PolarHBondContact O-N 3.34Å; L217-L220 HydrophobicContact CB-CB 3.97Å; L217-L220 HydrophobicContact CB-CD2 4.44Å; L217-L220 HydrophobicContact CD1-CD2 4.22Å; L217-L220 VanDerWaalsContact O-CB 3.29Å; L217-L220 WeakPolarHBondContact O-CB 3.34Å; L217-L220 PolarHBondContact O-N 2.96Å
218	I	88.7	Confident	86.4	Confident	118 Å²	118	45.3 Å²	45.3	61%	0.605	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-18	-173.6	59.9	172.4	0	0	0	114.3	R216 S242	R216-I218 PolarHBondContact O-N 3.18Å; I218-S242 WeakPolarHBondContact O-CB 3.23Å; I218-S242 PolarHBondContact O-OG 3.36Å
219	N	90.7	Very high	87.6	Confident	68 Å²	68	46.3 Å²	46.3	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-3.8	177.5	-68.2	-53.1	0	0	0	113.6	I147 L149 Q150 L217 K221	I147-N219 PolarHBondContact O-ND2 3.15Å; L149-N219 CarbonylContact O-C 3.29Å; Q150-N219 WeakPolarHBondContact CA-O 3.26Å; Q150-N219 HydrophobicContact CG-CB 4.4Å; L217-N219 PolarHBondContact O-N 3.34Å; N219-K221 PolarHBondContact O-N 2.81Å
220	L	94	Very high	88.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.			trans	-70.7	99.9	-173.4	-168.4	71	0	0	0	111.9	L149 L152 L217 L223 I240 S242 L243	L149-L220 HydrophobicContact CD2-CD1 4.33Å; L149-L220 HydrophobicContact CG-CD1 4.17Å; L149-L220 WeakPolarHBondContact O-CA 3.23Å; L149-L220 PolarHBondContact O-N 3.3Å; L152-L220 HydrophobicContact CB-CD1 3.81Å; L152-L220 HydrophobicContact CB-CD2 4.49Å; L217-L220 HydrophobicContact CB-CB 3.97Å; L217-L220 HydrophobicContact CB-CD2 4.44Å; L217-L220 HydrophobicContact CD1-CD2 4.22Å; L217-L220 VanDerWaalsContact O-CB 3.29Å; L217-L220 WeakPolarHBondContact O-CB 3.34Å; L217-L220 PolarHBondContact O-N 2.96Å; L220-L223 HydrophobicContact CD2-CB 4.25Å; L220-I240 HydrophobicContact CB-CG2 4Å; L220-I240 HydrophobicContact CD2-CD1 4.04Å; L220-I240 HydrophobicContact CD2-CG2 4.23Å; L220-S242 CarbonylContact O-C 3.47Å; L220-S242 PolarHBondContact O-OG 3.16Å; L220-S242 VanDerWaalsContact O-OG 3.12Å; L220-L243 HydrophobicContact CD2-CD2 4.26Å; L220-L243 HydrophobicContact CG-CD2 4.15Å; L220-L243 WeakPolarHBondContact O-CD2 3.41Å; L220-L243 PolarHBondContact O-N 2.97Å
221	K	95.1	Very high	88.2	Confident	67 Å²	67	47.3 Å²	47.3	29%	0.291	23%	0.227	S	C	.	.			trans	-79.3	-37.9	176.5	-64.9	174.8	-179.3	166.1	0	112.3	E98 Q150 N219 T244 K245	E98-K221 IonicContact OE1-NZ 2.7Å; E98-K221 PolarHBondContact OE1-NZ 2.92Å; Q150-K221 PolarHBondContact O-N 3.29Å; N219-K221 PolarHBondContact O-N 2.81Å; K221-T244 PolarHBondContact O-N 2.65Å; K221-T244 PolarHBondContact O-OG1 3.03Å; K221-K245 PolarHBondContact O-N 2.8Å
222	T	95.8	Very high	88.2	Confident	21 Å²	21	50.6 Å²	50.6	13%	0.129	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.3	-174.5	-58.7	0	0	0	0	111.7	Q150 Y151 L152 K245	Q150-T222 PolarHBondContact O-N 3.42Å; Y151-T222 WeakPolarHBondContact CA-O 3.49Å; Y151-T222 HydrophobicContact CD2-CG2 3.55Å; Y151-T222 HydrophobicContact CE2-CG2 3.74Å; L152-T222 PolarHBondContact N-O 2.79Å; T222-K245 WeakPolarHBondContact CA-O 3.45Å; T222-K245 HydrophobicContact CG2-CB 4.05Å
223	L	96	Very high	88.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.9	170.4	176.5	60.6	0	0	0	110	L152 I154 M214 L220 M225 V237 I240 L243 K245 L246 D247	L152-L223 HydrophobicContact CB-CD1 4.11Å; L152-L223 HydrophobicContact CD2-CD1 4.02Å; L152-L223 HydrophobicContact CG-CD1 4.04Å; L152-L223 WeakPolarHBondContact O-CA 3.29Å; I154-L223 HydrophobicContact CD1-CD1 4.42Å; M214-L223 HydrophobicContact CE-CD2 4.33Å; L220-L223 HydrophobicContact CD2-CB 4.25Å; L223-M225 HydrophobicContact CD2-CE 4.04Å; L223-M225 HydrophobicContact CG-CE 4.41Å; L223-V237 HydrophobicContact CD2-CG1 4.01Å; L223-V237 HydrophobicContact CD2-CG2 4.48Å; L223-I240 HydrophobicContact CD2-CD1 4.26Å; L223-L243 HydrophobicContact CB-CD1 4.39Å; L223-L243 HydrophobicContact CB-CD2 3.57Å; L223-L243 HydrophobicContact CD2-CD1 4.38Å; L223-K245 PolarHBondContact N-O 3.34Å; L223-L246 HydrophobicContact CB-CD1 4.18Å; L223-L246 HydrophobicContact CD2-CD1 4.19Å; L223-L246 HydrophobicContact CG-CD1 4.21Å; L223-L246 WeakPolarHBondContact O-CA 3.26Å; L223-D247 PolarHBondContact O-N 3.33Å
224	K	95	Very high	88.5	Confident	64 Å²	64	39.6 Å²	39.6	28%	0.278	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.3	170.7	-68.7	169.6	165.4	180	0	110.1	Y151 L152 D153 I154 D247	Y151-K224 WeakPolarHBondContact OH-CD 3.37Å; Y151-K224 WeakPolarHBondContact OH-CE 3.34Å; Y151-K224 PolarHBondContact OH-NZ 3.23Å; L152-K224 PolarHBondContact O-N 3.29Å; D153-K224 HydrophobicContact CB-CB 4.25Å; D153-K224 HydrophobicContact CB-CD 4.17Å; D153-K224 VanDerWaalsContact CG-CD 3.43Å; D153-K224 WeakPolarHBondContact OD1-CB 3.22Å; D153-K224 WeakPolarHBondContact OD2-CD 3.26Å; D153-K224 IonicContact OD2-NZ 3.72Å; D153-K224 PolarHBondContact OD2-NZ 3.14Å; D153-K224 VanDerWaalsContact OD2-NZ 3.16Å; I154-K224 VanDerWaalsContact CG1-O 3.24Å; I154-K224 WeakPolarHBondContact CG1-O 3.32Å; I154-K224 PolarHBondContact N-O 2.97Å; K224-D247 HydrophobicContact CB-CB 4.23Å; K224-D247 HydrophobicContact CG-CB 3.96Å
225	M	92.4	Very high	88.4	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.223	C	C	.	.			trans	-143	46.9	177.9	53.8	169.2	44.7	0	0	110.5	I154 L210 L223 C228 L230 I233 V237 D247 I248 N251	I154-M225 HydrophobicContact CD1-CB 4Å; I154-M225 HydrophobicContact CD1-CE 3.93Å; I154-M225 HydrophobicContact CG1-CB 3.8Å; L210-M225 HydrophobicContact CD1-CE 3.63Å; L223-M225 HydrophobicContact CD2-CE 4.04Å; L223-M225 HydrophobicContact CG-CE 4.41Å; M225-C228 VanDerWaalsContact C-SG 3.55Å; M225-C228 PolarHBondContact O-SG 3.35Å; M225-L230 HydrophobicContact SD-CD1 4.02Å; M225-I233 HydrophobicContact SD-CG2 4.25Å; M225-V237 HydrophobicContact CE-CG2 3.7Å; M225-V237 HydrophobicContact SD-CG2 4.01Å; M225-D247 VanDerWaalsContact CG-O 3.28Å; M225-D247 WeakPolarHBondContact CG-O 3.27Å; M225-D247 PolarHBondContact N-O 3.38Å; M225-I248 HydrophobicContact CG-CG2 3.84Å; M225-I248 HydrophobicContact SD-CG2 3.89Å; M225-N251 PolarHBondContact O-ND2 2.9Å
226	S	91.3	Very high	88.6	Confident	16 Å²	16	44.6 Å²	44.6	11%	0.112	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	146.5	179.1	63.2	0	0	0	0	111.8	S155 H156 C228 S249	S155-S226 CarbonylContact C-O 3.48Å; S155-S226 WeakPolarHBondContact CA-O 3.25Å; S155-S226 WeakPolarHBondContact CB-O 3.35Å; S155-S226 WeakPolarHBondContact CB-OG 3.23Å; S155-S226 PolarHBondContact OG-N 2.64Å; S155-S226 PolarHBondContact OG-OG 2.65Å; H156-S226 PolarHBondContact N-O 2.93Å; S226-C228 PolarHBondContact O-N 2.69Å; S226-C228 PolarHBondContact O-SG 2.66Å; S226-S249 CarbonylContact C-O 3.5Å; S226-S249 WeakPolarHBondContact CA-O 3.21Å; S226-S249 WeakPolarHBondContact CB-O 3.15Å
227	S	88.5	Confident	88.8	Confident	26 Å²	26	38.5 Å²	38.5	18%	0.182	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	42	174.3	-38.4	0	0	0	0	113.5	H156 S249 E250	H156-S227 PolarHBondContact CE1-OG 2.89Å; H156-S227 VanDerWaalsContact CE1-OG 3.23Å; H156-S227 WeakPolarHBondContact ND1-CB 3.42Å; S227-S249 PolarHBondContact N-O 3.34Å; S227-E250 WeakPolarHBondContact OG-CB 3.32Å; S227-E250 PolarHBondContact OG-OE2 3.46Å
228	C	86.1	Confident	88.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-99.9	12.8	-176.3	-67.2	0	0	0	0	114.7	I154 N157 L159 M225 S226 L230 N251	I154-C228 PolarHBondContact O-SG 2.7Å; I154-C228 VanDerWaalsContact O-SG 3.36Å; N157-C228 CarbonylContact O-C 3.39Å; N157-C228 VanDerWaalsContact O-CA 3.23Å; N157-C228 WeakPolarHBondContact O-CA 3.49Å; L159-C228 HydrophobicContact CD1-CB 4.24Å; M225-C228 VanDerWaalsContact C-SG 3.55Å; M225-C228 PolarHBondContact O-SG 3.35Å; S226-C228 PolarHBondContact O-N 2.69Å; S226-C228 PolarHBondContact O-SG 2.66Å; C228-L230 HydrophobicContact CB-CD1 3.88Å; C228-L230 HydrophobicContact CB-CD2 4.47Å; C228-L230 HydrophobicContact CB-CG 3.69Å; C228-L230 PolarHBondContact O-N 2.73Å; C228-L230 VanDerWaalsContact O-N 3.12Å; C228-N251 WeakPolarHBondContact CA-OD1 3.33Å; C228-N251 PolarHBondContact N-OD1 3.12Å
229	D	80.6	Confident	89	Confident	55 Å²	55	37.3 Å²	37.3	29%	0.294	18%	0.179	S	C	.	.			trans	50.1	28	-172.5	-156.2	54.6	0	0	0	114.9	R160 K231 N251	R160-D229 WeakPolarHBondContact CD-OD2 3.46Å; R160-D229 IonicContact CZ-OD2 3.25Å; R160-D229 IonicContact NE-OD2 3.17Å; R160-D229 IonicContact NH1-OD1 3.2Å; R160-D229 IonicContact NH1-OD2 3.95Å; R160-D229 PolarHBondContact NH1-OD2 3.35Å; D229-K231 PolarHBondContact O-N 3.03Å; D229-K231 VanDerWaalsContact O-N 3.14Å; D229-N251 PolarHBondContact N-OD1 3.42Å
230	L	80.7	Confident	89.1	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	16%	0.162	C	C	.	.			trans	-76.1	99.1	-177.2	-62.5	174.4	0	0	0	111.1	L159 V208 M225 C228 F232 I233 N251 T253	L159-L230 HydrophobicContact CB-CD2 3.91Å; V208-L230 HydrophobicContact CG1-CD2 3.58Å; M225-L230 HydrophobicContact SD-CD1 4.02Å; C228-L230 HydrophobicContact CB-CD1 3.88Å; C228-L230 HydrophobicContact CB-CD2 4.47Å; C228-L230 HydrophobicContact CB-CG 3.69Å; C228-L230 PolarHBondContact O-N 2.73Å; C228-L230 VanDerWaalsContact O-N 3.12Å; L230-F232 PolarHBondContact O-N 3.05Å; L230-I233 HydrophobicContact CD1-CD1 4.28Å; L230-N251 HydrophobicContact CB-CB 4.17Å; L230-N251 WeakPolarHBondContact CB-OD1 3.28Å; L230-N251 PolarHBondContact N-OD1 3.03Å; L230-T253 VanDerWaalsContact O-CG2 3.28Å; L230-T253 WeakPolarHBondContact O-CG2 3.33Å
231	K	78.7	Confident	89.1	Confident	103 Å²	103	39.6 Å²	39.6	45%	0.448	19%	0.19	S	C	.	.	S	Bend	trans	-47.2	-29.3	172.4	-73.3	-176.8	-175.9	169.2	0	114.5	D206 D229 T253	D206-K231 IonicContact OD1-NZ 3.22Å; D206-K231 PolarHBondContact OD1-NZ 3.28Å; D206-K231 VanDerWaalsContact OD1-NZ 3.13Å; D206-K231 IonicContact OD2-NZ 3.19Å; D206-K231 PolarHBondContact OD2-NZ 3.37Å; D229-K231 PolarHBondContact O-N 3.03Å; D229-K231 VanDerWaalsContact O-N 3.14Å; K231-T253 WeakPolarHBondContact O-CA 3.4Å
232	F	83.9	Confident	89	Confident	80 Å²	80	37.5 Å²	37.5	35%	0.351	18%	0.184	S	C	.	.	S	Bend	trans	-147.8	146.5	173.8	52.2	-97	0	0	0	109.6	D206 V208 L230 P234	D206-F232 HydrophobicContact CB-CE1 3.83Å; D206-F232 HydrophobicContact CB-CZ 4.03Å; V208-F232 HydrophobicContact CB-CE2 4.2Å; V208-F232 HydrophobicContact CB-CZ 4.36Å; V208-F232 HydrophobicContact CG2-CD2 4.39Å; V208-F232 HydrophobicContact CG2-CE1 4.12Å; V208-F232 HydrophobicContact CG2-CE2 3.62Å; V208-F232 HydrophobicContact CG2-CZ 3.47Å; V208-F232 VanDerWaalsContact CG2-CZ 3.47Å; L230-F232 PolarHBondContact O-N 3.05Å; F232-P234 VanDerWaalsContact O-CD 3.31Å; F232-P234 WeakPolarHBondContact O-CD 3.36Å
233	I	87.1	Confident	89	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.015	18%	0.178	C	C	.	.			trans	-74.6	121.4	172.6	-52.9	-49.9	0	0	0	108.9	M225 L230 V237 F238 I248 N251 T253 M274	M225-I233 HydrophobicContact SD-CG2 4.25Å; L230-I233 HydrophobicContact CD1-CD1 4.28Å; I233-V237 HydrophobicContact CG2-CB 4.05Å; I233-V237 HydrophobicContact CG2-CG1 4.18Å; I233-V237 HydrophobicContact CG2-CG2 4Å; I233-F238 HydrophobicContact CB-CE2 3.92Å; I233-F238 HydrophobicContact CB-CZ 3.81Å; I233-F238 HydrophobicContact CG2-CE1 4.4Å; I233-F238 HydrophobicContact CG2-CE2 3.67Å; I233-F238 HydrophobicContact CG2-CZ 3.48Å; I233-F238 VanDerWaalsContact CG2-CZ 3.48Å; I233-I248 HydrophobicContact CD1-CB 3.93Å; I233-I248 HydrophobicContact CD1-CG2 3.96Å; I233-I248 HydrophobicContact CG1-CB 4.19Å; I233-I248 HydrophobicContact CG1-CD1 4.32Å; I233-I248 HydrophobicContact CG1-CG2 4.1Å; I233-I248 HydrophobicContact CG2-CG2 4.13Å; I233-N251 HydrophobicContact CD1-CB 4.19Å; I233-T253 HydrophobicContact CD1-CG2 3.92Å; I233-T253 HydrophobicContact CG1-CG2 4.05Å; I233-M274 HydrophobicContact CD1-CE 4.02Å; I233-M274 HydrophobicContact CG1-CE 3.9Å
234	P	85.5	Confident	89	Confident	14 Å²	14	37.5 Å²	37.5	9%	0.091	18%	0.184	C	C	.	.			trans	-62.6	138.3	-176.2	-29.9	41.2	0	0	0	113.3	V208 L210 F232 I236 V237	V208-P234 HydrophobicContact CB-CG 4.11Å; V208-P234 HydrophobicContact CG1-CG 3.48Å; V208-P234 VanDerWaalsContact CG1-CG 3.48Å; L210-P234 HydrophobicContact CD1-CB 4.13Å; L210-P234 HydrophobicContact CD1-CG 3.77Å; L210-P234 HydrophobicContact CG-CG 4.35Å; F232-P234 VanDerWaalsContact O-CD 3.31Å; F232-P234 WeakPolarHBondContact O-CD 3.36Å; P234-I236 HydrophobicContact CB-CG2 4.03Å; P234-I236 PolarHBondContact O-N 2.69Å; P234-V237 WeakPolarHBondContact O-CB 3.49Å; P234-V237 WeakPolarHBondContact O-CG2 3.44Å; P234-V237 PolarHBondContact O-N 3.3Å
235	K	85.8	Confident	89.1	Confident	154 Å²	154	40.1 Å²	40.1	67%	0.67	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.8	-174.8	-68.1	-176.3	-179.7	178.5	0	114.3	V237 F238	K235-V237 VanDerWaalsContact C-N 3.3Å; K235-V237 PolarHBondContact O-N 3.44Å; K235-F238 PolarHBondContact O-N 3.04Å
236	I	88.3	Confident	89.3	Confident	17 Å²	17	40.3 Å²	40.3	9%	0.087	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.2	177.1	-171.9	62.1	0	0	0	113.2	L210 K212 M214 N215 P234 F238 Q239	L210-I236 HydrophobicContact CB-CG2 4.48Å; K212-I236 WeakPolarHBondContact O-CD1 3.42Å; M214-I236 HydrophobicContact CB-CG1 3.86Å; M214-I236 HydrophobicContact CE-CG2 4.19Å; N215-I236 HydrophobicContact CB-CD1 3.77Å; P234-I236 HydrophobicContact CB-CG2 4.03Å; P234-I236 PolarHBondContact O-N 2.69Å; I236-F238 PolarHBondContact O-N 3.49Å; I236-Q239 HydrophobicContact CD1-CB 4.3Å; I236-Q239 VanDerWaalsContact CD1-OE1 3.26Å; I236-Q239 WeakPolarHBondContact O-CB 3.35Å; I236-Q239 PolarHBondContact O-N 3.45Å
237	V	91.5	Very high	89.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.7	-41.7	174.2	175.4	0	0	0	0	110.3	L210 M214 L223 M225 I233 P234 K235 Q239 I240 L246	L210-V237 HydrophobicContact CD1-CG2 4.02Å; M214-V237 HydrophobicContact CE-CG2 3.91Å; L223-V237 HydrophobicContact CD2-CG1 4.01Å; L223-V237 HydrophobicContact CD2-CG2 4.48Å; M225-V237 HydrophobicContact CE-CG2 3.7Å; M225-V237 HydrophobicContact SD-CG2 4.01Å; I233-V237 HydrophobicContact CG2-CB 4.05Å; I233-V237 HydrophobicContact CG2-CG1 4.18Å; I233-V237 HydrophobicContact CG2-CG2 4Å; P234-V237 WeakPolarHBondContact O-CB 3.49Å; P234-V237 WeakPolarHBondContact O-CG2 3.44Å; P234-V237 PolarHBondContact O-N 3.3Å; K235-V237 VanDerWaalsContact C-N 3.3Å; K235-V237 PolarHBondContact O-N 3.44Å; V237-Q239 PolarHBondContact O-N 3.33Å; V237-Q239 VanDerWaalsContact O-N 3.17Å; V237-I240 PolarHBondContact O-N 3.22Å; V237-L246 HydrophobicContact CG1-CD1 3.9Å; V237-L246 HydrophobicContact CG1-CD2 4.18Å
238	F	91.8	Very high	89.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-83.6	23	178.1	-45.8	-66.9	0	0	0	113.4	I233 K235 I236 L246 I256 P257 A259 I260 N262 L263	I233-F238 HydrophobicContact CB-CE2 3.92Å; I233-F238 HydrophobicContact CB-CZ 3.81Å; I233-F238 HydrophobicContact CG2-CE1 4.4Å; I233-F238 HydrophobicContact CG2-CE2 3.67Å; I233-F238 HydrophobicContact CG2-CZ 3.48Å; I233-F238 VanDerWaalsContact CG2-CZ 3.48Å; K235-F238 PolarHBondContact O-N 3.04Å; I236-F238 PolarHBondContact O-N 3.49Å; F238-L246 HydrophobicContact CE1-CD2 4.13Å; F238-I256 HydrophobicContact CE1-CG2 4.48Å; F238-I256 HydrophobicContact CZ-CG2 4.33Å; F238-P257 HydrophobicContact CD2-CB 4.4Å; F238-P257 HydrophobicContact CE2-CB 4.09Å; F238-P257 HydrophobicContact CE2-CG 3.81Å; F238-A259 HydrophobicContact CB-CB 3.65Å; F238-A259 WeakPolarHBondContact CB-O 3.47Å; F238-A259 HydrophobicContact CD2-CB 4.08Å; F238-A259 HydrophobicContact CG-CB 4.09Å; F238-I260 HydrophobicContact CD1-CB 4.23Å; F238-I260 HydrophobicContact CD1-CD1 3.86Å; F238-I260 HydrophobicContact CE1-CB 4.3Å; F238-I260 HydrophobicContact CE1-CD1 3.7Å; F238-N262 VanDerWaalsContact O-CB 3.23Å; F238-N262 WeakPolarHBondContact O-CB 3.34Å; F238-N262 PolarHBondContact O-ND2 3.01Å; F238-L263 HydrophobicContact CD1-CD1 4.12Å
239	Q	90.8	Very high	90.1	Very high	93 Å²	93	39.4 Å²	39.4	44%	0.435	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-120	-4.3	170.2	-64.1	179.3	-14.1	0	0	112.2	N215 I236 V237 I241	N215-Q239 HydrophobicContact CB-CB 3.99Å; I236-Q239 HydrophobicContact CD1-CB 4.3Å; I236-Q239 VanDerWaalsContact CD1-OE1 3.26Å; I236-Q239 WeakPolarHBondContact O-CB 3.35Å; I236-Q239 PolarHBondContact O-N 3.45Å; V237-Q239 PolarHBondContact O-N 3.33Å; V237-Q239 VanDerWaalsContact O-N 3.17Å; Q239-I241 VanDerWaalsContact C-N 3.3Å; Q239-I241 PolarHBondContact O-N 3.25Å; Q239-I241 VanDerWaalsContact O-N 3.08Å
240	I	92.7	Very high	90.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.187	C	C	.	.			trans	-84.3	76	174.3	-47.5	176.3	0	0	0	108.4	M214 L220 L223 V237 S242 L243 L263	M214-I240 HydrophobicContact CE-CD1 3.65Å; M214-I240 HydrophobicContact CG-CD1 4.01Å; L220-I240 HydrophobicContact CB-CG2 4Å; L220-I240 HydrophobicContact CD2-CD1 4.04Å; L220-I240 HydrophobicContact CD2-CG2 4.23Å; L223-I240 HydrophobicContact CD2-CD1 4.26Å; V237-I240 PolarHBondContact O-N 3.22Å; I240-S242 PolarHBondContact O-N 3.3Å; I240-L243 HydrophobicContact CB-CD1 3.89Å; I240-L243 HydrophobicContact CB-CG 3.98Å; I240-L243 HydrophobicContact CD1-CD1 4.5Å; I240-L243 HydrophobicContact CG2-CD1 4.32Å; I240-L243 HydrophobicContact CG2-CD2 4.46Å; I240-L243 HydrophobicContact CG2-CG 3.89Å; I240-L243 WeakPolarHBondContact O-CG 3.48Å; I240-L243 PolarHBondContact O-N 3.29Å; I240-L243 VanDerWaalsContact O-N 3.1Å; I240-L263 VanDerWaalsContact O-CD2 3.24Å; I240-L263 WeakPolarHBondContact O-CD2 3.5Å
241	I	92.5	Very high	90.7	Very high	115 Å²	115	39.4 Å²	39.4	59%	0.59	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.1	-169.6	59.3	174.1	0	0	0	115.1	Q239	Q239-I241 VanDerWaalsContact C-N 3.3Å; Q239-I241 PolarHBondContact O-N 3.25Å; Q239-I241 VanDerWaalsContact O-N 3.08Å
242	S	93.4	Very high	90.5	Very high	23 Å²	23	40.5 Å²	40.5	16%	0.161	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-11.7	176.7	43.8	0	0	0	0	115	I218 L220 I240 T244	I218-S242 WeakPolarHBondContact O-CB 3.23Å; I218-S242 PolarHBondContact O-OG 3.36Å; L220-S242 CarbonylContact O-C 3.47Å; L220-S242 PolarHBondContact O-OG 3.16Å; L220-S242 VanDerWaalsContact O-OG 3.12Å; I240-S242 PolarHBondContact O-N 3.3Å; S242-T244 PolarHBondContact O-N 2.86Å
243	L	96.1	Very high	90.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.174	C	C	.	.			trans	-63.3	117.2	-175.8	-74.8	173.3	0	0	0	112.5	L220 L223 I240 L246 L263 E265 L266	L220-L243 HydrophobicContact CD2-CD2 4.26Å; L220-L243 HydrophobicContact CG-CD2 4.15Å; L220-L243 WeakPolarHBondContact O-CD2 3.41Å; L220-L243 PolarHBondContact O-N 2.97Å; L223-L243 HydrophobicContact CB-CD1 4.39Å; L223-L243 HydrophobicContact CB-CD2 3.57Å; L223-L243 HydrophobicContact CD2-CD1 4.38Å; I240-L243 HydrophobicContact CB-CD1 3.89Å; I240-L243 HydrophobicContact CB-CG 3.98Å; I240-L243 HydrophobicContact CD1-CD1 4.5Å; I240-L243 HydrophobicContact CG2-CD1 4.32Å; I240-L243 HydrophobicContact CG2-CD2 4.46Å; I240-L243 HydrophobicContact CG2-CG 3.89Å; I240-L243 WeakPolarHBondContact O-CG 3.48Å; I240-L243 PolarHBondContact O-N 3.29Å; I240-L243 VanDerWaalsContact O-N 3.1Å; L243-L246 HydrophobicContact CD1-CD1 4.4Å; L243-L263 HydrophobicContact CB-CD1 4.37Å; L243-L263 HydrophobicContact CB-CD2 4.49Å; L243-L263 HydrophobicContact CD1-CD1 4.06Å; L243-L263 HydrophobicContact CD1-CD2 4.39Å; L243-E265 CarbonylContact O-C 3.5Å; L243-L266 HydrophobicContact CB-CD1 4.5Å; L243-L266 VanDerWaalsContact O-CA 3.23Å; L243-L266 WeakPolarHBondContact O-CA 3.41Å; L243-L266 PolarHBondContact O-N 3.12Å
244	T	96.4	Very high	90	Very high	22 Å²	22	42 Å²	42	14%	0.135	20%	0.2	C	C	.	.	S	Bend	trans	-97.2	-23.9	170.4	67.1	0	0	0	0	112.5	K221 S242 E265 R267 C268	K221-T244 PolarHBondContact O-N 2.65Å; K221-T244 PolarHBondContact O-OG1 3.03Å; S242-T244 PolarHBondContact O-N 2.86Å; T244-E265 HydrophobicContact CG2-CB 4.26Å; T244-R267 CarbonylContact O-C 3.55Å; T244-R267 WeakPolarHBondContact O-CA 3.46Å; T244-R267 PolarHBondContact O-N 3.04Å; T244-C268 PolarHBondContact O-N 3.08Å
245	K	97.2	Very high	90.1	Very high	119 Å²	119	47.8 Å²	47.8	52%	0.517	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.5	176.3	-59.3	-179.8	-175.6	173.5	0	110.4	K221 T222 L223 C268	K221-K245 PolarHBondContact O-N 2.8Å; T222-K245 WeakPolarHBondContact CA-O 3.45Å; T222-K245 HydrophobicContact CG2-CB 4.05Å; L223-K245 PolarHBondContact N-O 3.34Å; K245-C268 HydrophobicContact CB-CB 4.47Å; K245-C268 HydrophobicContact CG-CB 4.12Å
246	L	97	Very high	90.3	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.8	176.4	179.4	61.3	0	0	0	110.6	L223 V237 F238 L243 I248 I260 L263 L266 C268 L269 L270	L223-L246 HydrophobicContact CB-CD1 4.18Å; L223-L246 HydrophobicContact CD2-CD1 4.19Å; L223-L246 HydrophobicContact CG-CD1 4.21Å; L223-L246 WeakPolarHBondContact O-CA 3.26Å; V237-L246 HydrophobicContact CG1-CD1 3.9Å; V237-L246 HydrophobicContact CG1-CD2 4.18Å; F238-L246 HydrophobicContact CE1-CD2 4.13Å; L243-L246 HydrophobicContact CD1-CD1 4.4Å; L246-I248 HydrophobicContact CD1-CG2 3.88Å; L246-I248 HydrophobicContact CD2-CG2 4.21Å; L246-I248 HydrophobicContact CG-CG2 3.94Å; L246-I260 HydrophobicContact CD2-CD1 4.37Å; L246-L263 HydrophobicContact CD2-CD1 3.98Å; L246-L266 HydrophobicContact CB-CD1 3.83Å; L246-C268 PolarHBondContact N-O 2.81Å; L246-L269 HydrophobicContact CB-CD1 4.34Å; L246-L269 HydrophobicContact CD2-CD1 4.18Å; L246-L269 HydrophobicContact CG-CD1 4.34Å; L246-L270 PolarHBondContact O-N 3.13Å
247	D	95.6	Very high	90.4	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.2	166.3	-159.2	-24.1	0	0	0	111.1	L223 K224 M225 S249 L270	L223-D247 PolarHBondContact O-N 3.33Å; K224-D247 HydrophobicContact CB-CB 4.23Å; K224-D247 HydrophobicContact CG-CB 3.96Å; M225-D247 VanDerWaalsContact CG-O 3.28Å; M225-D247 WeakPolarHBondContact CG-O 3.27Å; M225-D247 PolarHBondContact N-O 3.38Å; D247-S249 WeakPolarHBondContact OD1-CB 3.4Å; D247-S249 PolarHBondContact OD1-N 3.26Å; D247-S249 PolarHBondContact OD1-OG 2.75Å; D247-L270 WeakPolarHBondContact CA-O 3.18Å; D247-L270 HydrophobicContact CB-CB 3.94Å; D247-L270 HydrophobicContact CB-CD1 4.26Å; D247-L270 VanDerWaalsContact CG-CB 3.41Å; D247-L270 WeakPolarHBondContact OD2-CB 3.12Å; D247-L270 VanDerWaalsContact OD2-CD1 3.28Å; D247-L270 WeakPolarHBondContact OD2-CD1 3.45Å
248	I	94.2	Very high	90.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.			trans	-127.2	15.5	-179.3	47.7	172.4	0	0	0	111.6	M225 I233 L246 N251 I256 L269 L270 A271 M274	M225-I248 HydrophobicContact CG-CG2 3.84Å; M225-I248 HydrophobicContact SD-CG2 3.89Å; I233-I248 HydrophobicContact CD1-CB 3.93Å; I233-I248 HydrophobicContact CD1-CG2 3.96Å; I233-I248 HydrophobicContact CG1-CB 4.19Å; I233-I248 HydrophobicContact CG1-CD1 4.32Å; I233-I248 HydrophobicContact CG1-CG2 4.1Å; I233-I248 HydrophobicContact CG2-CG2 4.13Å; L246-I248 HydrophobicContact CD1-CG2 3.88Å; L246-I248 HydrophobicContact CD2-CG2 4.21Å; L246-I248 HydrophobicContact CG-CG2 3.94Å; I248-N251 PolarHBondContact O-ND2 3.01Å; I248-I256 HydrophobicContact CD1-CD1 3.86Å; I248-I256 HydrophobicContact CD1-CG1 4.05Å; I248-L269 HydrophobicContact CD1-CD1 4.04Å; I248-L269 HydrophobicContact CG1-CD1 4.26Å; I248-L270 WeakPolarHBondContact CG1-O 3.48Å; I248-L270 PolarHBondContact N-O 3.03Å; I248-A271 HydrophobicContact CD1-CB 4.36Å; I248-A271 HydrophobicContact CG1-CB 4.18Å; I248-M274 HydrophobicContact CB-CE 4.14Å; I248-M274 HydrophobicContact CB-SD 4.19Å; I248-M274 HydrophobicContact CD1-CE 3.84Å; I248-M274 HydrophobicContact CD1-SD 3.78Å; I248-M274 HydrophobicContact CG1-CE 4.06Å; I248-M274 HydrophobicContact CG1-SD 3.67Å; I248-M274 VanDerWaalsContact O-SD 3.38Å
249	S	92.4	Very high	90.5	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.028	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	156.6	-173.4	-58.7	0	0	0	0	114.3	S226 S227 D247 N251 K272	S226-S249 CarbonylContact C-O 3.5Å; S226-S249 WeakPolarHBondContact CA-O 3.21Å; S226-S249 WeakPolarHBondContact CB-O 3.15Å; S227-S249 PolarHBondContact N-O 3.34Å; D247-S249 WeakPolarHBondContact OD1-CB 3.4Å; D247-S249 PolarHBondContact OD1-N 3.26Å; D247-S249 PolarHBondContact OD1-OG 2.75Å; S249-N251 PolarHBondContact O-N 3.21Å; S249-N251 VanDerWaalsContact O-N 3.14Å; S249-N251 PolarHBondContact O-ND2 3.1Å; S249-K272 CarbonylContact C-O 3.58Å; S249-K272 VanDerWaalsContact CA-O 3.32Å; S249-K272 WeakPolarHBondContact CA-O 3.44Å; S249-K272 PolarHBondContact OG-N 3.26Å
250	E	88	Confident	90.6	Very high	55 Å²	55	41.9 Å²	41.9	26%	0.257	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	17.9	173.8	-43.9	-151.1	138.5	0	0	116.6	S227 K272 R273	S227-E250 WeakPolarHBondContact OG-CB 3.32Å; S227-E250 PolarHBondContact OG-OE2 3.46Å; E250-K272 PolarHBondContact N-O 3.22Å; E250-R273 HydrophobicContact CG-CB 4.32Å; E250-R273 WeakPolarHBondContact OE1-CD 3.43Å; E250-R273 IonicContact OE1-CZ 3.84Å; E250-R273 IonicContact OE1-NE 3.8Å; E250-R273 IonicContact OE1-NH1 3.19Å; E250-R273 PolarHBondContact OE1-NH1 3.42Å
251	N	84.8	Confident	90.6	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.214	C	C	.	.			trans	-92.2	1.1	179.4	-74.9	-64.3	0	0	0	115.4	M225 C228 D229 L230 I233 I248 S249 T253	M225-N251 PolarHBondContact O-ND2 2.9Å; C228-N251 WeakPolarHBondContact CA-OD1 3.33Å; C228-N251 PolarHBondContact N-OD1 3.12Å; D229-N251 PolarHBondContact N-OD1 3.42Å; L230-N251 HydrophobicContact CB-CB 4.17Å; L230-N251 WeakPolarHBondContact CB-OD1 3.28Å; L230-N251 PolarHBondContact N-OD1 3.03Å; I233-N251 HydrophobicContact CD1-CB 4.19Å; I248-N251 PolarHBondContact O-ND2 3.01Å; S249-N251 PolarHBondContact O-N 3.21Å; S249-N251 VanDerWaalsContact O-N 3.14Å; S249-N251 PolarHBondContact O-ND2 3.1Å; N251-T253 HydrophobicContact CB-CG2 4.09Å; N251-T253 PolarHBondContact O-N 2.97Å
252	W	76.4	Confident	90.6	Very high	126 Å²	126	40.1 Å²	40.1	48%	0.477	21%	0.205	S	C	.	.			trans	48.1	31.3	176.4	-61.4	-50.2	0	0	0	117.2	N254 R273 M274	W252-N254 VanDerWaalsContact C-N 3.26Å; W252-N254 PolarHBondContact O-N 2.87Å; W252-N254 PolarHBondContact O-ND2 2.99Å; W252-R273 VanDerWaalsContact CD1-O 3.23Å; W252-R273 PolarHBondContact NE1-O 3.38Å; W252-M274 CarbonylContact C-O 3.33Å; W252-M274 VanDerWaalsContact C-O 3.24Å; W252-M274 WeakPolarHBondContact CA-O 3.4Å
253	T	79.3	Confident	90.7	Very high	10 Å²	10	39 Å²	39	6%	0.061	20%	0.197	C	C	.	.			trans	-69.5	-17.6	-175.5	66.5	0	0	0	0	114.9	L230 K231 I233 N251 E255 M274	L230-T253 VanDerWaalsContact O-CG2 3.28Å; L230-T253 WeakPolarHBondContact O-CG2 3.33Å; K231-T253 WeakPolarHBondContact O-CA 3.4Å; I233-T253 HydrophobicContact CD1-CG2 3.92Å; I233-T253 HydrophobicContact CG1-CG2 4.05Å; N251-T253 HydrophobicContact CB-CG2 4.09Å; N251-T253 PolarHBondContact O-N 2.97Å; T253-E255 WeakPolarHBondContact CB-O 3.49Å; T253-E255 PolarHBondContact O-N 3.04Å; T253-E255 PolarHBondContact OG1-O 3.32Å; T253-M274 HydrophobicContact CG2-CE 3.89Å; T253-M274 PolarHBondContact N-O 2.93Å; T253-M274 VanDerWaalsContact N-O 3.14Å; T253-M274 VanDerWaalsContact OG1-CE 3.3Å; T253-M274 WeakPolarHBondContact OG1-CE 3.47Å
254	N	80.7	Confident	90.6	Very high	105 Å²	105	43.4 Å²	43.4	56%	0.561	22%	0.22	S	C	*	.	S	Bend	trans	64.3	-20.5	-172.8	-46.6	-81	0	0	0	115.7	W252 M274	W252-N254 VanDerWaalsContact C-N 3.26Å; W252-N254 PolarHBondContact O-N 2.87Å; W252-N254 PolarHBondContact O-ND2 2.99Å; N254-M274 PolarHBondContact N-O 3.05Å
255	E	87	Confident	90.5	Very high	135 Å²	135	45.3 Å²	45.3	63%	0.631	23%	0.227	S	C	*	.			trans	-139.8	153.7	171.6	61.3	172.9	-138.4	0	0	113.6	T253 L276	T253-E255 WeakPolarHBondContact CB-O 3.49Å; T253-E255 PolarHBondContact O-N 3.04Å; T253-E255 PolarHBondContact OG1-O 3.32Å; E255-L276 VanDerWaalsContact C-CD2 3.45Å
256	I	90.5	Very high	90.4	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.041	20%	0.203	C	C	.	.			trans	-100.8	125.4	162.6	-68.6	174.6	0	0	0	107	F238 I248 I260 L269 A271 M274 L276 L279 P280	F238-I256 HydrophobicContact CE1-CG2 4.48Å; F238-I256 HydrophobicContact CZ-CG2 4.33Å; I248-I256 HydrophobicContact CD1-CD1 3.86Å; I248-I256 HydrophobicContact CD1-CG1 4.05Å; I256-I260 HydrophobicContact CG2-CB 3.84Å; I256-I260 HydrophobicContact CG2-CD1 4.49Å; I256-I260 HydrophobicContact CG2-CG1 4.22Å; I256-I260 HydrophobicContact CG2-CG2 4.09Å; I256-L269 HydrophobicContact CD1-CD2 4.29Å; I256-A271 HydrophobicContact CD1-CB 4.09Å; I256-M274 HydrophobicContact CG1-CE 4.4Å; I256-L276 HydrophobicContact CD1-CD1 3.71Å; I256-L276 HydrophobicContact CG1-CD1 3.99Å; I256-L276 HydrophobicContact CG1-CD2 3.89Å; I256-L279 HydrophobicContact CD1-CD2 3.95Å; I256-P280 HydrophobicContact CB-CG 4.47Å; I256-P280 HydrophobicContact CG2-CG 4.36Å; I256-P280 WeakPolarHBondContact O-CG 3.44Å
257	P	90.7	Very high	90.4	Very high	23 Å²	23	42.8 Å²	42.8	15%	0.149	22%	0.215	C	C	.	.			trans	-57.7	146.5	178.3	-28.6	36.8	0	0	0	113.5	F238 A259 I260	F238-P257 HydrophobicContact CD2-CB 4.4Å; F238-P257 HydrophobicContact CE2-CB 4.09Å; F238-P257 HydrophobicContact CE2-CG 3.81Å; P257-A259 PolarHBondContact O-N 3.04Å; P257-I260 WeakPolarHBondContact O-CG2 3.44Å; P257-I260 PolarHBondContact O-N 3.49Å
258	T	91.4	Very high	90.4	Very high	87 Å²	87	43.1 Å²	43.1	53%	0.534	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-55.9	-20.3	176.5	56.5	0	0	0	0	114	I260 G261 P280 Q282	T258-I260 PolarHBondContact O-N 3.24Å; T258-G261 PolarHBondContact O-N 3.01Å; T258-P280 HydrophobicContact CG2-CB 4.2Å; T258-Q282 VanDerWaalsContact CG2-OE1 3.25Å; T258-Q282 WeakPolarHBondContact O-CB 3.25Å
259	A	92.8	Very high	90.5	Very high	22 Å²	22	43.1 Å²	43.1	18%	0.182	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-60.4	-17.2	173.7	0	0	0	0	0	114.1	F238 P257 G261 N262	F238-A259 HydrophobicContact CB-CB 3.65Å; F238-A259 WeakPolarHBondContact CB-O 3.47Å; F238-A259 HydrophobicContact CD2-CB 4.08Å; F238-A259 HydrophobicContact CG-CB 4.09Å; P257-A259 PolarHBondContact O-N 3.04Å; A259-G261 PolarHBondContact O-N 3.17Å; A259-N262 VanDerWaalsContact O-CB 3.26Å; A259-N262 WeakPolarHBondContact O-CB 3.22Å; A259-N262 PolarHBondContact O-N 3.01Å; A259-N262 PolarHBondContact O-ND2 2.99Å
260	I	94	Very high	90.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-47.9	-35.7	173.8	-174.1	66.9	0	0	0	112.5	F238 L246 I256 P257 T258 N262 L263 L266 L269 P280 I283 C286	F238-I260 HydrophobicContact CD1-CB 4.23Å; F238-I260 HydrophobicContact CD1-CD1 3.86Å; F238-I260 HydrophobicContact CE1-CB 4.3Å; F238-I260 HydrophobicContact CE1-CD1 3.7Å; L246-I260 HydrophobicContact CD2-CD1 4.37Å; I256-I260 HydrophobicContact CG2-CB 3.84Å; I256-I260 HydrophobicContact CG2-CD1 4.49Å; I256-I260 HydrophobicContact CG2-CG1 4.22Å; I256-I260 HydrophobicContact CG2-CG2 4.09Å; P257-I260 WeakPolarHBondContact O-CG2 3.44Å; P257-I260 PolarHBondContact O-N 3.49Å; T258-I260 PolarHBondContact O-N 3.24Å; I260-N262 PolarHBondContact O-N 3.4Å; I260-L263 HydrophobicContact CD1-CD1 4.13Å; I260-L263 PolarHBondContact O-N 3.36Å; I260-L266 HydrophobicContact CD1-CD2 3.97Å; I260-L269 HydrophobicContact CD1-CD1 4.5Å; I260-P280 HydrophobicContact CG2-CG 3.61Å; I260-I283 HydrophobicContact CG1-CG1 4.45Å; I260-I283 HydrophobicContact CG2-CB 4.34Å; I260-C286 PolarHBondContact O-SG 2.88Å
261	G	91.3	Very high	90.9	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.031	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-67.3	3.5	177.8	0	0	0	0	0	116.2	T258 A259 Q282 N285	T258-G261 PolarHBondContact O-N 3.01Å; A259-G261 PolarHBondContact O-N 3.17Å; G261-Q282 WeakPolarHBondContact CA-O 3.11Å; G261-N285 WeakPolarHBondContact O-CB 3.48Å; G261-N285 PolarHBondContact O-ND2 3.38Å; G261-N285 VanDerWaalsContact O-ND2 3.08Å
262	N	93.4	Very high	91.1	Very high	76 Å²	76	44.2 Å²	44.2	41%	0.406	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-83.3	-22.2	167.4	-62.3	-14.8	0	0	0	112.4	F238 A259 I260 L264	F238-N262 VanDerWaalsContact O-CB 3.23Å; F238-N262 WeakPolarHBondContact O-CB 3.34Å; F238-N262 PolarHBondContact O-ND2 3.01Å; A259-N262 VanDerWaalsContact O-CB 3.26Å; A259-N262 WeakPolarHBondContact O-CB 3.22Å; A259-N262 PolarHBondContact O-N 3.01Å; A259-N262 PolarHBondContact O-ND2 2.99Å; I260-N262 PolarHBondContact O-N 3.4Å; N262-L264 VanDerWaalsContact C-N 3.27Å; N262-L264 PolarHBondContact O-N 3.13Å
263	L	95	Very high	91.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.			trans	-83	71.6	-175.8	-57.3	-171.5	0	0	0	110.1	F238 I240 L243 L246 I260 E265 L266 C286	F238-L263 HydrophobicContact CD1-CD1 4.12Å; I240-L263 VanDerWaalsContact O-CD2 3.24Å; I240-L263 WeakPolarHBondContact O-CD2 3.5Å; L243-L263 HydrophobicContact CB-CD1 4.37Å; L243-L263 HydrophobicContact CB-CD2 4.49Å; L243-L263 HydrophobicContact CD1-CD1 4.06Å; L243-L263 HydrophobicContact CD1-CD2 4.39Å; L246-L263 HydrophobicContact CD2-CD1 3.98Å; I260-L263 HydrophobicContact CD1-CD1 4.13Å; I260-L263 PolarHBondContact O-N 3.36Å; L263-E265 VanDerWaalsContact C-N 3.25Å; L263-E265 PolarHBondContact O-N 2.91Å; L263-L266 HydrophobicContact CB-CB 3.96Å; L263-L266 HydrophobicContact CB-CD2 4.36Å; L263-L266 HydrophobicContact CD1-CD1 4.47Å; L263-L266 HydrophobicContact CD1-CD2 4.37Å; L263-L266 VanDerWaalsContact O-CB 3.23Å; L263-L266 WeakPolarHBondContact O-CB 3.31Å; L263-L266 PolarHBondContact O-N 2.98Å; L263-L266 VanDerWaalsContact O-N 3.16Å; L263-C286 PolarHBondContact O-SG 2.73Å
264	L	93.5	Very high	92	Very high	91 Å²	91	40.8 Å²	40.8	48%	0.476	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-29.8	-173.5	-57.9	-177.8	0	0	0	112.9	N262 L266 N285	N262-L264 VanDerWaalsContact C-N 3.27Å; N262-L264 PolarHBondContact O-N 3.13Å; L264-L266 VanDerWaalsContact C-N 3.32Å; L264-N285 HydrophobicContact CD2-CB 4.2Å
265	E	94.4	Very high	92.1	Very high	62 Å²	62	36.6 Å²	36.6	29%	0.29	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.5	177.7	-65.2	-51.3	122.5	0	0	114.7	L243 T244 L263 R267 K288	L243-E265 CarbonylContact O-C 3.5Å; T244-E265 HydrophobicContact CG2-CB 4.26Å; L263-E265 VanDerWaalsContact C-N 3.25Å; L263-E265 PolarHBondContact O-N 2.91Å; E265-R267 WeakPolarHBondContact O-CG 3.44Å; E265-R267 PolarHBondContact O-N 2.97Å; E265-R267 VanDerWaalsContact O-N 3.15Å; E265-K288 IonicContact OE1-NZ 3.99Å; E265-K288 PolarHBondContact OE1-NZ 2.98Å; E265-K288 WeakPolarHBondContact OE2-CD 3.35Å; E265-K288 IonicContact OE2-NZ 3.83Å; E265-K288 PolarHBondContact OE2-NZ 2.66Å
266	L	96.4	Very high	92	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.			trans	-63.4	117.5	-171.4	-165.1	68	0	0	0	111.7	L243 L246 I260 L263 L264 C268 L269 C286 K288 L289	L243-L266 HydrophobicContact CB-CD1 4.5Å; L243-L266 VanDerWaalsContact O-CA 3.23Å; L243-L266 WeakPolarHBondContact O-CA 3.41Å; L243-L266 PolarHBondContact O-N 3.12Å; L246-L266 HydrophobicContact CB-CD1 3.83Å; I260-L266 HydrophobicContact CD1-CD2 3.97Å; L263-L266 HydrophobicContact CB-CB 3.96Å; L263-L266 HydrophobicContact CB-CD2 4.36Å; L263-L266 HydrophobicContact CD1-CD1 4.47Å; L263-L266 HydrophobicContact CD1-CD2 4.37Å; L263-L266 VanDerWaalsContact O-CB 3.23Å; L263-L266 WeakPolarHBondContact O-CB 3.31Å; L263-L266 PolarHBondContact O-N 2.98Å; L263-L266 VanDerWaalsContact O-N 3.16Å; L264-L266 VanDerWaalsContact C-N 3.32Å; L266-C268 WeakPolarHBondContact CD1-O 3.46Å; L266-L269 HydrophobicContact CD2-CB 4.27Å; L266-C286 HydrophobicContact CB-CB 4.34Å; L266-K288 CarbonylContact O-C 3.51Å; L266-L289 HydrophobicContact CB-CD2 4.33Å; L266-L289 HydrophobicContact CD2-CD2 4.01Å; L266-L289 HydrophobicContact CG-CD2 3.85Å; L266-L289 VanDerWaalsContact O-CA 3.25Å; L266-L289 WeakPolarHBondContact O-CA 3.4Å; L266-L289 WeakPolarHBondContact O-CG 3.41Å; L266-L289 PolarHBondContact O-N 3.05Å
267	R	95.9	Very high	91.5	Very high	70 Å²	70	32.1 Å²	32.1	26%	0.264	18%	0.175	S	C	.	.			trans	-103.7	-28.3	178	-53.5	-169.1	-169.4	175.9	8.7	112.6	E96 T244 E265 K288 R290 T291	E96-R267 IonicContact OE1-CZ 2.69Å; E96-R267 IonicContact OE1-NH1 3.55Å; E96-R267 PolarHBondContact OE1-NH1 3.01Å; E96-R267 IonicContact OE1-NH2 3.58Å; E96-R267 PolarHBondContact OE1-NH2 3.06Å; T244-R267 CarbonylContact O-C 3.55Å; T244-R267 WeakPolarHBondContact O-CA 3.46Å; T244-R267 PolarHBondContact O-N 3.04Å; E265-R267 WeakPolarHBondContact O-CG 3.44Å; E265-R267 PolarHBondContact O-N 2.97Å; E265-R267 VanDerWaalsContact O-N 3.15Å; R267-K288 HydrophobicContact CG-CB 4.41Å; R267-R290 WeakPolarHBondContact O-CA 3.42Å; R267-R290 PolarHBondContact O-N 3.34Å; R267-T291 PolarHBondContact O-N 3.38Å
268	C	96.6	Very high	91.3	Very high	26 Å²	26	33.6 Å²	33.6	18%	0.176	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.4	177.3	-170.1	0	0	0	0	112	T244 K245 L246 L266 T291	T244-C268 PolarHBondContact O-N 3.08Å; K245-C268 HydrophobicContact CB-CB 4.47Å; K245-C268 HydrophobicContact CG-CB 4.12Å; L246-C268 PolarHBondContact N-O 2.81Å; L266-C268 WeakPolarHBondContact CD1-O 3.46Å; C268-T291 WeakPolarHBondContact CA-O 3.35Å
269	L	96.5	Very high	91.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116.1	171.9	178.9	62.3	0	0	0	110.4	L246 I248 I256 I260 L266 A271 I283 L289 T291 I292 N293	L246-L269 HydrophobicContact CB-CD1 4.34Å; L246-L269 HydrophobicContact CD2-CD1 4.18Å; L246-L269 HydrophobicContact CG-CD1 4.34Å; I248-L269 HydrophobicContact CD1-CD1 4.04Å; I248-L269 HydrophobicContact CG1-CD1 4.26Å; I256-L269 HydrophobicContact CD1-CD2 4.29Å; I260-L269 HydrophobicContact CD1-CD1 4.5Å; L266-L269 HydrophobicContact CD2-CB 4.27Å; L269-A271 HydrophobicContact CG-CB 4.41Å; L269-I283 HydrophobicContact CD2-CD1 3.89Å; L269-L289 HydrophobicContact CB-CD2 4.18Å; L269-T291 PolarHBondContact N-O 3.34Å; L269-I292 WeakPolarHBondContact O-CA 3.46Å; L269-N293 PolarHBondContact O-N 3Å
270	L	94.9	Very high	91.1	Very high	39 Å²	39	29.6 Å²	29.6	20%	0.204	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.6	172.4	-56.8	-179.4	0	0	0	108.7	L246 D247 I248 N293	L246-L270 PolarHBondContact O-N 3.13Å; D247-L270 WeakPolarHBondContact CA-O 3.18Å; D247-L270 HydrophobicContact CB-CB 3.94Å; D247-L270 HydrophobicContact CB-CD1 4.26Å; D247-L270 VanDerWaalsContact CG-CB 3.41Å; D247-L270 WeakPolarHBondContact OD2-CB 3.12Å; D247-L270 VanDerWaalsContact OD2-CD1 3.28Å; D247-L270 WeakPolarHBondContact OD2-CD1 3.45Å; I248-L270 WeakPolarHBondContact CG1-O 3.48Å; I248-L270 PolarHBondContact N-O 3.03Å; L270-N293 HydrophobicContact CD2-CB 3.55Å
271	A	93.1	Very high	90.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.			trans	-140.8	40.4	-171.4	0	0	0	0	0	110.8	I248 I256 L269 M274 L276 N293 L294 N297	I248-A271 HydrophobicContact CD1-CB 4.36Å; I248-A271 HydrophobicContact CG1-CB 4.18Å; I256-A271 HydrophobicContact CD1-CB 4.09Å; L269-A271 HydrophobicContact CG-CB 4.41Å; A271-M274 HydrophobicContact CB-SD 3.57Å; A271-M274 VanDerWaalsContact CB-SD 3.57Å; A271-L276 HydrophobicContact CB-CD1 4.15Å; A271-N293 CarbonylContact C-O 3.48Å; A271-N293 PolarHBondContact N-O 2.91Å; A271-L294 HydrophobicContact CB-CD2 4.06Å; A271-N297 PolarHBondContact O-ND2 3.33Å
272	K	90	Very high	91	Very high	46 Å²	46	36 Å²	36	20%	0.2	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	147.1	-174.5	-50.5	177.1	-174.7	173.2	0	110.7	S249 E250 M274 N293 Y295	S249-K272 CarbonylContact C-O 3.58Å; S249-K272 VanDerWaalsContact CA-O 3.32Å; S249-K272 WeakPolarHBondContact CA-O 3.44Å; S249-K272 PolarHBondContact OG-N 3.26Å; E250-K272 PolarHBondContact N-O 3.22Å; K272-M274 PolarHBondContact O-N 2.92Å; K272-N293 WeakPolarHBondContact CG-OD1 3.31Å; K272-Y295 CarbonylContact C-O 3.09Å; K272-Y295 WeakPolarHBondContact CA-O 3.5Å
273	R	86.4	Confident	90.9	Very high	63 Å²	63	32.4 Å²	32.4	24%	0.238	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	28.7	169.5	-60.6	166.8	174.4	-178.6	0.7	115.1	E250 W252 Y295 E1375	E250-R273 HydrophobicContact CG-CB 4.32Å; E250-R273 WeakPolarHBondContact OE1-CD 3.43Å; E250-R273 IonicContact OE1-CZ 3.84Å; E250-R273 IonicContact OE1-NE 3.8Å; E250-R273 IonicContact OE1-NH1 3.19Å; E250-R273 PolarHBondContact OE1-NH1 3.42Å; W252-R273 VanDerWaalsContact CD1-O 3.23Å; W252-R273 PolarHBondContact NE1-O 3.38Å; R273-Y295 PolarHBondContact N-O 3.31Å; R273-E1375 IonicContact NH2-OE1 2.72Å
274	M	87.5	Confident	90.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-86.6	-7.2	-178.6	-72.9	-175	82	0	0	114.4	I233 I248 W252 T253 N254 I256 A271 K272 L276 N297	I233-M274 HydrophobicContact CD1-CE 4.02Å; I233-M274 HydrophobicContact CG1-CE 3.9Å; I248-M274 HydrophobicContact CB-CE 4.14Å; I248-M274 HydrophobicContact CB-SD 4.19Å; I248-M274 HydrophobicContact CD1-CE 3.84Å; I248-M274 HydrophobicContact CD1-SD 3.78Å; I248-M274 HydrophobicContact CG1-CE 4.06Å; I248-M274 HydrophobicContact CG1-SD 3.67Å; I248-M274 VanDerWaalsContact O-SD 3.38Å; W252-M274 CarbonylContact C-O 3.33Å; W252-M274 VanDerWaalsContact C-O 3.24Å; W252-M274 WeakPolarHBondContact CA-O 3.4Å; T253-M274 HydrophobicContact CG2-CE 3.89Å; T253-M274 PolarHBondContact N-O 2.93Å; T253-M274 VanDerWaalsContact N-O 3.14Å; T253-M274 VanDerWaalsContact OG1-CE 3.3Å; T253-M274 WeakPolarHBondContact OG1-CE 3.47Å; N254-M274 PolarHBondContact N-O 3.05Å; I256-M274 HydrophobicContact CG1-CE 4.4Å; A271-M274 HydrophobicContact CB-SD 3.57Å; A271-M274 VanDerWaalsContact CB-SD 3.57Å; K272-M274 PolarHBondContact O-N 2.92Å; M274-L276 HydrophobicContact CB-CD1 4.13Å; M274-L276 HydrophobicContact CB-CD2 4.18Å; M274-L276 HydrophobicContact CB-CG 3.76Å; M274-L276 HydrophobicContact SD-CD1 4.25Å; M274-N297 WeakPolarHBondContact CA-OD1 3.4Å; M274-N297 PolarHBondContact N-OD1 3.01Å
275	G	81.6	Confident	90.6	Very high	17 Å²	17	33 Å²	33	18%	0.175	17%	0.172	C	C	.	.			trans	80.3	12.7	-176.4	0	0	0	0	0	114.6	S277 N297	G275-S277 PolarHBondContact O-N 2.81Å; G275-N297 PolarHBondContact N-OD1 2.95Å
276	L	86.3	Confident	90.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.			trans	-63.8	128.5	-174.5	-55.6	173	0	0	0	111.6	E255 I256 A271 M274 L279 L294 N297 E298 I299	E255-L276 VanDerWaalsContact C-CD2 3.45Å; I256-L276 HydrophobicContact CD1-CD1 3.71Å; I256-L276 HydrophobicContact CG1-CD1 3.99Å; I256-L276 HydrophobicContact CG1-CD2 3.89Å; A271-L276 HydrophobicContact CB-CD1 4.15Å; M274-L276 HydrophobicContact CB-CD1 4.13Å; M274-L276 HydrophobicContact CB-CD2 4.18Å; M274-L276 HydrophobicContact CB-CG 3.76Å; M274-L276 HydrophobicContact SD-CD1 4.25Å; L276-L279 HydrophobicContact CD1-CD2 4.16Å; L276-L294 HydrophobicContact CD1-CD2 4.5Å; L276-N297 HydrophobicContact CB-CB 4.21Å; L276-N297 PolarHBondContact N-OD1 2.89Å; L276-E298 CarbonylContact O-C 3.58Å; L276-E298 VanDerWaalsContact O-CA 3.26Å; L276-E298 WeakPolarHBondContact O-CA 3.36Å; L276-E298 PolarHBondContact O-N 3.41Å; L276-I299 HydrophobicContact CB-CD1 3.84Å; L276-I299 WeakPolarHBondContact O-CD1 3.44Å; L276-I299 PolarHBondContact O-N 2.69Å; L276-I299 VanDerWaalsContact O-N 3.12Å
277	S	80.3	Confident	90.2	Very high	50 Å²	50	32.1 Å²	32.1	35%	0.35	17%	0.172	S	C	.	.	S	Bend	trans	-94	-20.9	175.8	57.3	0	0	0	0	114.3	G275 E298 T300	G275-S277 PolarHBondContact O-N 2.81Å; S277-E298 WeakPolarHBondContact CA-O 3.24Å; S277-T300 PolarHBondContact O-N 2.89Å; S277-T300 VanDerWaalsContact O-N 3.1Å; S277-T300 PolarHBondContact O-OG1 3.46Å
278	T	85.2	Confident	90.1	Very high	54 Å²	54	32.2 Å²	32.2	33%	0.331	18%	0.175	S	C	.	.	S	Bend	trans	-158.6	171.1	173.2	-174.7	0	0	0	0	108.3	S301	T278-S301 PolarHBondContact OG1-O 3.14Å
279	L	88.7	Confident	89.9	Confident	3 Å²	3	31 Å²	31	2%	0.016	17%	0.167	C	C	.	.			trans	-98.8	151.7	165.6	-67.4	176.9	0	0	0	111	I256 L276 I283 L294 L302 F306	I256-L279 HydrophobicContact CD1-CD2 3.95Å; L276-L279 HydrophobicContact CD1-CD2 4.16Å; L279-I283 HydrophobicContact CD1-CD1 3.9Å; L279-L294 HydrophobicContact CD1-CD1 3.81Å; L279-L294 HydrophobicContact CD1-CD2 4.31Å; L279-L294 HydrophobicContact CD2-CD2 4.14Å; L279-L294 HydrophobicContact CG-CD1 4.22Å; L279-L302 HydrophobicContact CB-CD2 4.47Å; L279-L302 HydrophobicContact CD1-CD2 4.05Å; L279-L302 HydrophobicContact CG-CD2 4.22Å; L279-F306 HydrophobicContact CD1-CE2 3.63Å; L279-F306 HydrophobicContact CD1-CZ 4Å
280	P	91.5	Very high	89.8	Confident	22 Å²	22	36.7 Å²	36.7	14%	0.143	19%	0.188	C	C	.	.			trans	-69.7	143.1	174.4	31	-37.1	0	0	0	111	I256 T258 I260 Q282 I283	I256-P280 HydrophobicContact CB-CG 4.47Å; I256-P280 HydrophobicContact CG2-CG 4.36Å; I256-P280 WeakPolarHBondContact O-CG 3.44Å; T258-P280 HydrophobicContact CG2-CB 4.2Å; I260-P280 HydrophobicContact CG2-CG 3.61Å; P280-Q282 PolarHBondContact O-N 2.78Å; P280-Q282 VanDerWaalsContact O-N 3.14Å; P280-I283 VanDerWaalsContact O-CG2 3.25Å; P280-I283 WeakPolarHBondContact O-CG2 3.4Å; P280-I283 PolarHBondContact O-N 2.78Å; P280-I283 VanDerWaalsContact O-N 3.12Å
281	I	89.9	Confident	89.7	Confident	70 Å²	70	36.7 Å²	36.7	36%	0.359	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-57.7	-30.8	-179.2	-171.5	171.2	0	0	0	112.9	I283 I284 P303 E305	I281-I283 PolarHBondContact O-N 2.94Å; I281-I284 HydrophobicContact CG1-CD1 4.23Å; I281-I284 VanDerWaalsContact O-CG1 3.27Å; I281-I284 WeakPolarHBondContact O-CG1 3.24Å; I281-I284 WeakPolarHBondContact O-CG2 3.15Å; I281-I284 PolarHBondContact O-N 2.78Å; I281-P303 HydrophobicContact CB-CB 4.5Å; I281-P303 HydrophobicContact CB-CG 4.45Å; I281-P303 HydrophobicContact CG1-CB 4.39Å; I281-E305 HydrophobicContact CD1-CG 4.15Å; I281-E305 WeakPolarHBondContact CD1-OE2 3.22Å
282	Q	92.9	Very high	89.8	Confident	67 Å²	67	36.7 Å²	36.7	31%	0.313	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-62.4	-14.5	179.4	-70.3	75.5	14	0	0	114.3	T258 G261 P280 I284 N285	T258-Q282 VanDerWaalsContact CG2-OE1 3.25Å; T258-Q282 WeakPolarHBondContact O-CB 3.25Å; G261-Q282 WeakPolarHBondContact CA-O 3.11Å; P280-Q282 PolarHBondContact O-N 2.78Å; P280-Q282 VanDerWaalsContact O-N 3.14Å; Q282-I284 PolarHBondContact O-N 3.19Å; Q282-I284 VanDerWaalsContact O-N 3.11Å; Q282-N285 WeakPolarHBondContact O-CB 3.46Å; Q282-N285 PolarHBondContact O-N 3.09Å
283	I	92.4	Very high	89.9	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-58.1	-24.1	174.2	-160.2	175.2	0	0	0	112.4	I260 L269 L279 P280 I281 N285 C286 L289 I292 F306	I260-I283 HydrophobicContact CG1-CG1 4.45Å; I260-I283 HydrophobicContact CG2-CB 4.34Å; L269-I283 HydrophobicContact CD2-CD1 3.89Å; L279-I283 HydrophobicContact CD1-CD1 3.9Å; P280-I283 VanDerWaalsContact O-CG2 3.25Å; P280-I283 WeakPolarHBondContact O-CG2 3.4Å; P280-I283 PolarHBondContact O-N 2.78Å; P280-I283 VanDerWaalsContact O-N 3.12Å; I281-I283 PolarHBondContact O-N 2.94Å; I283-N285 PolarHBondContact O-N 3.27Å; I283-N285 VanDerWaalsContact O-N 3.12Å; I283-C286 WeakPolarHBondContact O-CB 3.45Å; I283-C286 PolarHBondContact O-N 3.15Å; I283-L289 HydrophobicContact CD1-CD1 4.11Å; I283-L289 HydrophobicContact CG1-CD1 3.83Å; I283-I292 HydrophobicContact CD1-CD1 4.25Å; I283-F306 HydrophobicContact CD1-CE2 4.47Å; I283-F306 HydrophobicContact CG2-CD2 3.91Å; I283-F306 HydrophobicContact CG2-CE2 3.86Å
284	I	90.4	Very high	90	Very high	24 Å²	24	32.3 Å²	32.3	12%	0.123	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-60.2	-20.2	175.2	71.1	-171.4	0	0	0	114.1	I281 Q282 C286 E305 R308	I281-I284 HydrophobicContact CG1-CD1 4.23Å; I281-I284 VanDerWaalsContact O-CG1 3.27Å; I281-I284 WeakPolarHBondContact O-CG1 3.24Å; I281-I284 WeakPolarHBondContact O-CG2 3.15Å; I281-I284 PolarHBondContact O-N 2.78Å; Q282-I284 PolarHBondContact O-N 3.19Å; Q282-I284 VanDerWaalsContact O-N 3.11Å; I284-C286 VanDerWaalsContact C-N 3.28Å; I284-E305 HydrophobicContact CD1-CB 4.2Å; I284-E305 HydrophobicContact CG2-CB 4.21Å; I284-E305 WeakPolarHBondContact CG2-O 3.42Å; I284-R308 HydrophobicContact CB-CB 4.3Å; I284-R308 HydrophobicContact CG2-CB 4.44Å
285	N	91.5	Very high	90	Very high	78 Å²	78	34.4 Å²	34.4	42%	0.417	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-69.8	-27.8	176.1	-65.1	4.8	0	0	0	112	G261 L264 Q282 I283 S287	G261-N285 WeakPolarHBondContact O-CB 3.48Å; G261-N285 PolarHBondContact O-ND2 3.38Å; G261-N285 VanDerWaalsContact O-ND2 3.08Å; L264-N285 HydrophobicContact CD2-CB 4.2Å; Q282-N285 WeakPolarHBondContact O-CB 3.46Å; Q282-N285 PolarHBondContact O-N 3.09Å; I283-N285 PolarHBondContact O-N 3.27Å; I283-N285 VanDerWaalsContact O-N 3.12Å; N285-S287 PolarHBondContact O-N 3.16Å
286	C	92.6	Very high	90	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.			trans	-74.4	55.9	175.7	-56	0	0	0	0	110.5	I260 L263 L266 I283 I284 K288 L289	I260-C286 PolarHBondContact O-SG 2.88Å; L263-C286 PolarHBondContact O-SG 2.73Å; L266-C286 HydrophobicContact CB-CB 4.34Å; I283-C286 WeakPolarHBondContact O-CB 3.45Å; I283-C286 PolarHBondContact O-N 3.15Å; I284-C286 VanDerWaalsContact C-N 3.28Å; C286-K288 PolarHBondContact O-N 3.3Å; C286-L289 HydrophobicContact CB-CD1 3.52Å; C286-L289 HydrophobicContact CB-CG 3.76Å; C286-L289 WeakPolarHBondContact O-CB 3.23Å; C286-L289 WeakPolarHBondContact O-CG 3.49Å; C286-L289 PolarHBondContact O-N 3.37Å
287	S	89.9	Confident	89.8	Confident	44 Å²	44	34.8 Å²	34.8	31%	0.308	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.5	-171.9	63.7	0	0	0	0	114.7	N285	N285-S287 PolarHBondContact O-N 3.16Å
288	K	93.1	Very high	89.6	Confident	73 Å²	73	34.6 Å²	34.6	32%	0.317	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.1	173.4	-72.6	175	169.6	176.8	0	114	E265 L266 R267 C286 R290	E265-K288 IonicContact OE1-NZ 3.99Å; E265-K288 PolarHBondContact OE1-NZ 2.98Å; E265-K288 WeakPolarHBondContact OE2-CD 3.35Å; E265-K288 IonicContact OE2-NZ 3.83Å; E265-K288 PolarHBondContact OE2-NZ 2.66Å; L266-K288 CarbonylContact O-C 3.51Å; R267-K288 HydrophobicContact CG-CB 4.41Å; C286-K288 PolarHBondContact O-N 3.3Å; K288-R290 PolarHBondContact O-N 2.85Å
289	L	94	Very high	89.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.			trans	-57.7	121	179.6	-83	170.3	0	0	0	111.6	L266 L269 I283 C286 I292 L309 K311 L312	L266-L289 HydrophobicContact CB-CD2 4.33Å; L266-L289 HydrophobicContact CD2-CD2 4.01Å; L266-L289 HydrophobicContact CG-CD2 3.85Å; L266-L289 VanDerWaalsContact O-CA 3.25Å; L266-L289 WeakPolarHBondContact O-CA 3.4Å; L266-L289 WeakPolarHBondContact O-CG 3.41Å; L266-L289 PolarHBondContact O-N 3.05Å; L269-L289 HydrophobicContact CB-CD2 4.18Å; I283-L289 HydrophobicContact CD1-CD1 4.11Å; I283-L289 HydrophobicContact CG1-CD1 3.83Å; C286-L289 HydrophobicContact CB-CD1 3.52Å; C286-L289 HydrophobicContact CB-CG 3.76Å; C286-L289 WeakPolarHBondContact O-CB 3.23Å; C286-L289 WeakPolarHBondContact O-CG 3.49Å; C286-L289 PolarHBondContact O-N 3.37Å; L289-I292 HydrophobicContact CD1-CD1 4Å; L289-I292 HydrophobicContact CD1-CG1 4.27Å; L289-I292 HydrophobicContact CD2-CG1 4.28Å; L289-L309 HydrophobicContact CB-CD2 4.45Å; L289-L309 HydrophobicContact CD1-CD1 4.24Å; L289-L309 HydrophobicContact CD1-CD2 4.23Å; L289-K311 CarbonylContact O-C 3.52Å; L289-L312 HydrophobicContact CB-CD1 4.46Å; L289-L312 VanDerWaalsContact O-CA 3.26Å; L289-L312 WeakPolarHBondContact O-CA 3.28Å; L289-L312 PolarHBondContact O-N 3.04Å
290	R	93.1	Very high	88.4	Confident	120 Å²	120	35.8 Å²	35.8	45%	0.453	19%	0.185	S	C	.	.			trans	-104.1	-32.8	174.5	-66.5	-178.9	177.4	-175.1	-1.7	112	R267 K288 K313 A314	R267-R290 WeakPolarHBondContact O-CA 3.42Å; R267-R290 PolarHBondContact O-N 3.34Å; K288-R290 PolarHBondContact O-N 2.85Å; R290-K313 WeakPolarHBondContact O-CA 3.23Å; R290-K313 PolarHBondContact O-N 3.13Å; R290-A314 PolarHBondContact O-N 3.46Å
291	T	93.4	Very high	87.7	Confident	38 Å²	38	37.4 Å²	37.4	23%	0.233	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.3	-178.1	-57.5	0	0	0	0	112.1	R267 C268 L269 A314	R267-T291 PolarHBondContact O-N 3.38Å; C268-T291 WeakPolarHBondContact CA-O 3.35Å; L269-T291 PolarHBondContact N-O 3.34Å; T291-A314 WeakPolarHBondContact CA-O 3.41Å; T291-A314 HydrophobicContact CG2-CB 4.02Å
292	I	94.4	Very high	87.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.2	171	-59.6	167.8	0	0	0	109.4	L269 I283 L289 L294 F306 L309 L312 A314 L315 H316	L269-I292 WeakPolarHBondContact O-CA 3.46Å; I283-I292 HydrophobicContact CD1-CD1 4.25Å; L289-I292 HydrophobicContact CD1-CD1 4Å; L289-I292 HydrophobicContact CD1-CG1 4.27Å; L289-I292 HydrophobicContact CD2-CG1 4.28Å; I292-L294 HydrophobicContact CG2-CD1 4.32Å; I292-L294 HydrophobicContact CG2-CD2 3.65Å; I292-L294 HydrophobicContact CG2-CG 3.85Å; I292-F306 HydrophobicContact CD1-CE2 4.27Å; I292-F306 HydrophobicContact CD1-CZ 3.68Å; I292-L309 HydrophobicContact CD1-CD1 3.82Å; I292-L312 HydrophobicContact CB-CD1 4.31Å; I292-L312 HydrophobicContact CD1-CD1 3.71Å; I292-L312 HydrophobicContact CD1-CD2 4.13Å; I292-L312 HydrophobicContact CG1-CD1 3.67Å; I292-A314 PolarHBondContact N-O 2.95Å; I292-L315 HydrophobicContact CB-CD1 4.19Å; I292-L315 HydrophobicContact CG2-CD1 4.38Å; I292-L315 WeakPolarHBondContact O-CA 3.4Å; I292-H316 PolarHBondContact O-CD2 3.11Å; I292-H316 PolarHBondContact O-N 3.49Å
293	N	92	Very high	86.9	Confident	17 Å²	17	32.5 Å²	32.5	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.4	178.5	-165.4	-44.7	0	0	0	111.5	L269 L270 A271 K272 Y295 H316	L269-N293 PolarHBondContact O-N 3Å; L270-N293 HydrophobicContact CD2-CB 3.55Å; A271-N293 CarbonylContact C-O 3.48Å; A271-N293 PolarHBondContact N-O 2.91Å; K272-N293 WeakPolarHBondContact CG-OD1 3.31Å; N293-Y295 VanDerWaalsContact OD1-CB 3.27Å; N293-Y295 WeakPolarHBondContact OD1-CB 3.25Å; N293-Y295 PolarHBondContact OD1-N 2.96Å; N293-Y295 VanDerWaalsContact OD1-N 3.15Å; N293-H316 HydrophobicContact CB-CB 4.24Å; N293-H316 PolarHBondContact ND2-CD2 3.09Å; N293-H316 VanDerWaalsContact ND2-CD2 3.28Å
294	L	90	Very high	86.1	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.2	C	C	.	.			trans	-114.4	23	-178.3	-47.7	177.4	0	0	0	112.1	A271 L276 L279 I292 G296 N297 I299 H316 L317	A271-L294 HydrophobicContact CB-CD2 4.06Å; L276-L294 HydrophobicContact CD1-CD2 4.5Å; L279-L294 HydrophobicContact CD1-CD1 3.81Å; L279-L294 HydrophobicContact CD1-CD2 4.31Å; L279-L294 HydrophobicContact CD2-CD2 4.14Å; L279-L294 HydrophobicContact CG-CD1 4.22Å; I292-L294 HydrophobicContact CG2-CD1 4.32Å; I292-L294 HydrophobicContact CG2-CD2 3.65Å; I292-L294 HydrophobicContact CG2-CG 3.85Å; L294-G296 PolarHBondContact O-N 2.87Å; L294-N297 VanDerWaalsContact C-ND2 3.28Å; L294-N297 WeakPolarHBondContact CA-ND2 3.36Å; L294-N297 WeakPolarHBondContact O-CB 3.44Å; L294-N297 PolarHBondContact O-N 3.45Å; L294-N297 PolarHBondContact O-ND2 3.32Å; L294-I299 HydrophobicContact CB-CG1 4.31Å; L294-I299 HydrophobicContact CD1-CD1 4.05Å; L294-I299 HydrophobicContact CD1-CG1 3.92Å; L294-H316 PolarHBondContact N-O 3.27Å; L294-L317 HydrophobicContact CB-CD2 4.16Å; L294-L317 HydrophobicContact CD1-CD2 4.04Å
295	Y	86.5	Confident	85.8	Confident	44 Å²	44	39.5 Å²	39.5	17%	0.173	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	127.6	-176.9	-179.5	-99.9	0	0	0	112.9	K272 R273 N293 D318 R407 E1375	K272-Y295 CarbonylContact C-O 3.09Å; K272-Y295 WeakPolarHBondContact CA-O 3.5Å; R273-Y295 PolarHBondContact N-O 3.31Å; N293-Y295 VanDerWaalsContact OD1-CB 3.27Å; N293-Y295 WeakPolarHBondContact OD1-CB 3.25Å; N293-Y295 PolarHBondContact OD1-N 2.96Å; N293-Y295 VanDerWaalsContact OD1-N 3.15Å; Y295-D318 HydrophobicContact CD2-CB 3.21Å; Y295-D318 HydrophobicContact CE2-CB 3.37Å; Y295-D318 WeakPolarHBondContact CE2-OD2 3.44Å; Y295-D318 HydrophobicContact CG-CB 4.04Å; Y295-R407 PolarHBondContact OH-NH2 3.49Å; Y295-E1375 PolarHBondContact OH-OE1 2.96Å
296	G	81.6	Confident	85.3	Confident	21 Å²	21	35.8 Å²	35.8	22%	0.216	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	25.6	176	0	0	0	0	0	115.9	L294 D318	L294-G296 PolarHBondContact O-N 2.87Å; G296-D318 PolarHBondContact N-O 2.79Å
297	N	83.3	Confident	84.5	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-91.9	-173.8	170.3	-77.9	-68	0	0	0	112.3	A271 M274 G275 L276 L294 I299 Y319	A271-N297 PolarHBondContact O-ND2 3.33Å; M274-N297 WeakPolarHBondContact CA-OD1 3.4Å; M274-N297 PolarHBondContact N-OD1 3.01Å; G275-N297 PolarHBondContact N-OD1 2.95Å; L276-N297 HydrophobicContact CB-CB 4.21Å; L276-N297 PolarHBondContact N-OD1 2.89Å; L294-N297 VanDerWaalsContact C-ND2 3.28Å; L294-N297 WeakPolarHBondContact CA-ND2 3.36Å; L294-N297 WeakPolarHBondContact O-CB 3.44Å; L294-N297 PolarHBondContact O-N 3.45Å; L294-N297 PolarHBondContact O-ND2 3.32Å; N297-I299 HydrophobicContact CB-CG1 3.95Å; N297-Y319 WeakPolarHBondContact O-CD2 3.36Å
298	E	76	Confident	84.2	Confident	46 Å²	46	43.1 Å²	43.1	22%	0.215	22%	0.217	C	C	.	.			trans	-105	29.4	174.5	-64.3	-159	144.2	0	0	113.9	L276 S277 T300 Y319 H321 K328	L276-E298 CarbonylContact O-C 3.58Å; L276-E298 VanDerWaalsContact O-CA 3.26Å; L276-E298 WeakPolarHBondContact O-CA 3.36Å; L276-E298 PolarHBondContact O-N 3.41Å; S277-E298 WeakPolarHBondContact CA-O 3.24Å; E298-T300 PolarHBondContact O-N 2.94Å; E298-Y319 HydrophobicContact CB-CE2 4.43Å; E298-H321 IonicContact OE1-CD2 3.87Å; E298-H321 PolarHBondContact OE1-CD2 3.4Å; E298-H321 VanDerWaalsContact OE1-CD2 3.25Å; E298-K328 IonicContact OE2-NZ 3.45Å; E298-K328 PolarHBondContact OE2-NZ 3.17Å
299	I	79	Confident	83.9	Confident	13 Å²	13	39.8 Å²	39.8	7%	0.067	20%	0.203	C	C	.	.			trans	-60.4	108	-172.9	-58.7	-66.7	0	0	0	111.3	L276 L294 N297 L302 L317	L276-I299 HydrophobicContact CB-CD1 3.84Å; L276-I299 WeakPolarHBondContact O-CD1 3.44Å; L276-I299 PolarHBondContact O-N 2.69Å; L276-I299 VanDerWaalsContact O-N 3.12Å; L294-I299 HydrophobicContact CB-CG1 4.31Å; L294-I299 HydrophobicContact CD1-CD1 4.05Å; L294-I299 HydrophobicContact CD1-CG1 3.92Å; N297-I299 HydrophobicContact CB-CG1 3.95Å; I299-L302 HydrophobicContact CG2-CD2 4.04Å; I299-L302 HydrophobicContact CG2-CG 4.3Å; I299-L317 HydrophobicContact CG2-CD2 4.43Å
300	T	69.6	Low	83.3	Confident	70 Å²	70	45.7 Å²	45.7	43%	0.429	23%	0.226	S	C	.	.			trans	-103.5	-17.8	175.5	47.5	0	0	0	0	113.4	S277 E298 Y319 A325	S277-T300 PolarHBondContact O-N 2.89Å; S277-T300 VanDerWaalsContact O-N 3.1Å; S277-T300 PolarHBondContact O-OG1 3.46Å; E298-T300 PolarHBondContact O-N 2.94Å; T300-Y319 HydrophobicContact CG2-CE1 4.49Å; T300-Y319 WeakPolarHBondContact CG2-OH 3.49Å; T300-A325 HydrophobicContact CG2-CB 3.47Å; T300-A325 VanDerWaalsContact CG2-CB 3.47Å
301	S	75.9	Confident	83	Confident	55 Å²	55	43.2 Å²	43.2	39%	0.385	22%	0.218	S	C	.	.			trans	-151	153.9	-178.1	56.1	0	0	0	0	110.3	T278	T278-S301 PolarHBondContact OG1-O 3.14Å
302	L	83.7	Confident	82.9	Confident	15 Å²	15	41.4 Å²	41.4	8%	0.079	21%	0.208	C	C	.	.			trans	-124.3	150	163.8	-65.8	172.8	0	0	0	107.7	L279 I299 F306 P391 A393 I394	L279-L302 HydrophobicContact CB-CD2 4.47Å; L279-L302 HydrophobicContact CD1-CD2 4.05Å; L279-L302 HydrophobicContact CG-CD2 4.22Å; I299-L302 HydrophobicContact CG2-CD2 4.04Å; I299-L302 HydrophobicContact CG2-CG 4.3Å; L302-F306 HydrophobicContact CB-CB 4.47Å; L302-F306 HydrophobicContact CB-CG 4.36Å; L302-F306 HydrophobicContact CD1-CD1 4.06Å; L302-F306 HydrophobicContact CD1-CE1 3.94Å; L302-F306 HydrophobicContact CD1-CZ 4.4Å; L302-F306 HydrophobicContact CD2-CE2 4.42Å; L302-F306 HydrophobicContact CD2-CZ 4.43Å; L302-P391 HydrophobicContact CB-CB 4.41Å; L302-P391 HydrophobicContact CD1-CB 4.5Å; L302-P391 HydrophobicContact CG-CB 4.34Å; L302-P391 HydrophobicContact CG-CG 4.49Å; L302-A393 HydrophobicContact CB-CB 4.23Å; L302-I394 HydrophobicContact CD1-CD1 4.27Å; L302-I394 HydrophobicContact CD1-CG1 3.85Å
303	P	82.3	Confident	82.7	Confident	20 Å²	20	46.8 Å²	46.8	13%	0.13	23%	0.231	C	C	.	.			trans	-54.7	146	176.4	-25.5	34.3	0	0	0	112.2	I281 E305 F306 A393	I281-P303 HydrophobicContact CB-CB 4.5Å; I281-P303 HydrophobicContact CB-CG 4.45Å; I281-P303 HydrophobicContact CG1-CB 4.39Å; P303-E305 PolarHBondContact O-N 2.97Å; P303-F306 WeakPolarHBondContact O-CB 3.44Å; P303-F306 PolarHBondContact O-N 3.3Å; P303-A393 WeakPolarHBondContact O-CB 3.17Å
304	D	75.3	Confident	82.7	Confident	103 Å²	103	46.6 Å²	46.6	55%	0.551	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-66.1	-26	-179.9	-99.9	-55	0	0	0	112.6	F306 K396	D304-F306 VanDerWaalsContact C-N 3.3Å; D304-K396 PolarHBondContact O-NZ 3.14Å; D304-K396 VanDerWaalsContact O-NZ 3.1Å; D304-K396 IonicContact OD1-NZ 2.62Å; D304-K396 PolarHBondContact OD1-NZ 2.98Å
305	E	84.2	Confident	82.8	Confident	69 Å²	69	46.6 Å²	46.6	32%	0.322	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-77	-8	173.9	-56.9	79.7	-178.2	0	0	113.6	I281 I284 P303 S307 R308	I281-E305 HydrophobicContact CD1-CG 4.15Å; I281-E305 WeakPolarHBondContact CD1-OE2 3.22Å; I284-E305 HydrophobicContact CD1-CB 4.2Å; I284-E305 HydrophobicContact CG2-CB 4.21Å; I284-E305 WeakPolarHBondContact CG2-O 3.42Å; P303-E305 PolarHBondContact O-N 2.97Å; E305-S307 PolarHBondContact O-N 3.37Å; E305-R308 VanDerWaalsContact O-CB 3.25Å; E305-R308 WeakPolarHBondContact O-CB 3.45Å; E305-R308 WeakPolarHBondContact O-CG 3.22Å; E305-R308 PolarHBondContact O-N 3.17Å
306	F	81.9	Confident	82.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-57.8	-21.8	-179.8	-164.2	-99.9	0	0	0	112.3	L279 I283 I292 L302 P303 D304 R308 L309 L312 A393 L397	L279-F306 HydrophobicContact CD1-CE2 3.63Å; L279-F306 HydrophobicContact CD1-CZ 4Å; I283-F306 HydrophobicContact CD1-CE2 4.47Å; I283-F306 HydrophobicContact CG2-CD2 3.91Å; I283-F306 HydrophobicContact CG2-CE2 3.86Å; I292-F306 HydrophobicContact CD1-CE2 4.27Å; I292-F306 HydrophobicContact CD1-CZ 3.68Å; L302-F306 HydrophobicContact CB-CB 4.47Å; L302-F306 HydrophobicContact CB-CG 4.36Å; L302-F306 HydrophobicContact CD1-CD1 4.06Å; L302-F306 HydrophobicContact CD1-CE1 3.94Å; L302-F306 HydrophobicContact CD1-CZ 4.4Å; L302-F306 HydrophobicContact CD2-CE2 4.42Å; L302-F306 HydrophobicContact CD2-CZ 4.43Å; P303-F306 WeakPolarHBondContact O-CB 3.44Å; P303-F306 PolarHBondContact O-N 3.3Å; D304-F306 VanDerWaalsContact C-N 3.3Å; F306-R308 PolarHBondContact O-N 2.7Å; F306-R308 VanDerWaalsContact O-N 3.11Å; F306-L309 HydrophobicContact CD2-CD1 3.99Å; F306-L309 HydrophobicContact CE1-CD1 4.26Å; F306-L309 HydrophobicContact CE2-CD1 3.69Å; F306-L309 HydrophobicContact CG-CD1 4.4Å; F306-L309 HydrophobicContact CZ-CD1 3.85Å; F306-L309 WeakPolarHBondContact O-CB 3.34Å; F306-L309 PolarHBondContact O-N 2.6Å; F306-L309 VanDerWaalsContact O-N 3.11Å; F306-L312 HydrophobicContact CE1-CD2 4.15Å; F306-A393 HydrophobicContact CB-CB 4.48Å; F306-L397 HydrophobicContact CD1-CD1 4.29Å; F306-L397 HydrophobicContact CD1-CD2 4.29Å; F306-L397 HydrophobicContact CE1-CD1 4.25Å
307	S	75.8	Confident	83.1	Confident	42 Å²	42	45.6 Å²	45.6	29%	0.294	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-58.7	-15.8	169.2	70.6	0	0	0	0	115	E305 L309 K396	E305-S307 PolarHBondContact O-N 3.37Å; S307-L309 PolarHBondContact O-N 2.95Å; S307-K396 VanDerWaalsContact CB-CB 3.4Å
308	R	83.7	Confident	82.7	Confident	156 Å²	156	45.7 Å²	45.7	59%	0.589	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-72.3	-10.8	174.3	-68.3	178.3	178.5	176.4	2	113.2	I284 E305 F306 Y310	I284-R308 HydrophobicContact CB-CB 4.3Å; I284-R308 HydrophobicContact CG2-CB 4.44Å; E305-R308 VanDerWaalsContact O-CB 3.25Å; E305-R308 WeakPolarHBondContact O-CB 3.45Å; E305-R308 WeakPolarHBondContact O-CG 3.22Å; E305-R308 PolarHBondContact O-N 3.17Å; F306-R308 PolarHBondContact O-N 2.7Å; F306-R308 VanDerWaalsContact O-N 3.11Å; R308-Y310 WeakPolarHBondContact O-CD1 3.38Å; R308-Y310 PolarHBondContact O-N 3.41Å
309	L	86.9	Confident	82.1	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	22%	0.217	C	C	.	.			trans	-75.7	60.8	170.7	-63.8	-179.4	0	0	0	111.1	L289 I292 F306 S307 K311 L312	L289-L309 HydrophobicContact CB-CD2 4.45Å; L289-L309 HydrophobicContact CD1-CD1 4.24Å; L289-L309 HydrophobicContact CD1-CD2 4.23Å; I292-L309 HydrophobicContact CD1-CD1 3.82Å; F306-L309 HydrophobicContact CD2-CD1 3.99Å; F306-L309 HydrophobicContact CE1-CD1 4.26Å; F306-L309 HydrophobicContact CE2-CD1 3.69Å; F306-L309 HydrophobicContact CG-CD1 4.4Å; F306-L309 HydrophobicContact CZ-CD1 3.85Å; F306-L309 WeakPolarHBondContact O-CB 3.34Å; F306-L309 PolarHBondContact O-N 2.6Å; F306-L309 VanDerWaalsContact O-N 3.11Å; S307-L309 PolarHBondContact O-N 2.95Å; L309-K311 PolarHBondContact O-N 2.98Å; L309-K311 VanDerWaalsContact O-N 3.1Å; L309-L312 HydrophobicContact CB-CB 4.16Å; L309-L312 WeakPolarHBondContact O-CB 3.29Å; L309-L312 PolarHBondContact O-N 3.06Å
310	Y	81.3	Confident	81.3	Confident	124 Å²	124	50 Å²	50	49%	0.486	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.5	-172.7	72.9	-87	0	0	0	114.4	R308 R399	R308-Y310 WeakPolarHBondContact O-CD1 3.38Å; R308-Y310 PolarHBondContact O-N 3.41Å; Y310-R399 WeakPolarHBondContact O-CD 3.26Å
311	K	86.6	Confident	80.9	Confident	68 Å²	68	48.9 Å²	48.9	30%	0.296	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.9	171.9	-63.9	-164.1	172.4	-168.4	0	113.6	L289 L309 K313	L289-K311 CarbonylContact O-C 3.52Å; L309-K311 PolarHBondContact O-N 2.98Å; L309-K311 VanDerWaalsContact O-N 3.1Å; K311-K313 PolarHBondContact O-N 3.19Å
312	L	90.4	Very high	80.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	21%	0.211	C	C	.	.			trans	-70.5	116.7	-177.4	-167	71.6	0	0	0	111.1	L289 I292 F306 L309 L397 R399 L400	L289-L312 HydrophobicContact CB-CD1 4.46Å; L289-L312 VanDerWaalsContact O-CA 3.26Å; L289-L312 WeakPolarHBondContact O-CA 3.28Å; L289-L312 PolarHBondContact O-N 3.04Å; I292-L312 HydrophobicContact CB-CD1 4.31Å; I292-L312 HydrophobicContact CD1-CD1 3.71Å; I292-L312 HydrophobicContact CD1-CD2 4.13Å; I292-L312 HydrophobicContact CG1-CD1 3.67Å; F306-L312 HydrophobicContact CE1-CD2 4.15Å; L309-L312 HydrophobicContact CB-CB 4.16Å; L309-L312 WeakPolarHBondContact O-CB 3.29Å; L309-L312 PolarHBondContact O-N 3.06Å; L312-L397 HydrophobicContact CD2-CD1 4.01Å; L312-L397 HydrophobicContact CD2-CD2 4.21Å; L312-R399 CarbonylContact O-C 3.42Å; L312-L400 HydrophobicContact CD2-CD1 4.37Å; L312-L400 HydrophobicContact CG-CD1 4.28Å; L312-L400 PolarHBondContact O-N 2.89Å
313	K	90.6	Very high	79.2	Confident	113 Å²	113	46.6 Å²	46.6	49%	0.491	21%	0.21	S	C	.	.			trans	-98.3	-40.6	177.3	-68.6	-168.7	178.2	-171.6	0	112	R290 K311 L400 T401 A402	R290-K313 WeakPolarHBondContact O-CA 3.23Å; R290-K313 PolarHBondContact O-N 3.13Å; K311-K313 PolarHBondContact O-N 3.19Å; K313-L400 WeakPolarHBondContact O-CD1 3.38Å; K313-T401 PolarHBondContact O-N 3.25Å; K313-T401 PolarHBondContact O-OG1 2.88Å; K313-A402 PolarHBondContact O-N 3.25Å
314	A	91.7	Very high	78	Confident	13 Å²	13	50.9 Å²	50.9	11%	0.107	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.7	-175	0	0	0	0	0	113.2	R290 T291 I292 A402	R290-A314 PolarHBondContact O-N 3.46Å; T291-A314 WeakPolarHBondContact CA-O 3.41Å; T291-A314 HydrophobicContact CG2-CB 4.02Å; I292-A314 PolarHBondContact N-O 2.95Å; A314-A402 WeakPolarHBondContact CA-O 3.42Å; A314-A402 HydrophobicContact CB-CB 4.16Å
315	L	92.1	Very high	77.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.1	175	179.9	63.4	0	0	0	110.1	I292 L317 I394 L397 L400 A402 H404	I292-L315 HydrophobicContact CB-CD1 4.19Å; I292-L315 HydrophobicContact CG2-CD1 4.38Å; I292-L315 WeakPolarHBondContact O-CA 3.4Å; L315-L317 HydrophobicContact CD2-CD1 4.35Å; L315-L317 HydrophobicContact CG-CG 4.41Å; L315-I394 HydrophobicContact CD2-CD1 4.07Å; L315-I394 HydrophobicContact CD2-CG1 3.95Å; L315-I394 HydrophobicContact CD2-CG2 4.29Å; L315-L397 HydrophobicContact CD2-CD1 4.17Å; L315-L400 HydrophobicContact CB-CD1 3.84Å; L315-L400 HydrophobicContact CB-CD2 4.46Å; L315-A402 PolarHBondContact N-O 2.81Å; L315-A402 VanDerWaalsContact N-O 3.12Å; L315-H404 PolarHBondContact O-N 3.05Å
316	H	89.6	Confident	75.8	Confident	29 Å²	29	46.1 Å²	46.1	13%	0.134	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.1	178.6	-42.3	-109.1	0	0	0	112.1	I292 N293 L294 H404	I292-H316 PolarHBondContact O-CD2 3.11Å; I292-H316 PolarHBondContact O-N 3.49Å; N293-H316 HydrophobicContact CB-CB 4.24Å; N293-H316 PolarHBondContact ND2-CD2 3.09Å; N293-H316 VanDerWaalsContact ND2-CD2 3.28Å; L294-H316 PolarHBondContact N-O 3.27Å; H316-H404 HydrophobicContact CB-CB 4.19Å; H316-H404 AromaticContact CE1-CD2 3.53Å; H316-H404 AromaticContact CE1-CE1 3.92Å; H316-H404 AromaticContact CE1-NE2 3.2Å; H316-H404 PolarHBondContact CE1-NE2 3.2Å; H316-H404 AromaticContact CG-CD2 3.71Å; H316-H404 AromaticContact ND1-CD2 2.98Å; H316-H404 PolarHBondContact ND1-CD2 3.17Å; H316-H404 AromaticContact ND1-CE1 3.62Å; H316-H404 AromaticContact ND1-CG 3.44Å; H316-H404 AromaticContact ND1-ND1 3.8Å; H316-H404 AromaticContact ND1-NE2 3.08Å; H316-H404 PolarHBondContact ND1-NE2 3.11Å
317	L	84.4	Confident	74.7	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.084	22%	0.216	C	C	.	.			trans	-133.1	134.7	176.4	-60.2	168.1	0	0	0	109.5	L294 I299 L315 I394 H404 L405	L294-L317 HydrophobicContact CB-CD2 4.16Å; L294-L317 HydrophobicContact CD1-CD2 4.04Å; I299-L317 HydrophobicContact CG2-CD2 4.43Å; L315-L317 HydrophobicContact CD2-CD1 4.35Å; L315-L317 HydrophobicContact CG-CG 4.41Å; L317-I394 HydrophobicContact CD1-CD1 3.5Å; L317-I394 VanDerWaalsContact CD1-CD1 3.5Å; L317-H404 PolarHBondContact N-O 3.07Å; L317-H404 CarbonylContact O-C 3.28Å; L317-H404 VanDerWaalsContact O-O 3.1Å; L317-L405 HydrophobicContact CB-CD2 4.27Å; L317-L405 HydrophobicContact CD1-CD2 4.08Å; L317-L405 WeakPolarHBondContact O-CA 3.48Å
318	D	75.6	Confident	73.4	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	22%	0.22	C	C	.	.			trans	-135	134.2	166	167.5	-56.9	0	0	0	106.6	Y295 G296 D406 R407	Y295-D318 HydrophobicContact CD2-CB 3.21Å; Y295-D318 HydrophobicContact CE2-CB 3.37Å; Y295-D318 WeakPolarHBondContact CE2-OD2 3.44Å; Y295-D318 HydrophobicContact CG-CB 4.04Å; G296-D318 PolarHBondContact N-O 2.79Å; D318-D406 WeakPolarHBondContact CA-O 3.48Å; D318-R407 WeakPolarHBondContact OD2-CB 3.22Å; D318-R407 WeakPolarHBondContact OD2-CD 3.46Å; D318-R407 WeakPolarHBondContact OD2-CG 3.43Å; D318-R407 IonicContact OD2-NE 3.35Å
319	Y	64.1	Low	71.1	Confident	21 Å²	21	49.2 Å²	49.2	8%	0.082	23%	0.234	C	C	.	.			trans	-143.5	75.8	-170	-165.3	-141.2	0	0	0	115.2	N297 E298 T300 H321 F322 A325	N297-Y319 WeakPolarHBondContact O-CD2 3.36Å; E298-Y319 HydrophobicContact CB-CE2 4.43Å; T300-Y319 HydrophobicContact CG2-CE1 4.49Å; T300-Y319 WeakPolarHBondContact CG2-OH 3.49Å; Y319-H321 HydrophobicContact CD2-CB 3.76Å; Y319-H321 HydrophobicContact CE2-CB 3.33Å; Y319-H321 VanDerWaalsContact CZ-C 3.46Å; Y319-H321 PolarHBondContact O-N 3.4Å; Y319-H321 PolarHBondContact OH-O 3.14Å; Y319-F322 HydrophobicContact CD1-CB 3.78Å; Y319-F322 HydrophobicContact CE1-CB 3.52Å; Y319-F322 HydrophobicContact CE1-CD2 4.49Å; Y319-A325 WeakPolarHBondContact OH-CB 3.49Å
320	R	62.6	Low	68.7	Low	129 Å²	129	59.4 Å²	59.4	49%	0.487	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	13.3	168.7	-63.1	-177.9	-75.3	165.1	-2	115.6	R407	R320-R407 HydrophobicContact CG-CB 4.45Å
321	H	61.3	Low	66.4	Low	47 Å²	47	63.4 Å²	63.4	22%	0.218	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	4.7	-160.3	-77.3	62.6	0	0	0	115	E298 Y319 I323 K324 A325	E298-H321 IonicContact OE1-CD2 3.87Å; E298-H321 PolarHBondContact OE1-CD2 3.4Å; E298-H321 VanDerWaalsContact OE1-CD2 3.25Å; Y319-H321 HydrophobicContact CD2-CB 3.76Å; Y319-H321 HydrophobicContact CE2-CB 3.33Å; Y319-H321 VanDerWaalsContact CZ-C 3.46Å; Y319-H321 PolarHBondContact O-N 3.4Å; Y319-H321 PolarHBondContact OH-O 3.14Å; H321-I323 VanDerWaalsContact C-N 3.28Å; H321-I323 PolarHBondContact O-N 3.16Å; H321-K324 HydrophobicContact CB-CD 4.36Å; H321-K324 WeakPolarHBondContact CD2-CD 3.49Å; H321-K324 PolarHBondContact CD2-NZ 3.06Å; H321-K324 VanDerWaalsContact CD2-NZ 3.34Å; H321-K324 PolarHBondContact NE2-NZ 2.91Å; H321-K324 WeakPolarHBondContact O-CA 3.26Å; H321-K324 WeakPolarHBondContact O-CB 3.24Å; H321-K324 PolarHBondContact O-N 3.08Å; H321-A325 PolarHBondContact O-N 3.29Å; H321-A325 VanDerWaalsContact O-N 3.16Å
322	F	60.1	Low	63.9	Low	11 Å²	11	63.7 Å²	63.7	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-53.6	-46.5	-179.5	162.1	-116.6	0	0	0	112.6	Y319 K324 A325 L326 L380 M385 H389	Y319-F322 HydrophobicContact CD1-CB 3.78Å; Y319-F322 HydrophobicContact CE1-CB 3.52Å; Y319-F322 HydrophobicContact CE1-CD2 4.49Å; F322-K324 VanDerWaalsContact C-N 3.28Å; F322-K324 PolarHBondContact O-N 3.05Å; F322-A325 WeakPolarHBondContact O-CB 3.37Å; F322-A325 PolarHBondContact O-N 2.84Å; F322-L326 HydrophobicContact CE1-CD1 4Å; F322-L326 HydrophobicContact CE2-CD1 3.96Å; F322-L326 HydrophobicContact CE2-CD2 4.18Å; F322-L326 HydrophobicContact CE2-CG 3.69Å; F322-L326 HydrophobicContact CZ-CD1 3.34Å; F322-L326 HydrophobicContact CZ-CD2 4.28Å; F322-L326 HydrophobicContact CZ-CG 3.64Å; F322-L326 PolarHBondContact O-N 2.93Å; F322-L380 HydrophobicContact CD1-CD1 3.8Å; F322-L380 HydrophobicContact CE1-CD1 3.94Å; F322-L380 HydrophobicContact CE1-CD2 4.39Å; F322-M385 HydrophobicContact CE1-CE 4.03Å; F322-H389 AromaticContact CD1-CD2 3.78Å; F322-H389 HydrophobicContact CD2-CB 3.85Å; F322-H389 AromaticContact CD2-CD2 3.68Å; F322-H389 AromaticContact CD2-CG 3.43Å; F322-H389 VanDerWaalsContact CD2-CG 3.43Å; F322-H389 AromaticContact CD2-ND1 3.96Å; F322-H389 AromaticContact CE1-CD2 3.4Å; F322-H389 WeakPolarHBondContact CE1-CD2 3.39Å; F322-H389 AromaticContact CE1-NE2 3.55Å; F322-H389 HydrophobicContact CE2-CB 4.1Å; F322-H389 AromaticContact CE2-CD2 3.32Å; F322-H389 WeakPolarHBondContact CE2-CD2 3.24Å; F322-H389 AromaticContact CE2-CE1 3.49Å; F322-H389 VanDerWaalsContact CE2-CE1 3.49Å; F322-H389 WeakPolarHBondContact CE2-CE1 3.5Å; F322-H389 AromaticContact CE2-CG 3.19Å; F322-H389 AromaticContact CE2-ND1 3.29Å; F322-H389 VanDerWaalsContact CE2-ND1 3.29Å; F322-H389 WeakPolarHBondContact CE2-ND1 3.27Å; F322-H389 AromaticContact CE2-NE2 3.54Å; F322-H389 HydrophobicContact CG-CB 4.37Å; F322-H389 AromaticContact CG-CD2 3.91Å; F322-H389 AromaticContact CZ-CD2 3.16Å; F322-H389 WeakPolarHBondContact CZ-CD2 3.28Å; F322-H389 AromaticContact CZ-CE1 3.37Å; F322-H389 WeakPolarHBondContact CZ-CE1 3.42Å; F322-H389 AromaticContact CZ-CG 3.58Å; F322-H389 AromaticContact CZ-ND1 3.69Å; F322-H389 AromaticContact CZ-NE2 3.06Å; F322-H389 WeakPolarHBondContact CZ-NE2 3.34Å
323	I	62	Low	61.1	Low	11 Å²	11	68.7 Å²	68.7	6%	0.056	34%	0.335	C	S	.	.	H	α-helix	trans	-56.4	-42.8	177.5	-65.5	171.4	0	0	0	111.3	H321 A325 L326 I327 A373 L376 D377 L380 Q409	H321-I323 VanDerWaalsContact C-N 3.28Å; H321-I323 PolarHBondContact O-N 3.16Å; I323-A325 VanDerWaalsContact C-N 3.28Å; I323-A325 PolarHBondContact O-N 2.98Å; I323-L326 PolarHBondContact O-N 2.94Å; I323-I327 HydrophobicContact CG2-CD1 3.69Å; I323-I327 VanDerWaalsContact O-CD1 3.22Å; I323-I327 WeakPolarHBondContact O-CD1 3.42Å; I323-I327 VanDerWaalsContact O-CG1 3.29Å; I323-I327 WeakPolarHBondContact O-CG1 3.4Å; I323-I327 PolarHBondContact O-N 2.92Å; I323-A373 HydrophobicContact CG2-CB 3.3Å; I323-A373 WeakPolarHBondContact CG2-O 3.35Å; I323-L376 HydrophobicContact CG1-CB 4.11Å; I323-L376 HydrophobicContact CG2-CB 3.99Å; I323-L376 HydrophobicContact CG2-CD1 4.23Å; I323-D377 VanDerWaalsContact CD1-CA 3.43Å; I323-D377 HydrophobicContact CD1-CB 3.5Å; I323-D377 VanDerWaalsContact CD1-CB 3.5Å; I323-D377 WeakPolarHBondContact CD1-OD1 3.46Å; I323-L380 HydrophobicContact CD1-CD1 4.23Å; I323-L380 HydrophobicContact CG1-CD1 4.06Å; I323-Q409 VanDerWaalsContact CD1-NE2 3.29Å
324	K	58	Low	58.4	Low	110 Å²	110	71 Å²	71	48%	0.478	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-31.9	176.2	-72	171.5	170.7	-175.1	0	112.3	H321 F322 I327 K328	H321-K324 HydrophobicContact CB-CD 4.36Å; H321-K324 WeakPolarHBondContact CD2-CD 3.49Å; H321-K324 PolarHBondContact CD2-NZ 3.06Å; H321-K324 VanDerWaalsContact CD2-NZ 3.34Å; H321-K324 PolarHBondContact NE2-NZ 2.91Å; H321-K324 WeakPolarHBondContact O-CA 3.26Å; H321-K324 WeakPolarHBondContact O-CB 3.24Å; H321-K324 PolarHBondContact O-N 3.08Å; F322-K324 VanDerWaalsContact C-N 3.28Å; F322-K324 PolarHBondContact O-N 3.05Å; K324-I327 PolarHBondContact O-N 2.94Å; K324-K328 PolarHBondContact O-N 2.68Å
325	A	56.2	Low	55.7	Low	27 Å²	27	72.3 Å²	72.3	22%	0.223	35%	0.352	C	S	.	.	H	α-helix	trans	-68.6	-38	176.3	0	0	0	0	0	113.1	T300 Y319 H321 F322 I323 I327	T300-A325 HydrophobicContact CG2-CB 3.47Å; T300-A325 VanDerWaalsContact CG2-CB 3.47Å; Y319-A325 WeakPolarHBondContact OH-CB 3.49Å; H321-A325 PolarHBondContact O-N 3.29Å; H321-A325 VanDerWaalsContact O-N 3.16Å; F322-A325 WeakPolarHBondContact O-CB 3.37Å; F322-A325 PolarHBondContact O-N 2.84Å; I323-A325 VanDerWaalsContact C-N 3.28Å; I323-A325 PolarHBondContact O-N 2.98Å; A325-I327 PolarHBondContact O-N 3.26Å
326	L	56.6	Low	53	Low	45 Å²	45	79.1 Å²	79.1	24%	0.236	38%	0.381	C	S	.	.	H	α-helix	trans	-62.5	-25.9	170.9	-75	-175.9	0	0	0	113	F322 I323 V335 L376	F322-L326 HydrophobicContact CE1-CD1 4Å; F322-L326 HydrophobicContact CE2-CD1 3.96Å; F322-L326 HydrophobicContact CE2-CD2 4.18Å; F322-L326 HydrophobicContact CE2-CG 3.69Å; F322-L326 HydrophobicContact CZ-CD1 3.34Å; F322-L326 HydrophobicContact CZ-CD2 4.28Å; F322-L326 HydrophobicContact CZ-CG 3.64Å; F322-L326 PolarHBondContact O-N 2.93Å; I323-L326 PolarHBondContact O-N 2.94Å; L326-V335 HydrophobicContact CD2-CG2 4.09Å; L326-L376 HydrophobicContact CB-CD1 3.96Å; L326-L376 HydrophobicContact CD1-CD1 3.69Å; L326-L376 HydrophobicContact CD1-CD2 3.89Å; L326-L376 HydrophobicContact CD1-CG 4.41Å; L326-L376 HydrophobicContact CG-CD1 4.49Å
327	I	59.2	Low	50.3	Low	37 Å²	37	78.3 Å²	78.3	19%	0.19	38%	0.377	C	S	.	.	H	α-helix	trans	-99	-10.7	-171.9	-64.7	163.1	0	0	0	112.7	I323 K324 A325 P329 A369 I372 A373 L376	I323-I327 HydrophobicContact CG2-CD1 3.69Å; I323-I327 VanDerWaalsContact O-CD1 3.22Å; I323-I327 WeakPolarHBondContact O-CD1 3.42Å; I323-I327 VanDerWaalsContact O-CG1 3.29Å; I323-I327 WeakPolarHBondContact O-CG1 3.4Å; I323-I327 PolarHBondContact O-N 2.92Å; K324-I327 PolarHBondContact O-N 2.94Å; A325-I327 PolarHBondContact O-N 3.26Å; I327-P329 WeakPolarHBondContact O-CD 3.26Å; I327-A369 HydrophobicContact CG2-CB 3.61Å; I327-I372 HydrophobicContact CD1-CB 4.15Å; I327-I372 HydrophobicContact CD1-CG2 4Å; I327-I372 HydrophobicContact CG1-CB 4.23Å; I327-I372 HydrophobicContact CG1-CG2 3.76Å; I327-A373 HydrophobicContact CD1-CB 3.43Å; I327-A373 VanDerWaalsContact CD1-CB 3.43Å; I327-L376 HydrophobicContact CD1-CD1 4.13Å; I327-L376 HydrophobicContact CG1-CD1 4.19Å
328	K	47.9	Very low	47.8	Very low	89 Å²	89	80.2 Å²	80.2	39%	0.387	39%	0.39	S	S	.	.	S	Bend	trans	-58.5	125.6	171.4	-82.3	179.6	-179.1	-179.5	0	109.2	E298 K324 R330	E298-K328 IonicContact OE2-NZ 3.45Å; E298-K328 PolarHBondContact OE2-NZ 3.17Å; K324-K328 PolarHBondContact O-N 2.68Å; K328-R330 PolarHBondContact O-N 2.86Å
329	P	35.2	Very low	45.6	Very low	136 Å²	136	83.9 Å²	83.9	88%	0.883	41%	0.409	S	S	*	.	S	Bend	trans	-74.9	71	-174.7	30.7	-36.4	0	0	0	111.9	I327	I327-P329 WeakPolarHBondContact O-CD 3.26Å
330	R	36.8	Very low	44	Very low	217 Å²	217	89.4 Å²	89.4	82%	0.819	43%	0.434	S	S	*	.	S	Bend	trans	-107.3	173.2	165.6	-76.2	-175.5	167.1	176.1	-3.3	109.3	K328 V332	K328-R330 PolarHBondContact O-N 2.86Å; R330-V332 PolarHBondContact O-N 3.45Å
331	K	33.1	Very low	42.5	Very low	208 Å²	208	89.7 Å²	89.7	90%	0.904	44%	0.444	S	S	*	.			trans	-72.2	70.4	179.5	-64.3	175.2	-178.4	172.1	0	111.2	S333	K331-S333 PolarHBondContact O-N 2.91Å
332	V	35	Very low	41	Very low	74 Å²	74	95.4 Å²	95.4	45%	0.448	48%	0.476	S	S	.	.			trans	-77.6	68.7	175	-167	0	0	0	0	109.7	R330 K334 V335	R330-V332 PolarHBondContact O-N 3.45Å; V332-K334 PolarHBondContact O-N 3.44Å; V332-V335 HydrophobicContact CG1-CG2 3.5Å; V332-V335 VanDerWaalsContact CG1-CG2 3.5Å
333	S	30.6	Very low	39.6	Very low	105 Å²	105	99.5 Å²	99.5	73%	0.734	51%	0.506	S	S	*	.			trans	-70.5	108.5	169.9	50.6	0	0	0	0	109.2	K331	K331-S333 PolarHBondContact O-N 2.91Å
334	K	33.7	Very low	38	Very low	163 Å²	163	104.3 Å²	104.3	71%	0.709	54%	0.536	S	S	*	.			trans	70.5	89.7	-178.4	-54.5	-179.5	178.3	-177.5	0	115.2	V332	V332-K334 PolarHBondContact O-N 3.44Å
335	V	36	Very low	36.7	Very low	40 Å²	40	105.7 Å²	105.7	24%	0.242	55%	0.549	C	S	.	.			trans	-77.6	115.6	143.8	-175.6	0	0	0	0	106.8	L326 V332 M337	L326-V335 HydrophobicContact CD2-CG2 4.09Å; V332-V335 HydrophobicContact CG1-CG2 3.5Å; V332-V335 VanDerWaalsContact CG1-CG2 3.5Å; V335-M337 PolarHBondContact O-N 3.12Å
336	K	36.1	Very low	35.4	Very low	142 Å²	142	113.3 Å²	113.3	62%	0.617	58%	0.58	S	S	*	*			trans	-82	93	167.1	-91.4	-157.5	167.5	-153.1	0	109.2	T353	K336-T353 HydrophobicContact CG-CG2 4.4Å
337	M	32.3	Very low	34.1	Very low	12 Å²	12	116.5 Å²	116.5	6%	0.059	61%	0.613	C	S	.	*			trans	-66.4	135.9	156.3	-74.9	-72.7	-160.5	0	0	108.8	V335 I354 L376 L379 M385	V335-M337 PolarHBondContact O-N 3.12Å; M337-I354 HydrophobicContact CG-CD1 4.34Å; M337-I354 HydrophobicContact CG-CG1 4.46Å; M337-L376 HydrophobicContact CE-CD2 3.63Å; M337-L379 HydrophobicContact CE-CD1 3.67Å; M337-M385 HydrophobicContact CE-CE 4.41Å; M337-M385 HydrophobicContact CE-SD 3.54Å; M337-M385 VanDerWaalsContact CE-SD 3.54Å; M337-M385 HydrophobicContact SD-CB 4.05Å; M337-M385 HydrophobicContact SD-CG 3.82Å; M337-M385 HydrophobicContact SD-SD 3.43Å
338	V	32.5	Very low	32.8	Very low	56 Å²	56	117.6 Å²	117.6	34%	0.339	63%	0.633	S	S	.	*			trans	-128.1	96.6	167.6	-171.6	0	0	0	0	107.4	F340	V338-F340 HydrophobicContact CB-CE2 4.34Å; V338-F340 HydrophobicContact CG1-CD2 3.86Å; V338-F340 HydrophobicContact CG1-CE2 3.49Å; V338-F340 VanDerWaalsContact CG1-CE2 3.49Å; V338-F340 HydrophobicContact CG1-CZ 4.19Å; V338-F340 PolarHBondContact O-N 2.88Å
339	N	29.5	Very low	31.9	Very low	81 Å²	81	120 Å²	120	43%	0.433	65%	0.65	S	S	.	*			trans	-69.1	111.8	168.2	-78.9	10.3	0	0	0	107.9
340	F	29.7	Very low	31.6	Very low	137 Å²	137	120.4 Å²	120.4	60%	0.601	65%	0.645	S	S	*	*			trans	-87	106.5	157.8	-79.4	-89.9	0	0	0	107.4	V338	V338-F340 HydrophobicContact CB-CE2 4.34Å; V338-F340 HydrophobicContact CG1-CD2 3.86Å; V338-F340 HydrophobicContact CG1-CE2 3.49Å; V338-F340 VanDerWaalsContact CG1-CE2 3.49Å; V338-F340 HydrophobicContact CG1-CZ 4.19Å; V338-F340 PolarHBondContact O-N 2.88Å
341	I	31.4	Very low	31.1	Very low	135 Å²	135	112.8 Å²	112.8	69%	0.692	62%	0.62	S	S	*	*			trans	-84.9	125.4	157	-62.7	175	0	0	0	104.9	S343	I341-S343 VanDerWaalsContact C-N 3.31Å; I341-S343 PolarHBondContact O-N 3.35Å
342	D	28.7	Very low	31.1	Very low	167 Å²	167	108.3 Å²	108.3	89%	0.893	61%	0.605	S	S	*	*			trans	-71.6	91.2	171.8	-77.9	-45.1	0	0	0	109.3
343	S	30.4	Very low	30.7	Very low	97 Å²	97	108 Å²	108	68%	0.678	60%	0.603	S	S	*	*			trans	-124.6	142.2	158.6	60.8	0	0	0	0	108.5	I341	I341-S343 VanDerWaalsContact C-N 3.31Å; I341-S343 PolarHBondContact O-N 3.35Å
344	T	29	Very low	30.8	Very low	113 Å²	113	106.6 Å²	106.6	69%	0.693	59%	0.587	S	S	*	*			trans	-61.5	169.2	172.6	51.3	0	0	0	0	111.5
345	D	30.5	Very low	30.6	Very low	139 Å²	139	104.4 Å²	104.4	74%	0.743	58%	0.579	S	S	*	*			trans	79	97.7	159.9	-43.6	-48.1	0	0	0	117.3
346	E	29.3	Very low	30.6	Very low	187 Å²	187	107.6 Å²	107.6	87%	0.874	60%	0.599	S	S	*	*	S	Bend	trans	42.8	115	137	-54.3	-167.8	157.6	0	0	120.9
347	A	29.2	Very low	30.3	Very low	112 Å²	112	106.9 Å²	106.9	93%	0.926	60%	0.602	S	S	*	*			trans	62.6	67.8	145.8	0	0	0	0	0	119.1
348	G	31.5	Very low	30.3	Very low	60 Å²	60	115 Å²	115	62%	0.619	64%	0.636	S	S	*	*			trans	-142.4	118.9	163.7	0	0	0	0	0	114	N350	G348-N350 VanDerWaalsContact C-N 3.28Å; G348-N350 PolarHBondContact O-N 3.1Å
349	D	29.3	Very low	30.3	Very low	138 Å²	138	118.5 Å²	118.5	74%	0.738	66%	0.66	S	S	*	*			trans	-80.9	62.5	-176.6	-168.9	6.4	0	0	0	113.2	N351	D349-N351 VanDerWaalsContact C-N 3.26Å; D349-N351 PolarHBondContact O-N 2.88Å; D349-N351 VanDerWaalsContact O-N 3.1Å; D349-N351 PolarHBondContact OD1-ND2 2.82Å
350	N	28.9	Very low	30.4	Very low	145 Å²	145	125.8 Å²	125.8	78%	0.775	68%	0.682	S	S	*	*			trans	-86	52	-178.3	-76.4	-31.6	0	0	0	113.3	G348 I352	G348-N350 VanDerWaalsContact C-N 3.28Å; G348-N350 PolarHBondContact O-N 3.1Å; N350-I352 PolarHBondContact O-N 2.9Å
351	N	27.5	Very low	30.6	Very low	57 Å²	57	129.6 Å²	129.6	31%	0.305	70%	0.698	S	S	.	*			trans	-70.5	87.8	173.5	-91.5	-88.1	0	0	0	112	D349 T353	D349-N351 VanDerWaalsContact C-N 3.26Å; D349-N351 PolarHBondContact O-N 2.88Å; D349-N351 VanDerWaalsContact O-N 3.1Å; D349-N351 PolarHBondContact OD1-ND2 2.82Å; N351-T353 PolarHBondContact O-N 3.3Å
352	I	32	Very low	30.7	Very low	115 Å²	115	127.7 Å²	127.7	59%	0.59	70%	0.696	S	S	*	*			trans	-72.6	87.9	174	-54.6	179.9	0	0	0	110.6	N350 I354	N350-I352 PolarHBondContact O-N 2.9Å; I352-I354 PolarHBondContact O-N 2.94Å
353	T	27.8	Very low	30.8	Very low	66 Å²	66	127.1 Å²	127.1	41%	0.405	69%	0.692	S	S	.	*			trans	-73.9	107.9	170.9	49.5	0	0	0	0	111.1	K336 N351 E355	K336-T353 HydrophobicContact CG-CG2 4.4Å; N351-T353 PolarHBondContact O-N 3.3Å; T353-E355 PolarHBondContact O-N 2.88Å
354	I	31.6	Very low	31	Very low	76 Å²	76	129 Å²	129	39%	0.39	70%	0.699	S	S	.	*			trans	-71.6	92	167	-55.4	178.7	0	0	0	108.4	M337 I352 V356	M337-I354 HydrophobicContact CG-CD1 4.34Å; M337-I354 HydrophobicContact CG-CG1 4.46Å; I352-I354 PolarHBondContact O-N 2.94Å; I354-V356 PolarHBondContact O-N 3.48Å
355	E	29.5	Very low	31.2	Very low	117 Å²	117	127.9 Å²	127.9	55%	0.547	70%	0.701	S	S	.	*			trans	-71.8	107.5	168.2	-70.8	-153.4	134	0	0	110	T353 N357	T353-E355 PolarHBondContact O-N 2.88Å; E355-N357 PolarHBondContact O-N 3.5Å; E355-N357 PolarHBondContact O-ND2 3.39Å
356	V	36.5	Very low	31.5	Very low	108 Å²	108	130.1 Å²	130.1	66%	0.655	71%	0.707	S	S	*	*			trans	-65.6	90	166.5	-177	0	0	0	0	107.8	I354	I354-V356 PolarHBondContact O-N 3.48Å
357	N	29.9	Very low	32.7	Very low	127 Å²	127	126 Å²	126	68%	0.679	69%	0.688	S	S	*	*			trans	-64.2	142	-168.9	-100.6	-76.5	0	0	0	111.8	E355	E355-N357 PolarHBondContact O-N 3.5Å; E355-N357 PolarHBondContact O-ND2 3.39Å
358	K	32.2	Very low	34.1	Very low	182 Å²	182	124.5 Å²	124.5	79%	0.791	67%	0.667	S	S	*	*			trans	-59.1	137.3	173.7	-65.9	174	-176.6	168.1	0	109.2	R360	K358-R360 PolarHBondContact O-N 3.15Å
359	P	31.2	Very low	35.1	Very low	129 Å²	129	124.4 Å²	124.4	84%	0.838	66%	0.661	S	S	*	*			trans	-63.1	101.8	175.8	25.6	-33.7	0	0	0	110.3
360	R	32.3	Very low	36.4	Very low	234 Å²	234	123.4 Å²	123.4	88%	0.883	65%	0.654	S	S	*	*			trans	-86.1	132.7	167	-81.7	-179.5	163.8	165.4	-4.6	108.1	K358 S362	K358-R360 PolarHBondContact O-N 3.15Å; R360-S362 PolarHBondContact O-N 3.33Å
361	K	33	Very low	38	Very low	218 Å²	218	118.7 Å²	118.7	95%	0.948	63%	0.633	S	S	*	*	S	Bend	trans	-66.9	87.1	-179.4	-65.1	-179.8	176.3	-176.1	0	111.8
362	S	34.4	Very low	39.8	Very low	94 Å²	94	117.5 Å²	117.5	66%	0.657	63%	0.626	S	S	*	*	S	Bend	trans	-177.3	103.1	152.9	176.5	0	0	0	0	112.2	R360	R360-S362 PolarHBondContact O-N 3.33Å
363	I	31.3	Very low	41.3	Very low	156 Å²	156	113.3 Å²	113.3	80%	0.8	61%	0.609	S	S	*	*	S	Bend	trans	57.9	136.9	146.7	-44.6	176.4	0	0	0	118.1
364	V	34.2	Very low	43.3	Very low	135 Å²	135	115.9 Å²	115.9	82%	0.818	62%	0.616	S	S	*	*	S	Bend	trans	83.2	114.9	179.2	-165.8	0	0	0	0	115.7
365	A	33.3	Very low	45.3	Very low	90 Å²	90	116.8 Å²	116.8	74%	0.744	62%	0.615	S	S	*	*			trans	50.8	96.6	161.5	0	0	0	0	0	119.1	E367	A365-E367 PolarHBondContact O-N 2.76Å
366	E	37.6	Very low	47.2	Very low	186 Å²	186	111.8 Å²	111.8	87%	0.869	59%	0.592	S	S	*	*			trans	-74.6	105.9	154	-65.9	-171.2	139.1	0	0	109.7	T368	E366-T368 PolarHBondContact O-N 2.84Å; E366-T368 VanDerWaalsContact O-N 3.11Å
367	E	53.6	Low	49.1	Very low	100 Å²	100	108.1 Å²	108.1	47%	0.467	57%	0.568	S	S	.	*			trans	-60.6	114.4	162	-80.8	-167.4	160	0	0	108.6	A365 I372 R375	A365-E367 PolarHBondContact O-N 2.76Å; E367-I372 HydrophobicContact CB-CD1 4.38Å; E367-I372 HydrophobicContact CB-CG1 4.21Å; E367-R375 IonicContact OE1-CZ 2.66Å; E367-R375 IonicContact OE1-NH1 3.12Å; E367-R375 PolarHBondContact OE1-NH1 2.99Å; E367-R375 IonicContact OE1-NH2 2.65Å; E367-R375 PolarHBondContact OE1-NH2 3.44Å; E367-R375 IonicContact OE2-CZ 3.59Å; E367-R375 IonicContact OE2-NH1 2.64Å; E367-R375 IonicContact OE2-NH2 3.8Å; E367-R375 PolarHBondContact OE2-NH2 3Å
368	T	58.4	Low	51.3	Low	81 Å²	81	106.1 Å²	106.1	50%	0.497	56%	0.561	S	S	.	*			trans	-66.5	153.8	-177.8	72.4	0	0	0	0	110.9	E366 I370 S371 I372	E366-T368 PolarHBondContact O-N 2.84Å; E366-T368 VanDerWaalsContact O-N 3.11Å; T368-I370 PolarHBondContact O-N 2.93Å; T368-I370 PolarHBondContact OG1-N 3.49Å; T368-S371 PolarHBondContact O-N 2.93Å; T368-S371 PolarHBondContact OG1-N 2.83Å; T368-I372 PolarHBondContact O-N 2.61Å; T368-I372 VanDerWaalsContact O-N 3.09Å
369	A	52.4	Low	53.5	Low	59 Å²	59	98.4 Å²	98.4	49%	0.488	53%	0.528	S	S	.	.	H	α-helix	trans	-52.2	-25.2	170.7	0	0	0	0	0	113.4	I327 A373	I327-A369 HydrophobicContact CG2-CB 3.61Å; A369-A373 WeakPolarHBondContact O-CA 3.41Å; A369-A373 WeakPolarHBondContact O-CB 3.3Å; A369-A373 PolarHBondContact O-N 2.92Å
370	I	57.8	Low	55.5	Low	116 Å²	116	92.3 Å²	92.3	60%	0.595	49%	0.488	S	S	*	.	H	α-helix	trans	-83.1	-27.8	178	-57.8	173.9	0	0	0	111.8	T368 A373 E374	T368-I370 PolarHBondContact O-N 2.93Å; T368-I370 PolarHBondContact OG1-N 3.49Å; I370-A373 WeakPolarHBondContact O-CA 3.34Å; I370-E374 WeakPolarHBondContact O-CG 3.41Å; I370-E374 PolarHBondContact O-N 2.59Å
371	S	62.1	Low	57.7	Low	47 Å²	47	86 Å²	86	33%	0.329	47%	0.465	S	S	.	.	H	α-helix	trans	-74.8	-42.7	172.2	-175.2	0	0	0	0	111.6	T368 E374 R375	T368-S371 PolarHBondContact O-N 2.93Å; T368-S371 PolarHBondContact OG1-N 2.83Å; S371-E374 PolarHBondContact O-N 2.98Å; S371-R375 WeakPolarHBondContact O-CB 3.32Å; S371-R375 PolarHBondContact O-N 2.94Å
372	I	64.3	Low	59.7	Low	32 Å²	32	77 Å²	77	16%	0.164	43%	0.429	C	S	.	.	H	α-helix	trans	-64.3	-44.8	172.9	-55.3	175.1	0	0	0	109.6	I327 E367 T368 R375 L376	I327-I372 HydrophobicContact CD1-CB 4.15Å; I327-I372 HydrophobicContact CD1-CG2 4Å; I327-I372 HydrophobicContact CG1-CB 4.23Å; I327-I372 HydrophobicContact CG1-CG2 3.76Å; E367-I372 HydrophobicContact CB-CD1 4.38Å; E367-I372 HydrophobicContact CB-CG1 4.21Å; T368-I372 PolarHBondContact O-N 2.61Å; T368-I372 VanDerWaalsContact O-N 3.09Å; I372-R375 PolarHBondContact O-N 2.92Å; I372-L376 HydrophobicContact CG2-CD1 3.84Å; I372-L376 HydrophobicContact CG2-CG 4.35Å; I372-L376 WeakPolarHBondContact O-CB 3.46Å; I372-L376 WeakPolarHBondContact O-CG 3.24Å; I372-L376 PolarHBondContact O-N 2.91Å
373	A	64.5	Low	61.6	Low	27 Å²	27	74.1 Å²	74.1	22%	0.223	41%	0.414	C	S	.	.	H	α-helix	trans	-3.1	-96.1	140.5	0	0	0	0	0	117.4	I323 I327 A369 I370 R375 L376 D377	I323-A373 HydrophobicContact CG2-CB 3.3Å; I323-A373 WeakPolarHBondContact CG2-O 3.35Å; I327-A373 HydrophobicContact CD1-CB 3.43Å; I327-A373 VanDerWaalsContact CD1-CB 3.43Å; A369-A373 WeakPolarHBondContact O-CA 3.41Å; A369-A373 WeakPolarHBondContact O-CB 3.3Å; A369-A373 PolarHBondContact O-N 2.92Å; I370-A373 WeakPolarHBondContact O-CA 3.34Å; A373-R375 VanDerWaalsContact C-N 3.32Å; A373-R375 PolarHBondContact O-N 2.94Å; A373-L376 PolarHBondContact O-N 2.97Å; A373-D377 PolarHBondContact O-N 3.5Å; A373-D377 VanDerWaalsContact O-N 3.14Å
374	E	70.1	Confident	63.7	Low	119 Å²	119	71.9 Å²	71.9	56%	0.556	40%	0.4	S	S	*	.	H	α-helix	trans	-65.8	-32.6	-172.5	-67.3	156.2	168.6	0	0	111.9	I370 S371 D377 T378	I370-E374 WeakPolarHBondContact O-CG 3.41Å; I370-E374 PolarHBondContact O-N 2.59Å; S371-E374 PolarHBondContact O-N 2.98Å; E374-D377 PolarHBondContact O-N 3.28Å; E374-T378 VanDerWaalsContact O-CB 3.28Å; E374-T378 WeakPolarHBondContact O-CB 3.4Å; E374-T378 PolarHBondContact O-N 3.04Å; E374-T378 PolarHBondContact O-OG1 3.39Å
375	R	71.9	Confident	65.6	Low	95 Å²	95	66 Å²	66	36%	0.358	36%	0.364	S	S	.	.	H	α-helix	trans	-65.6	-44.1	174.7	-172	165.8	65	-147.4	-7.1	112	E367 S371 I372 A373 T378 L379	E367-R375 IonicContact OE1-CZ 2.66Å; E367-R375 IonicContact OE1-NH1 3.12Å; E367-R375 PolarHBondContact OE1-NH1 2.99Å; E367-R375 IonicContact OE1-NH2 2.65Å; E367-R375 PolarHBondContact OE1-NH2 3.44Å; E367-R375 IonicContact OE2-CZ 3.59Å; E367-R375 IonicContact OE2-NH1 2.64Å; E367-R375 IonicContact OE2-NH2 3.8Å; E367-R375 PolarHBondContact OE2-NH2 3Å; S371-R375 WeakPolarHBondContact O-CB 3.32Å; S371-R375 PolarHBondContact O-N 2.94Å; I372-R375 PolarHBondContact O-N 2.92Å; A373-R375 VanDerWaalsContact C-N 3.32Å; A373-R375 PolarHBondContact O-N 2.94Å; R375-T378 PolarHBondContact O-N 3.32Å; R375-L379 HydrophobicContact CG-CD1 4.1Å; R375-L379 HydrophobicContact CG-CG 4.44Å; R375-L379 WeakPolarHBondContact O-CB 3.15Å; R375-L379 VanDerWaalsContact O-CG 3.24Å; R375-L379 WeakPolarHBondContact O-CG 3.4Å; R375-L379 PolarHBondContact O-N 3.22Å
376	L	70.3	Confident	67.5	Low	13 Å²	13	65.2 Å²	65.2	7%	0.068	34%	0.344	C	S	.	.	H	α-helix	trans	-68.1	-36.4	176.5	-70.2	168.9	0	0	0	112.2	I323 L326 I327 M337 I372 A373 T378 L379 L380 M385	I323-L376 HydrophobicContact CG1-CB 4.11Å; I323-L376 HydrophobicContact CG2-CB 3.99Å; I323-L376 HydrophobicContact CG2-CD1 4.23Å; L326-L376 HydrophobicContact CB-CD1 3.96Å; L326-L376 HydrophobicContact CD1-CD1 3.69Å; L326-L376 HydrophobicContact CD1-CD2 3.89Å; L326-L376 HydrophobicContact CD1-CG 4.41Å; L326-L376 HydrophobicContact CG-CD1 4.49Å; I327-L376 HydrophobicContact CD1-CD1 4.13Å; I327-L376 HydrophobicContact CG1-CD1 4.19Å; M337-L376 HydrophobicContact CE-CD2 3.63Å; I372-L376 HydrophobicContact CG2-CD1 3.84Å; I372-L376 HydrophobicContact CG2-CG 4.35Å; I372-L376 WeakPolarHBondContact O-CB 3.46Å; I372-L376 WeakPolarHBondContact O-CG 3.24Å; I372-L376 PolarHBondContact O-N 2.91Å; A373-L376 PolarHBondContact O-N 2.97Å; L376-T378 VanDerWaalsContact C-N 3.33Å; L376-L379 PolarHBondContact O-N 3.04Å; L376-L380 WeakPolarHBondContact O-CG 3.33Å; L376-L380 PolarHBondContact O-N 2.83Å; L376-M385 HydrophobicContact CD2-CE 3.83Å; L376-M385 HydrophobicContact CD2-SD 4.33Å
377	D	75.3	Confident	69.2	Low	30 Å²	30	56.5 Å²	56.5	16%	0.16	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-43.3	172.6	-158.3	53.8	0	0	0	110.8	I323 A373 E374 L380 R381 Q409 Y432	I323-D377 VanDerWaalsContact CD1-CA 3.43Å; I323-D377 HydrophobicContact CD1-CB 3.5Å; I323-D377 VanDerWaalsContact CD1-CB 3.5Å; I323-D377 WeakPolarHBondContact CD1-OD1 3.46Å; A373-D377 PolarHBondContact O-N 3.5Å; A373-D377 VanDerWaalsContact O-N 3.14Å; E374-D377 PolarHBondContact O-N 3.28Å; D377-L380 PolarHBondContact O-N 3.26Å; D377-R381 WeakPolarHBondContact O-CB 3.48Å; D377-R381 VanDerWaalsContact O-CG 3.23Å; D377-R381 WeakPolarHBondContact O-CG 3.37Å; D377-R381 PolarHBondContact O-N 3.2Å; D377-R381 IonicContact OD1-CZ 2.67Å; D377-R381 IonicContact OD1-NE 3.68Å; D377-R381 IonicContact OD1-NH2 3.98Å; D377-R381 PolarHBondContact OD1-NH2 3.08Å; D377-R381 IonicContact OD2-CZ 2.71Å; D377-R381 IonicContact OD2-NE 3.71Å; D377-R381 PolarHBondContact OD2-NE 2.98Å; D377-R381 IonicContact OD2-NH2 3.8Å; D377-R381 PolarHBondContact OD2-NH2 2.88Å; D377-Q409 PolarHBondContact OD1-NE2 3.34Å; D377-Q409 VanDerWaalsContact OD1-NE2 3.13Å; D377-Y432 PolarHBondContact OD1-OH 2.66Å
378	T	77.5	Confident	69.9	Low	85 Å²	85	58.2 Å²	58.2	52%	0.521	31%	0.307	S	S	.	.	H	α-helix	trans	-66.4	-41.1	177.3	-56.3	0	0	0	0	111.9	E374 R375 L376 L380 R381 S382	E374-T378 VanDerWaalsContact O-CB 3.28Å; E374-T378 WeakPolarHBondContact O-CB 3.4Å; E374-T378 PolarHBondContact O-N 3.04Å; E374-T378 PolarHBondContact O-OG1 3.39Å; R375-T378 PolarHBondContact O-N 3.32Å; L376-T378 VanDerWaalsContact C-N 3.33Å; T378-L380 PolarHBondContact O-N 3.31Å; T378-R381 PolarHBondContact O-N 3.1Å; T378-S382 VanDerWaalsContact O-CB 3.26Å; T378-S382 WeakPolarHBondContact O-CB 3.41Å; T378-S382 PolarHBondContact O-N 3Å; T378-S382 PolarHBondContact O-OG 2.94Å
379	L	77.4	Confident	70.3	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-33.7	177.4	-73.2	170.6	0	0	0	112.8	M337 R375 L376 S382 G383 Q384 M385	M337-L379 HydrophobicContact CE-CD1 3.67Å; R375-L379 HydrophobicContact CG-CD1 4.1Å; R375-L379 HydrophobicContact CG-CG 4.44Å; R375-L379 WeakPolarHBondContact O-CB 3.15Å; R375-L379 VanDerWaalsContact O-CG 3.24Å; R375-L379 WeakPolarHBondContact O-CG 3.4Å; R375-L379 PolarHBondContact O-N 3.22Å; L376-L379 PolarHBondContact O-N 3.04Å; L379-S382 WeakPolarHBondContact CA-OG 3.45Å; L379-S382 PolarHBondContact O-OG 3.08Å; L379-G383 PolarHBondContact O-N 3.33Å; L379-Q384 HydrophobicContact CD2-CB 3.78Å; L379-Q384 PolarHBondContact O-N 3.05Å; L379-M385 HydrophobicContact CB-CB 4.06Å; L379-M385 PolarHBondContact O-N 3.18Å
380	L	74.8	Confident	71.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.7	-49.5	171.5	-69.8	161.8	0	0	0	111.4	F322 I323 L376 D377 T378 S382 G383 M385 Q409 N411 Y432	F322-L380 HydrophobicContact CD1-CD1 3.8Å; F322-L380 HydrophobicContact CE1-CD1 3.94Å; F322-L380 HydrophobicContact CE1-CD2 4.39Å; I323-L380 HydrophobicContact CD1-CD1 4.23Å; I323-L380 HydrophobicContact CG1-CD1 4.06Å; L376-L380 WeakPolarHBondContact O-CG 3.33Å; L376-L380 PolarHBondContact O-N 2.83Å; D377-L380 PolarHBondContact O-N 3.26Å; T378-L380 PolarHBondContact O-N 3.31Å; L380-S382 VanDerWaalsContact C-N 3.29Å; L380-S382 PolarHBondContact O-N 3.34Å; L380-G383 PolarHBondContact O-N 2.98Å; L380-M385 HydrophobicContact CD1-CE 4.16Å; L380-M385 HydrophobicContact CD2-CE 3.73Å; L380-M385 HydrophobicContact CG-CE 3.59Å; L380-Q409 HydrophobicContact CD1-CB 4.29Å; L380-N411 PolarHBondContact O-ND2 3.14Å; L380-Y432 HydrophobicContact CB-CD2 3.84Å; L380-Y432 HydrophobicContact CB-CE2 4.26Å
381	R	77.4	Confident	72.3	Confident	103 Å²	103	50.8 Å²	50.8	39%	0.389	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-35.9	179.8	-73.1	177.3	-163.9	-62.8	-15.7	113.3	D377 T378 G383 Y432 R434	D377-R381 WeakPolarHBondContact O-CB 3.48Å; D377-R381 VanDerWaalsContact O-CG 3.23Å; D377-R381 WeakPolarHBondContact O-CG 3.37Å; D377-R381 PolarHBondContact O-N 3.2Å; D377-R381 IonicContact OD1-CZ 2.67Å; D377-R381 IonicContact OD1-NE 3.68Å; D377-R381 IonicContact OD1-NH2 3.98Å; D377-R381 PolarHBondContact OD1-NH2 3.08Å; D377-R381 IonicContact OD2-CZ 2.71Å; D377-R381 IonicContact OD2-NE 3.71Å; D377-R381 PolarHBondContact OD2-NE 2.98Å; D377-R381 IonicContact OD2-NH2 3.8Å; D377-R381 PolarHBondContact OD2-NH2 2.88Å; T378-R381 PolarHBondContact O-N 3.1Å; R381-G383 VanDerWaalsContact C-N 3.28Å; R381-Y432 HydrophobicContact CG-CD1 4.34Å; R381-Y432 HydrophobicContact CG-CD2 3.96Å; R381-Y432 HydrophobicContact CG-CE2 4.09Å; R381-Y432 HydrophobicContact CG-CG 4.12Å; R381-Y432 PolarHBondContact NH2-OH 3.3Å; R381-R434 PolarHBondContact O-NE 3.48Å
382	S	75.3	Confident	73	Confident	28 Å²	28	51.8 Å²	51.8	20%	0.196	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.7	176.8	58.1	0	0	0	0	113.7	T378 L379 L380 Q384 R434	T378-S382 VanDerWaalsContact O-CB 3.26Å; T378-S382 WeakPolarHBondContact O-CB 3.41Å; T378-S382 PolarHBondContact O-N 3Å; T378-S382 PolarHBondContact O-OG 2.94Å; L379-S382 WeakPolarHBondContact CA-OG 3.45Å; L379-S382 PolarHBondContact O-OG 3.08Å; L380-S382 VanDerWaalsContact C-N 3.29Å; L380-S382 PolarHBondContact O-N 3.34Å; S382-Q384 PolarHBondContact O-N 3.2Å; S382-Q384 WeakPolarHBondContact OG-CG 3.43Å; S382-R434 PolarHBondContact O-NH1 3.36Å
383	G	73.3	Confident	73.7	Confident	33 Å²	33	50.5 Å²	50.5	34%	0.34	26%	0.26	S	S	.	.	S	Bend	trans	74.6	-3.3	-174.1	0	0	0	0	0	114.9	L379 L380 R381 M385	L379-G383 PolarHBondContact O-N 3.33Å; L380-G383 PolarHBondContact O-N 2.98Å; R381-G383 VanDerWaalsContact C-N 3.28Å; G383-M385 VanDerWaalsContact C-N 3.25Å; G383-M385 PolarHBondContact O-N 2.78Å
384	Q	75.8	Confident	74.7	Confident	109 Å²	109	49.2 Å²	49.2	51%	0.509	25%	0.25	S	C	.	.	S	Bend	trans	-64.4	-27.4	-177.4	-69	-180	-13.4	0	0	113	L379 S382	L379-Q384 HydrophobicContact CD2-CB 3.78Å; L379-Q384 PolarHBondContact O-N 3.05Å; S382-Q384 PolarHBondContact O-N 3.2Å; S382-Q384 WeakPolarHBondContact OG-CG 3.43Å
385	M	74	Confident	75.4	Confident	13 Å²	13	44.1 Å²	44.1	6%	0.064	23%	0.226	C	C	.	.	S	Bend	trans	-115.4	122.4	165.9	176.3	175.2	61.6	0	0	110	F322 M337 L376 L379 L380 G383 N411	F322-M385 HydrophobicContact CE1-CE 4.03Å; M337-M385 HydrophobicContact CE-CE 4.41Å; M337-M385 HydrophobicContact CE-SD 3.54Å; M337-M385 VanDerWaalsContact CE-SD 3.54Å; M337-M385 HydrophobicContact SD-CB 4.05Å; M337-M385 HydrophobicContact SD-CG 3.82Å; M337-M385 HydrophobicContact SD-SD 3.43Å; L376-M385 HydrophobicContact CD2-CE 3.83Å; L376-M385 HydrophobicContact CD2-SD 4.33Å; L379-M385 HydrophobicContact CB-CB 4.06Å; L379-M385 PolarHBondContact O-N 3.18Å; L380-M385 HydrophobicContact CD1-CE 4.16Å; L380-M385 HydrophobicContact CD2-CE 3.73Å; L380-M385 HydrophobicContact CG-CE 3.59Å; G383-M385 VanDerWaalsContact C-N 3.25Å; G383-M385 PolarHBondContact O-N 2.78Å; M385-N411 PolarHBondContact O-ND2 3.39Å
386	K	73.4	Confident	75.9	Confident	72 Å²	72	43.7 Å²	43.7	31%	0.313	23%	0.227	S	C	.	.			trans	-72.1	138.9	170.8	-73.3	176.1	-179.9	172	0	111.5	Y388 N411 F412	K386-Y388 HydrophobicContact CB-CD2 4.11Å; K386-Y388 HydrophobicContact CB-CE2 3.54Å; K386-Y388 VanDerWaalsContact O-CD2 3.27Å; K386-Y388 WeakPolarHBondContact O-CD2 3.17Å; K386-Y388 PolarHBondContact O-N 3.12Å; K386-N411 WeakPolarHBondContact CA-OD1 3.37Å; K386-F412 HydrophobicContact CB-CB 4.07Å; K386-F412 HydrophobicContact CB-CG 4.28Å; K386-F412 HydrophobicContact CD-CD1 4.47Å; K386-F412 HydrophobicContact CD-CD2 4.02Å; K386-F412 HydrophobicContact CD-CE2 4.33Å; K386-F412 HydrophobicContact CD-CG 4.1Å; K386-F412 HydrophobicContact CG-CB 4.15Å; K386-F412 HydrophobicContact CG-CD2 4.41Å; K386-F412 HydrophobicContact CG-CG 4.2Å
387	S	73.5	Confident	76.5	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.021	23%	0.225	C	C	.	.			trans	-76.1	104.9	177.3	58.6	0	0	0	0	112.4	L410 N411 F412	S387-L410 WeakPolarHBondContact OG-CA 3.4Å; S387-N411 PolarHBondContact N-OD1 3.26Å; S387-N411 PolarHBondContact OG-N 2.98Å; S387-N411 PolarHBondContact OG-OD1 2.91Å; S387-F412 PolarHBondContact OG-N 3.01Å; S387-F412 VanDerWaalsContact OG-N 3.14Å; S387-F412 PolarHBondContact OG-O 2.94Å
388	Y	68.5	Low	76.9	Confident	137 Å²	137	51.1 Å²	51.1	54%	0.537	25%	0.252	S	S	.	.			trans	-106.4	34.5	-179	-71.7	-71.6	0	0	0	113.4	K386 F412	K386-Y388 HydrophobicContact CB-CD2 4.11Å; K386-Y388 HydrophobicContact CB-CE2 3.54Å; K386-Y388 VanDerWaalsContact O-CD2 3.27Å; K386-Y388 WeakPolarHBondContact O-CD2 3.17Å; K386-Y388 PolarHBondContact O-N 3.12Å; Y388-F412 HydrophobicContact CE1-CD1 4.24Å; Y388-F412 HydrophobicContact CE1-CE1 4.06Å
389	H	67.4	Low	77.3	Confident	64 Å²	64	52 Å²	52	30%	0.296	25%	0.246	S	C	.	.			trans	-116.6	6.9	-160.3	-48	-53.1	0	0	0	114.8	F322 P391	F322-H389 AromaticContact CD1-CD2 3.78Å; F322-H389 HydrophobicContact CD2-CB 3.85Å; F322-H389 AromaticContact CD2-CD2 3.68Å; F322-H389 AromaticContact CD2-CG 3.43Å; F322-H389 VanDerWaalsContact CD2-CG 3.43Å; F322-H389 AromaticContact CD2-ND1 3.96Å; F322-H389 AromaticContact CE1-CD2 3.4Å; F322-H389 WeakPolarHBondContact CE1-CD2 3.39Å; F322-H389 AromaticContact CE1-NE2 3.55Å; F322-H389 HydrophobicContact CE2-CB 4.1Å; F322-H389 AromaticContact CE2-CD2 3.32Å; F322-H389 WeakPolarHBondContact CE2-CD2 3.24Å; F322-H389 AromaticContact CE2-CE1 3.49Å; F322-H389 VanDerWaalsContact CE2-CE1 3.49Å; F322-H389 WeakPolarHBondContact CE2-CE1 3.5Å; F322-H389 AromaticContact CE2-CG 3.19Å; F322-H389 AromaticContact CE2-ND1 3.29Å; F322-H389 VanDerWaalsContact CE2-ND1 3.29Å; F322-H389 WeakPolarHBondContact CE2-ND1 3.27Å; F322-H389 AromaticContact CE2-NE2 3.54Å; F322-H389 HydrophobicContact CG-CB 4.37Å; F322-H389 AromaticContact CG-CD2 3.91Å; F322-H389 AromaticContact CZ-CD2 3.16Å; F322-H389 WeakPolarHBondContact CZ-CD2 3.28Å; F322-H389 AromaticContact CZ-CE1 3.37Å; F322-H389 WeakPolarHBondContact CZ-CE1 3.42Å; F322-H389 AromaticContact CZ-CG 3.58Å; F322-H389 AromaticContact CZ-ND1 3.69Å; F322-H389 AromaticContact CZ-NE2 3.06Å; F322-H389 WeakPolarHBondContact CZ-NE2 3.34Å; H389-P391 VanDerWaalsContact O-CD 3.32Å; H389-P391 WeakPolarHBondContact O-CD 3.47Å
390	I	75.9	Confident	77.9	Confident	18 Å²	18	51 Å²	51	9%	0.092	24%	0.24	C	C	.	.	S	Bend	trans	-72.9	117.3	165.8	-56.3	172.3	0	0	0	107.4	A392 I394 F395 L405 L410	I390-A392 PolarHBondContact O-N 2.99Å; I390-I394 HydrophobicContact CG2-CD1 3.9Å; I390-F395 HydrophobicContact CB-CZ 3.97Å; I390-F395 HydrophobicContact CG2-CE1 4.12Å; I390-F395 HydrophobicContact CG2-CE2 4.22Å; I390-F395 HydrophobicContact CG2-CZ 3.55Å; I390-L405 HydrophobicContact CD1-CD1 3.95Å; I390-L410 HydrophobicContact CD1-CD1 4.05Å; I390-L410 HydrophobicContact CD1-CD2 4.18Å; I390-L410 HydrophobicContact CG1-CD1 4.39Å; I390-L410 HydrophobicContact CG1-CD2 3.93Å
391	P	75	Confident	78.7	Confident	18 Å²	18	52.7 Å²	52.7	12%	0.117	25%	0.251	C	S	.	.			trans	-58.4	127.2	-176.8	-27.8	35.8	0	0	0	112.8	L302 H389 A393 I394	L302-P391 HydrophobicContact CB-CB 4.41Å; L302-P391 HydrophobicContact CD1-CB 4.5Å; L302-P391 HydrophobicContact CG-CB 4.34Å; L302-P391 HydrophobicContact CG-CG 4.49Å; H389-P391 VanDerWaalsContact O-CD 3.32Å; H389-P391 WeakPolarHBondContact O-CD 3.47Å; P391-A393 PolarHBondContact O-N 2.83Å; P391-I394 HydrophobicContact CB-CD1 4.41Å; P391-I394 HydrophobicContact CB-CG1 4.49Å; P391-I394 HydrophobicContact CG-CD1 4.4Å; P391-I394 WeakPolarHBondContact O-CB 3.48Å; P391-I394 WeakPolarHBondContact O-CG1 3.38Å; P391-I394 PolarHBondContact O-N 3.07Å
392	A	77.9	Confident	79.5	Confident	68 Å²	68	48.1 Å²	48.1	56%	0.562	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.9	-172.7	0	0	0	0	0	114.6	I390 I394 F395	I390-A392 PolarHBondContact O-N 2.99Å; A392-I394 PolarHBondContact O-N 3.42Å; A392-F395 PolarHBondContact O-N 3.33Å
393	A	79.4	Confident	80.3	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.033	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.2	172.9	0	0	0	0	0	113.5	L302 P303 F306 P391 K396	L302-A393 HydrophobicContact CB-CB 4.23Å; P303-A393 WeakPolarHBondContact O-CB 3.17Å; F306-A393 HydrophobicContact CB-CB 4.48Å; P391-A393 PolarHBondContact O-N 2.83Å; A393-K396 WeakPolarHBondContact O-CB 3.37Å; A393-K396 PolarHBondContact O-N 3.29Å
394	I	85	Confident	81.1	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-63.4	-43.8	178.4	-62.6	174.7	0	0	0	110.6	L302 L315 L317 I390 P391 A392 K396 L397 L403	L302-I394 HydrophobicContact CD1-CD1 4.27Å; L302-I394 HydrophobicContact CD1-CG1 3.85Å; L315-I394 HydrophobicContact CD2-CD1 4.07Å; L315-I394 HydrophobicContact CD2-CG1 3.95Å; L315-I394 HydrophobicContact CD2-CG2 4.29Å; L317-I394 HydrophobicContact CD1-CD1 3.5Å; L317-I394 VanDerWaalsContact CD1-CD1 3.5Å; I390-I394 HydrophobicContact CG2-CD1 3.9Å; P391-I394 HydrophobicContact CB-CD1 4.41Å; P391-I394 HydrophobicContact CB-CG1 4.49Å; P391-I394 HydrophobicContact CG-CD1 4.4Å; P391-I394 WeakPolarHBondContact O-CB 3.48Å; P391-I394 WeakPolarHBondContact O-CG1 3.38Å; P391-I394 PolarHBondContact O-N 3.07Å; A392-I394 PolarHBondContact O-N 3.42Å; I394-K396 PolarHBondContact O-N 3.29Å; I394-L397 HydrophobicContact CG2-CD1 4.46Å; I394-L397 VanDerWaalsContact O-CB 3.29Å; I394-L397 WeakPolarHBondContact O-CB 3.48Å; I394-L397 WeakPolarHBondContact O-CG 3.17Å; I394-L397 PolarHBondContact O-N 2.63Å; I394-L403 HydrophobicContact CG2-CD1 4.31Å; I394-L403 HydrophobicContact CG2-CD2 4.36Å
395	F	83.4	Confident	81.8	Confident	13 Å²	13	41 Å²	41	6%	0.057	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.3	-8.2	179.9	-48.1	-61.4	0	0	0	113.8	I390 A392 P414 N416 L417 L419	I390-F395 HydrophobicContact CB-CZ 3.97Å; I390-F395 HydrophobicContact CG2-CE1 4.12Å; I390-F395 HydrophobicContact CG2-CE2 4.22Å; I390-F395 HydrophobicContact CG2-CZ 3.55Å; A392-F395 PolarHBondContact O-N 3.33Å; F395-P414 HydrophobicContact CE1-CG 4.09Å; F395-P414 HydrophobicContact CE2-CG 4.16Å; F395-P414 HydrophobicContact CZ-CG 3.5Å; F395-P414 VanDerWaalsContact CZ-CG 3.5Å; F395-N416 HydrophobicContact CB-CB 4.03Å; F395-N416 HydrophobicContact CD1-CB 4.02Å; F395-N416 HydrophobicContact CD2-CB 3.69Å; F395-N416 HydrophobicContact CE1-CB 4.44Å; F395-N416 HydrophobicContact CE2-CB 4.16Å; F395-N416 HydrophobicContact CG-CB 3.63Å; F395-L417 HydrophobicContact CD1-CD1 4.27Å; F395-L417 HydrophobicContact CE1-CD1 3.92Å; F395-L419 HydrophobicContact CB-CD1 4.16Å; F395-L419 VanDerWaalsContact O-CB 3.29Å; F395-L419 WeakPolarHBondContact O-CB 3.15Å
396	K	82.8	Confident	82.4	Confident	86 Å²	86	41.4 Å²	41.4	37%	0.374	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-86.2	-12.4	172.5	-53.7	-178.9	-172	176.2	0	113.1	D304 S307 A393 I394 R398	D304-K396 PolarHBondContact O-NZ 3.14Å; D304-K396 VanDerWaalsContact O-NZ 3.1Å; D304-K396 IonicContact OD1-NZ 2.62Å; D304-K396 PolarHBondContact OD1-NZ 2.98Å; S307-K396 VanDerWaalsContact CB-CB 3.4Å; A393-K396 WeakPolarHBondContact O-CB 3.37Å; A393-K396 PolarHBondContact O-N 3.29Å; I394-K396 PolarHBondContact O-N 3.29Å; K396-R398 VanDerWaalsContact C-N 3.28Å; K396-R398 PolarHBondContact O-N 3.32Å
397	L	84.1	Confident	82.8	Confident	6 Å²	6	40 Å²	40	3%	0.031	19%	0.185	C	C	.	.			trans	-79.3	66.8	-176.5	-62.9	166.5	0	0	0	111.8	F306 L312 L315 I394 R399 L400 L420	F306-L397 HydrophobicContact CD1-CD1 4.29Å; F306-L397 HydrophobicContact CD1-CD2 4.29Å; F306-L397 HydrophobicContact CE1-CD1 4.25Å; L312-L397 HydrophobicContact CD2-CD1 4.01Å; L312-L397 HydrophobicContact CD2-CD2 4.21Å; L315-L397 HydrophobicContact CD2-CD1 4.17Å; I394-L397 HydrophobicContact CG2-CD1 4.46Å; I394-L397 VanDerWaalsContact O-CB 3.29Å; I394-L397 WeakPolarHBondContact O-CB 3.48Å; I394-L397 WeakPolarHBondContact O-CG 3.17Å; I394-L397 PolarHBondContact O-N 2.63Å; L397-R399 PolarHBondContact O-N 3.05Å; L397-L400 HydrophobicContact CB-CB 4.14Å; L397-L400 VanDerWaalsContact O-CB 3.3Å; L397-L400 WeakPolarHBondContact O-CB 3.31Å; L397-L400 PolarHBondContact O-N 2.77Å; L397-L420 WeakPolarHBondContact O-CD2 3.28Å
398	R	83.3	Confident	83.2	Confident	192 Å²	192	40.6 Å²	40.6	73%	0.725	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-10	-173.4	-64.8	-177.5	179.5	-178.3	-0.6	116.6	K396	K396-R398 VanDerWaalsContact C-N 3.28Å; K396-R398 PolarHBondContact O-N 3.32Å
399	R	85.1	Confident	83.7	Confident	104 Å²	104	34.5 Å²	34.5	39%	0.392	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	2.8	176.6	-89.9	178.4	166.8	-155.5	0.4	114.4	Y310 L312 L397 T401	Y310-R399 WeakPolarHBondContact O-CD 3.26Å; L312-R399 CarbonylContact O-C 3.42Å; L397-R399 PolarHBondContact O-N 3.05Å; R399-T401 PolarHBondContact O-N 3.2Å
400	L	89.8	Confident	84.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.			trans	-64	127.6	175.4	-161.5	76.2	0	0	0	110.5	L312 K313 L315 L397 L403 L420 R422 L423	L312-L400 HydrophobicContact CD2-CD1 4.37Å; L312-L400 HydrophobicContact CG-CD1 4.28Å; L312-L400 PolarHBondContact O-N 2.89Å; K313-L400 WeakPolarHBondContact O-CD1 3.38Å; L315-L400 HydrophobicContact CB-CD1 3.84Å; L315-L400 HydrophobicContact CB-CD2 4.46Å; L397-L400 HydrophobicContact CB-CB 4.14Å; L397-L400 VanDerWaalsContact O-CB 3.3Å; L397-L400 WeakPolarHBondContact O-CB 3.31Å; L397-L400 PolarHBondContact O-N 2.77Å; L400-L403 HydrophobicContact CD2-CB 3.93Å; L400-L403 HydrophobicContact CD2-CD1 4.15Å; L400-L403 HydrophobicContact CD2-CD2 4.39Å; L400-L403 HydrophobicContact CD2-CG 4.38Å; L400-L420 HydrophobicContact CD2-CD1 4.25Å; L400-R422 CarbonylContact O-C 3.3Å; L400-R422 VanDerWaalsContact O-C 3.3Å; L400-L423 HydrophobicContact CD2-CD1 4.28Å; L400-L423 HydrophobicContact CG-CD1 4.37Å; L400-L423 PolarHBondContact O-N 3.13Å
401	T	92.4	Very high	84.8	Confident	36 Å²	36	32 Å²	32	22%	0.221	15%	0.154	C	C	.	.			trans	-108.6	-28	178.3	60.8	0	0	0	0	112.8	K313 R399 R422 R424 E425	K313-T401 PolarHBondContact O-N 3.25Å; K313-T401 PolarHBondContact O-OG1 2.88Å; R399-T401 PolarHBondContact O-N 3.2Å; T401-R422 WeakPolarHBondContact CA-O 3.33Å; T401-R424 PolarHBondContact O-N 2.83Å; T401-E425 PolarHBondContact O-N 2.81Å
402	A	93.7	Very high	85.2	Confident	6 Å²	6	33.7 Å²	33.7	5%	0.05	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131	177.6	0	0	0	0	0	111.8	K313 A314 L315 E425	K313-A402 PolarHBondContact O-N 3.25Å; A314-A402 WeakPolarHBondContact CA-O 3.42Å; A314-A402 HydrophobicContact CB-CB 4.16Å; L315-A402 PolarHBondContact N-O 2.81Å; L315-A402 VanDerWaalsContact N-O 3.12Å; A402-E425 WeakPolarHBondContact CA-O 3.28Å; A402-E425 HydrophobicContact CB-CB 3.94Å; A402-E425 HydrophobicContact CB-CG 4.4Å
403	L	92.8	Very high	85.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	117.2	179.8	178.1	56.7	0	0	0	110.3	I394 L400 L405 L417 L420 L423 E425 L426 Y427	I394-L403 HydrophobicContact CG2-CD1 4.31Å; I394-L403 HydrophobicContact CG2-CD2 4.36Å; L400-L403 HydrophobicContact CD2-CB 3.93Å; L400-L403 HydrophobicContact CD2-CD1 4.15Å; L400-L403 HydrophobicContact CD2-CD2 4.39Å; L400-L403 HydrophobicContact CD2-CG 4.38Å; L403-L405 HydrophobicContact CD1-CD1 4.47Å; L403-L405 HydrophobicContact CD1-CD2 4.38Å; L403-L405 HydrophobicContact CD1-CG 4.13Å; L403-L405 HydrophobicContact CD2-CD1 3.95Å; L403-L405 HydrophobicContact CD2-CG 4.47Å; L403-L405 HydrophobicContact CG-CD1 4.04Å; L403-L405 HydrophobicContact CG-CG 4.03Å; L403-L417 HydrophobicContact CD2-CD1 4.09Å; L403-L420 HydrophobicContact CD2-CD1 4.05Å; L403-L423 HydrophobicContact CB-CD1 3.66Å; L403-L423 HydrophobicContact CB-CD2 4.35Å; L403-E425 PolarHBondContact N-O 2.79Å; L403-L426 HydrophobicContact CB-CD1 4.38Å; L403-L426 HydrophobicContact CD2-CD1 4.43Å; L403-L426 HydrophobicContact CG-CD1 4.38Å; L403-Y427 PolarHBondContact O-N 3.17Å
404	H	90.8	Very high	85.6	Confident	17 Å²	17	31.2 Å²	31.2	8%	0.079	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.6	173.6	-52.1	-117.3	0	0	0	110.2	L315 H316 L317 D406 Y427	L315-H404 PolarHBondContact O-N 3.05Å; H316-H404 HydrophobicContact CB-CB 4.19Å; H316-H404 AromaticContact CE1-CD2 3.53Å; H316-H404 AromaticContact CE1-CE1 3.92Å; H316-H404 AromaticContact CE1-NE2 3.2Å; H316-H404 PolarHBondContact CE1-NE2 3.2Å; H316-H404 AromaticContact CG-CD2 3.71Å; H316-H404 AromaticContact ND1-CD2 2.98Å; H316-H404 PolarHBondContact ND1-CD2 3.17Å; H316-H404 AromaticContact ND1-CE1 3.62Å; H316-H404 AromaticContact ND1-CG 3.44Å; H316-H404 AromaticContact ND1-ND1 3.8Å; H316-H404 AromaticContact ND1-NE2 3.08Å; H316-H404 PolarHBondContact ND1-NE2 3.11Å; L317-H404 PolarHBondContact N-O 3.07Å; L317-H404 CarbonylContact O-C 3.28Å; L317-H404 VanDerWaalsContact O-O 3.1Å; H404-D406 IonicContact ND1-OD2 3.06Å; H404-Y427 AromaticContact CE1-CD1 3.98Å; H404-Y427 AromaticContact CE1-CD2 3.31Å; H404-Y427 WeakPolarHBondContact CE1-CD2 3.33Å; H404-Y427 AromaticContact CE1-CE1 3.85Å; H404-Y427 AromaticContact CE1-CE2 3.17Å; H404-Y427 WeakPolarHBondContact CE1-CE2 3.01Å; H404-Y427 AromaticContact CE1-CG 3.74Å; H404-Y427 AromaticContact CE1-CZ 3.47Å; H404-Y427 VanDerWaalsContact CE1-CZ 3.47Å; H404-Y427 AromaticContact CG-CD2 3.72Å; H404-Y427 AromaticContact CG-CG 4Å; H404-Y427 AromaticContact ND1-CD1 3.73Å; H404-Y427 AromaticContact ND1-CD2 3.26Å; H404-Y427 VanDerWaalsContact ND1-CD2 3.26Å; H404-Y427 WeakPolarHBondContact ND1-CD2 3.06Å; H404-Y427 AromaticContact ND1-CE2 3.66Å; H404-Y427 AromaticContact ND1-CG 3.32Å; H404-Y427 VanDerWaalsContact ND1-CG 3.32Å; H404-Y427 AromaticContact NE2-CD2 3.81Å; H404-Y427 AromaticContact NE2-CE2 3.63Å
405	L	89.2	Confident	85.3	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.021	17%	0.171	C	C	.	.			trans	-135.4	28.8	-179.5	-69.8	171.2	0	0	0	110.6	L317 I390 L403 C408 L410 Y427 L428 N431	L317-L405 HydrophobicContact CB-CD2 4.27Å; L317-L405 HydrophobicContact CD1-CD2 4.08Å; L317-L405 WeakPolarHBondContact O-CA 3.48Å; I390-L405 HydrophobicContact CD1-CD1 3.95Å; L403-L405 HydrophobicContact CD1-CD1 4.47Å; L403-L405 HydrophobicContact CD1-CD2 4.38Å; L403-L405 HydrophobicContact CD1-CG 4.13Å; L403-L405 HydrophobicContact CD2-CD1 3.95Å; L403-L405 HydrophobicContact CD2-CG 4.47Å; L403-L405 HydrophobicContact CG-CD1 4.04Å; L403-L405 HydrophobicContact CG-CG 4.03Å; L405-C408 VanDerWaalsContact O-CB 3.31Å; L405-C408 WeakPolarHBondContact O-CB 3.46Å; L405-C408 PolarHBondContact O-SG 2.72Å; L405-L410 HydrophobicContact CB-CD1 3.98Å; L405-L410 HydrophobicContact CD1-CD1 4.22Å; L405-Y427 PolarHBondContact N-O 2.85Å; L405-L428 HydrophobicContact CB-CD2 3.9Å; L405-L428 HydrophobicContact CD1-CD2 4.16Å; L405-N431 PolarHBondContact O-ND2 2.91Å
406	D	86.3	Confident	85.2	Confident	22 Å²	22	41.9 Å²	41.9	12%	0.118	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	145.2	-179.6	-56.7	-76.3	0	0	0	112.1	D318 H404 C408 Y427 S429	D318-D406 WeakPolarHBondContact CA-O 3.48Å; H404-D406 IonicContact ND1-OD2 3.06Å; D406-C408 PolarHBondContact O-N 3.18Å; D406-C408 PolarHBondContact O-SG 2.74Å; D406-Y427 VanDerWaalsContact OD2-CB 3.24Å; D406-Y427 WeakPolarHBondContact OD2-CB 3.4Å; D406-S429 WeakPolarHBondContact CA-O 3.4Å; D406-S429 VanDerWaalsContact OD1-CB 3.28Å; D406-S429 WeakPolarHBondContact OD1-CB 3.31Å; D406-S429 PolarHBondContact OD1-N 3.34Å; D406-S429 PolarHBondContact OD1-OG 2.76Å
407	R	82.9	Confident	85.3	Confident	42 Å²	42	37.8 Å²	37.8	16%	0.158	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	14.5	-179.3	-34.2	-170.5	-160.6	-148.6	5.7	115.7	Y295 D318 R320 Q409 S429 K430 E1375 D1377	Y295-R407 PolarHBondContact OH-NH2 3.49Å; D318-R407 WeakPolarHBondContact OD2-CB 3.22Å; D318-R407 WeakPolarHBondContact OD2-CD 3.46Å; D318-R407 WeakPolarHBondContact OD2-CG 3.43Å; D318-R407 IonicContact OD2-NE 3.35Å; R320-R407 HydrophobicContact CG-CB 4.45Å; R407-Q409 PolarHBondContact O-N 2.74Å; R407-Q409 VanDerWaalsContact O-N 3.08Å; R407-S429 PolarHBondContact N-O 2.95Å; R407-K430 HydrophobicContact CG-CB 3.93Å; R407-K430 HydrophobicContact CG-CD 4.28Å; R407-E1375 IonicContact CZ-OE2 2.7Å; R407-E1375 IonicContact NH2-OE1 2.68Å; R407-E1375 IonicContact NH2-OE2 2.95Å; R407-E1375 PolarHBondContact NH2-OE2 3.24Å; R407-D1377 IonicContact NH1-OD2 2.72Å
408	C	80.7	Confident	85.1	Confident	15 Å²	15	40.3 Å²	40.3	10%	0.101	19%	0.188	C	C	.	.	S	Bend	trans	-74.3	11.9	-176.9	-75.8	0	0	0	0	115.6	L405 D406 L410 N431	L405-C408 VanDerWaalsContact O-CB 3.31Å; L405-C408 WeakPolarHBondContact O-CB 3.46Å; L405-C408 PolarHBondContact O-SG 2.72Å; D406-C408 PolarHBondContact O-N 3.18Å; D406-C408 PolarHBondContact O-SG 2.74Å; C408-L410 HydrophobicContact CB-CD1 4.1Å; C408-L410 HydrophobicContact CB-CD2 4.37Å; C408-L410 HydrophobicContact CB-CG 3.8Å; C408-L410 PolarHBondContact O-N 3.03Å; C408-N431 WeakPolarHBondContact CA-OD1 3.4Å; C408-N431 PolarHBondContact N-OD1 3.39Å
409	Q	79.6	Confident	85.2	Confident	10 Å²	10	35 Å²	35	5%	0.047	17%	0.174	C	C	.	.			trans	58.8	25.5	-179.1	-46	-165.7	-91.9	0	0	114.1	I323 D377 L380 R407 N431 Y432	I323-Q409 VanDerWaalsContact CD1-NE2 3.29Å; D377-Q409 PolarHBondContact OD1-NE2 3.34Å; D377-Q409 VanDerWaalsContact OD1-NE2 3.13Å; L380-Q409 HydrophobicContact CD1-CB 4.29Å; R407-Q409 PolarHBondContact O-N 2.74Å; R407-Q409 VanDerWaalsContact O-N 3.08Å; Q409-N431 PolarHBondContact N-OD1 2.86Å; Q409-Y432 HydrophobicContact CB-CD2 4.2Å; Q409-Y432 HydrophobicContact CB-CE2 3.65Å; Q409-Y432 HydrophobicContact CG-CE2 4.08Å; Q409-Y432 PolarHBondContact NE2-OH 2.99Å
410	L	83.7	Confident	85.3	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.155	C	C	.	.			trans	-76.2	141.7	-176.8	-58.3	176.1	0	0	0	111.9	S387 I390 L405 C408 L428 N431 Y432 F433	S387-L410 WeakPolarHBondContact OG-CA 3.4Å; I390-L410 HydrophobicContact CD1-CD1 4.05Å; I390-L410 HydrophobicContact CD1-CD2 4.18Å; I390-L410 HydrophobicContact CG1-CD1 4.39Å; I390-L410 HydrophobicContact CG1-CD2 3.93Å; L405-L410 HydrophobicContact CB-CD1 3.98Å; L405-L410 HydrophobicContact CD1-CD1 4.22Å; C408-L410 HydrophobicContact CB-CD1 4.1Å; C408-L410 HydrophobicContact CB-CD2 4.37Å; C408-L410 HydrophobicContact CB-CG 3.8Å; C408-L410 PolarHBondContact O-N 3.03Å; L410-L428 HydrophobicContact CD1-CD2 4.08Å; L410-N431 HydrophobicContact CB-CB 4.28Å; L410-N431 WeakPolarHBondContact CB-OD1 3.14Å; L410-N431 PolarHBondContact N-OD1 3.34Å; L410-N431 WeakPolarHBondContact O-CB 3.21Å; L410-Y432 CarbonylContact O-C 3.58Å; L410-Y432 WeakPolarHBondContact O-CA 3.29Å; L410-Y432 PolarHBondContact O-N 2.68Å; L410-F433 HydrophobicContact CB-CE1 4.36Å; L410-F433 HydrophobicContact CB-CE2 4.14Å; L410-F433 HydrophobicContact CB-CZ 3.68Å; L410-F433 HydrophobicContact CD1-CZ 4.48Å; L410-F433 PolarHBondContact O-N 3.47Å
411	N	83.2	Confident	85.1	Confident	24 Å²	24	38.4 Å²	38.4	13%	0.128	19%	0.191	C	C	.	.			trans	-129.7	-3.4	167.7	64.1	9.1	0	0	0	112.6	L380 M385 K386 S387 Y432 F433	L380-N411 PolarHBondContact O-ND2 3.14Å; M385-N411 PolarHBondContact O-ND2 3.39Å; K386-N411 WeakPolarHBondContact CA-OD1 3.37Å; S387-N411 PolarHBondContact N-OD1 3.26Å; S387-N411 PolarHBondContact OG-N 2.98Å; S387-N411 PolarHBondContact OG-OD1 2.91Å; N411-Y432 VanDerWaalsContact CB-O 3.28Å; N411-Y432 WeakPolarHBondContact CB-O 3.14Å; N411-F433 VanDerWaalsContact C-CD1 3.42Å; N411-F433 WeakPolarHBondContact O-CD1 3.47Å
412	F	84	Confident	85	Confident	54 Å²	54	43.4 Å²	43.4	24%	0.237	21%	0.206	C	C	.	.			trans	-140.1	140.7	-178.7	-179.2	-106.1	0	0	0	110.8	K386 S387 Y388 P414	K386-F412 HydrophobicContact CB-CB 4.07Å; K386-F412 HydrophobicContact CB-CG 4.28Å; K386-F412 HydrophobicContact CD-CD1 4.47Å; K386-F412 HydrophobicContact CD-CD2 4.02Å; K386-F412 HydrophobicContact CD-CE2 4.33Å; K386-F412 HydrophobicContact CD-CG 4.1Å; K386-F412 HydrophobicContact CG-CB 4.15Å; K386-F412 HydrophobicContact CG-CD2 4.41Å; K386-F412 HydrophobicContact CG-CG 4.2Å; S387-F412 PolarHBondContact OG-N 3.01Å; S387-F412 VanDerWaalsContact OG-N 3.14Å; S387-F412 PolarHBondContact OG-O 2.94Å; Y388-F412 HydrophobicContact CE1-CD1 4.24Å; Y388-F412 HydrophobicContact CE1-CE1 4.06Å; F412-P414 HydrophobicContact CE1-CB 4.2Å
413	I	84.4	Confident	84.9	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.015	20%	0.204	C	C	.	.			trans	-109.7	122.1	171.3	-65.9	-62	0	0	0	108	L417 L428 F433 P437	I413-L417 HydrophobicContact CG2-CB 4.15Å; I413-L417 HydrophobicContact CG2-CD2 3.62Å; I413-L417 HydrophobicContact CG2-CG 4.48Å; I413-L428 HydrophobicContact CD1-CD1 4.13Å; I413-L428 HydrophobicContact CD1-CD2 3.88Å; I413-F433 HydrophobicContact CD1-CE1 4.21Å; I413-F433 HydrophobicContact CD1-CZ 3.68Å; I413-F433 HydrophobicContact CG1-CE1 3.87Å; I413-F433 HydrophobicContact CG1-CZ 3.81Å; I413-P437 HydrophobicContact CB-CB 4.19Å; I413-P437 HydrophobicContact CG1-CB 3.94Å; I413-P437 HydrophobicContact CG1-CG 3.79Å
414	P	80.1	Confident	85	Confident	18 Å²	18	49.5 Å²	49.5	12%	0.117	23%	0.228	C	C	.	.			trans	-75.7	147.1	178.4	31.7	-34.8	0	0	0	111.8	F395 F412 N416 L417	F395-P414 HydrophobicContact CE1-CG 4.09Å; F395-P414 HydrophobicContact CE2-CG 4.16Å; F395-P414 HydrophobicContact CZ-CG 3.5Å; F395-P414 VanDerWaalsContact CZ-CG 3.5Å; F412-P414 HydrophobicContact CE1-CB 4.2Å; P414-N416 PolarHBondContact O-N 3.29Å; P414-L417 WeakPolarHBondContact O-CB 3.23Å; P414-L417 PolarHBondContact O-N 3.27Å
415	E	78.6	Confident	85.2	Confident	150 Å²	150	51.4 Å²	51.4	70%	0.701	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-56.8	-22.8	177.7	-66.6	171.9	-167.8	0	0	113.3	L417 T418	E415-L417 PolarHBondContact O-N 2.93Å; E415-T418 VanDerWaalsContact O-CB 3.24Å; E415-T418 WeakPolarHBondContact O-CB 3.31Å; E415-T418 WeakPolarHBondContact O-CG2 3.46Å; E415-T418 PolarHBondContact O-N 2.96Å; E415-T418 PolarHBondContact O-OG1 3.38Å
416	N	82	Confident	85.4	Confident	86 Å²	86	51.2 Å²	51.2	46%	0.46	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-58.1	-14.8	173.8	-60.6	97.9	0	0	0	114.1	F395 P414 T418 L419	F395-N416 HydrophobicContact CB-CB 4.03Å; F395-N416 HydrophobicContact CD1-CB 4.02Å; F395-N416 HydrophobicContact CD2-CB 3.69Å; F395-N416 HydrophobicContact CE1-CB 4.44Å; F395-N416 HydrophobicContact CE2-CB 4.16Å; F395-N416 HydrophobicContact CG-CB 3.63Å; P414-N416 PolarHBondContact O-N 3.29Å; N416-T418 PolarHBondContact O-N 3.09Å; N416-L419 HydrophobicContact CB-CD1 4.44Å; N416-L419 WeakPolarHBondContact O-CB 3.44Å; N416-L419 WeakPolarHBondContact O-CG 3.31Å; N416-L419 PolarHBondContact O-N 3.01Å; N416-L419 VanDerWaalsContact O-N 3.14Å
417	L	84	Confident	85.7	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-61.6	-26.2	171.8	-156	71.1	0	0	0	112.3	F395 L403 I413 P414 E415 L419 L420 L426 L443	F395-L417 HydrophobicContact CD1-CD1 4.27Å; F395-L417 HydrophobicContact CE1-CD1 3.92Å; L403-L417 HydrophobicContact CD2-CD1 4.09Å; I413-L417 HydrophobicContact CG2-CB 4.15Å; I413-L417 HydrophobicContact CG2-CD2 3.62Å; I413-L417 HydrophobicContact CG2-CG 4.48Å; P414-L417 WeakPolarHBondContact O-CB 3.23Å; P414-L417 PolarHBondContact O-N 3.27Å; E415-L417 PolarHBondContact O-N 2.93Å; L417-L419 PolarHBondContact O-N 2.86Å; L417-L420 HydrophobicContact CD1-CD1 3.82Å; L417-L420 PolarHBondContact O-N 3.03Å; L417-L420 VanDerWaalsContact O-N 3.08Å; L417-L426 HydrophobicContact CD2-CD2 4Å; L417-L443 HydrophobicContact CD2-CD1 3.49Å; L417-L443 VanDerWaalsContact CD2-CD1 3.49Å; L417-L443 HydrophobicContact CD2-CG 4.34Å; L417-L443 HydrophobicContact CG-CD1 3.9Å; L417-L443 HydrophobicContact CG-CG 4.48Å
418	T	81.5	Confident	86.2	Confident	59 Å²	59	48.8 Å²	48.8	36%	0.362	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-45.8	-31	167.7	50.9	0	0	0	0	114.6	E415 N416 L420 T442	E415-T418 VanDerWaalsContact O-CB 3.24Å; E415-T418 WeakPolarHBondContact O-CB 3.31Å; E415-T418 WeakPolarHBondContact O-CG2 3.46Å; E415-T418 PolarHBondContact O-N 2.96Å; E415-T418 PolarHBondContact O-OG1 3.38Å; N416-T418 PolarHBondContact O-N 3.09Å; T418-L420 PolarHBondContact O-N 3.05Å; T418-T442 VanDerWaalsContact CG2-CB 3.46Å; T418-T442 HydrophobicContact CG2-CG2 3.65Å
419	L	84.4	Confident	86.7	Confident	81 Å²	81	48.8 Å²	48.8	42%	0.424	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-72.9	-17.2	-174.4	-59.4	176.4	0	0	0	112.5	F395 N416 L417 K421	F395-L419 HydrophobicContact CB-CD1 4.16Å; F395-L419 VanDerWaalsContact O-CB 3.29Å; F395-L419 WeakPolarHBondContact O-CB 3.15Å; N416-L419 HydrophobicContact CB-CD1 4.44Å; N416-L419 WeakPolarHBondContact O-CB 3.44Å; N416-L419 WeakPolarHBondContact O-CG 3.31Å; N416-L419 PolarHBondContact O-N 3.01Å; N416-L419 VanDerWaalsContact O-N 3.14Å; L417-L419 PolarHBondContact O-N 2.86Å; L419-K421 VanDerWaalsContact C-N 3.25Å; L419-K421 PolarHBondContact O-N 2.84Å; L419-K421 VanDerWaalsContact O-N 3.1Å
420	L	87.2	Confident	87.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.242	C	C	.	.			trans	-86.6	56.9	178.9	-55.6	-176.3	0	0	0	111.5	L397 L400 L403 L417 T418 R422 L423	L397-L420 WeakPolarHBondContact O-CD2 3.28Å; L400-L420 HydrophobicContact CD2-CD1 4.25Å; L403-L420 HydrophobicContact CD2-CD1 4.05Å; L417-L420 HydrophobicContact CD1-CD1 3.82Å; L417-L420 PolarHBondContact O-N 3.03Å; L417-L420 VanDerWaalsContact O-N 3.08Å; T418-L420 PolarHBondContact O-N 3.05Å; L420-R422 PolarHBondContact O-N 2.65Å; L420-L423 HydrophobicContact CB-CB 4.03Å; L420-L423 HydrophobicContact CD1-CD2 4.35Å; L420-L423 WeakPolarHBondContact O-CB 3.34Å; L420-L423 PolarHBondContact O-N 3.29Å
421	K	85.5	Confident	87.4	Confident	174 Å²	174	52.7 Å²	52.7	76%	0.757	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-0.9	-177.9	-70.3	-167.3	173.9	-169.4	0	116.5	L419	L419-K421 VanDerWaalsContact C-N 3.25Å; L419-K421 PolarHBondContact O-N 2.84Å; L419-K421 VanDerWaalsContact O-N 3.1Å
422	R	89.6	Confident	87.6	Confident	142 Å²	142	53.5 Å²	53.5	54%	0.536	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	5.4	177.1	-67.8	-172.7	174.4	-150.2	-1.7	113.4	L400 T401 L420 R424	L400-R422 CarbonylContact O-C 3.3Å; L400-R422 VanDerWaalsContact O-C 3.3Å; T401-R422 WeakPolarHBondContact CA-O 3.33Å; L420-R422 PolarHBondContact O-N 2.65Å; R422-R424 PolarHBondContact O-N 3.01Å
423	L	92.4	Very high	87.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.234	C	C	.	.			trans	-72.5	114.3	-177.4	-164.6	74.5	0	0	0	111	L400 L403 L420 L426 L443 T446 L447	L400-L423 HydrophobicContact CD2-CD1 4.28Å; L400-L423 HydrophobicContact CG-CD1 4.37Å; L400-L423 PolarHBondContact O-N 3.13Å; L403-L423 HydrophobicContact CB-CD1 3.66Å; L403-L423 HydrophobicContact CB-CD2 4.35Å; L420-L423 HydrophobicContact CB-CB 4.03Å; L420-L423 HydrophobicContact CD1-CD2 4.35Å; L420-L423 WeakPolarHBondContact O-CB 3.34Å; L420-L423 PolarHBondContact O-N 3.29Å; L423-L426 HydrophobicContact CD2-CB 4.27Å; L423-L426 HydrophobicContact CD2-CD1 4.38Å; L423-L426 HydrophobicContact CD2-CD2 4.38Å; L423-L443 HydrophobicContact CD2-CD1 3.81Å; L423-T446 CarbonylContact O-C 3.51Å; L423-T446 VanDerWaalsContact O-C 3.28Å; L423-T446 VanDerWaalsContact O-CB 3.26Å; L423-T446 WeakPolarHBondContact O-CB 3.29Å; L423-T446 VanDerWaalsContact O-O 3.12Å; L423-T446 PolarHBondContact O-OG1 2.92Å; L423-L447 HydrophobicContact CD2-CD2 4.43Å; L423-L447 HydrophobicContact CG-CD2 4.35Å
424	R	94.1	Very high	87.7	Confident	133 Å²	133	56.1 Å²	56.1	50%	0.502	25%	0.252	S	S	.	.			trans	-102.5	-32	178.8	-68.9	170.7	-173.7	-102.7	2	112.3	T401 R422 T446 L447 E448 Y449	T401-R424 PolarHBondContact O-N 2.83Å; R422-R424 PolarHBondContact O-N 3.01Å; R424-T446 WeakPolarHBondContact CA-O 3.47Å; R424-L447 CarbonylContact O-C 3.36Å; R424-L447 WeakPolarHBondContact O-CA 3.15Å; R424-E448 VanDerWaalsContact CD-OE1 3.23Å; R424-E448 WeakPolarHBondContact CD-OE1 3.25Å; R424-E448 IonicContact CZ-OE1 3.82Å; R424-E448 IonicContact NE-OE1 2.74Å; R424-E448 IonicContact NH1-OE1 3.81Å; R424-E448 PolarHBondContact NH1-OE1 2.94Å; R424-E448 PolarHBondContact O-N 3.24Å; R424-Y449 PolarHBondContact O-N 3.27Å
425	E	95.4	Very high	87.9	Confident	57 Å²	57	57.1 Å²	57.1	27%	0.266	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.9	-177.2	-50.4	171.5	-149.7	0	0	111.1	T401 A402 L403 Y427 Y449	T401-E425 PolarHBondContact O-N 2.81Å; A402-E425 WeakPolarHBondContact CA-O 3.28Å; A402-E425 HydrophobicContact CB-CB 3.94Å; A402-E425 HydrophobicContact CB-CG 4.4Å; L403-E425 PolarHBondContact N-O 2.79Å; E425-Y427 HydrophobicContact CB-CE2 3.87Å; E425-Y427 PolarHBondContact OE2-OH 3.39Å; E425-Y449 WeakPolarHBondContact CA-O 3.11Å
426	L	94.5	Very high	88.3	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	113.5	179.7	178.8	55	0	0	0	111.2	L403 L417 L423 L428 L440 L443 L447 Y449 D451	L403-L426 HydrophobicContact CB-CD1 4.38Å; L403-L426 HydrophobicContact CD2-CD1 4.43Å; L403-L426 HydrophobicContact CG-CD1 4.38Å; L417-L426 HydrophobicContact CD2-CD2 4Å; L423-L426 HydrophobicContact CD2-CB 4.27Å; L423-L426 HydrophobicContact CD2-CD1 4.38Å; L423-L426 HydrophobicContact CD2-CD2 4.38Å; L426-L428 HydrophobicContact CD1-CD1 4.22Å; L426-L428 HydrophobicContact CD1-CD2 4.34Å; L426-L428 HydrophobicContact CD1-CG 3.98Å; L426-L428 HydrophobicContact CD2-CD1 3.95Å; L426-L428 HydrophobicContact CG-CD1 3.87Å; L426-L428 HydrophobicContact CG-CG 4Å; L426-L440 HydrophobicContact CD2-CD1 3.54Å; L426-L443 HydrophobicContact CD2-CD1 3.77Å; L426-L447 HydrophobicContact CB-CD1 4.47Å; L426-L447 HydrophobicContact CB-CD2 3.7Å; L426-L447 HydrophobicContact CD2-CD1 4.32Å; L426-Y449 PolarHBondContact N-O 3.03Å; L426-D451 PolarHBondContact O-N 2.9Å; L426-D451 VanDerWaalsContact O-N 3.13Å
427	Y	93.1	Very high	88.3	Confident	14 Å²	14	47.6 Å²	47.6	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.8	-179.9	-57.5	-113.1	0	0	0	109.6	L403 H404 L405 D406 E425 Y449 D451	L403-Y427 PolarHBondContact O-N 3.17Å; H404-Y427 AromaticContact CE1-CD1 3.98Å; H404-Y427 AromaticContact CE1-CD2 3.31Å; H404-Y427 WeakPolarHBondContact CE1-CD2 3.33Å; H404-Y427 AromaticContact CE1-CE1 3.85Å; H404-Y427 AromaticContact CE1-CE2 3.17Å; H404-Y427 WeakPolarHBondContact CE1-CE2 3.01Å; H404-Y427 AromaticContact CE1-CG 3.74Å; H404-Y427 AromaticContact CE1-CZ 3.47Å; H404-Y427 VanDerWaalsContact CE1-CZ 3.47Å; H404-Y427 AromaticContact CG-CD2 3.72Å; H404-Y427 AromaticContact CG-CG 4Å; H404-Y427 AromaticContact ND1-CD1 3.73Å; H404-Y427 AromaticContact ND1-CD2 3.26Å; H404-Y427 VanDerWaalsContact ND1-CD2 3.26Å; H404-Y427 WeakPolarHBondContact ND1-CD2 3.06Å; H404-Y427 AromaticContact ND1-CE2 3.66Å; H404-Y427 AromaticContact ND1-CG 3.32Å; H404-Y427 VanDerWaalsContact ND1-CG 3.32Å; H404-Y427 AromaticContact NE2-CD2 3.81Å; H404-Y427 AromaticContact NE2-CE2 3.63Å; L405-Y427 PolarHBondContact N-O 2.85Å; D406-Y427 VanDerWaalsContact OD2-CB 3.24Å; D406-Y427 WeakPolarHBondContact OD2-CB 3.4Å; E425-Y427 HydrophobicContact CB-CE2 3.87Å; E425-Y427 PolarHBondContact OE2-OH 3.39Å; Y427-Y449 HydrophobicContact CD1-CD1 4.43Å; Y427-Y449 AromaticContact CD1-CE1 3.58Å; Y427-Y449 HydrophobicContact CD1-CE1 3.58Å; Y427-Y449 HydrophobicContact CD2-CD1 4.42Å; Y427-Y449 HydrophobicContact CD2-CE1 4.33Å; Y427-Y449 HydrophobicContact CE1-CD1 4.01Å; Y427-Y449 AromaticContact CE1-CE1 3.16Å; Y427-Y449 HydrophobicContact CE1-CE1 3.16Å; Y427-Y449 HydrophobicContact CE1-CE2 4.39Å; Y427-Y449 AromaticContact CE1-CZ 3.41Å; Y427-Y449 VanDerWaalsContact CE1-CZ 3.41Å; Y427-Y449 WeakPolarHBondContact CE1-OH 3.34Å; Y427-Y449 AromaticContact CE2-CD1 3.99Å; Y427-Y449 HydrophobicContact CE2-CD1 3.99Å; Y427-Y449 AromaticContact CE2-CE1 3.98Å; Y427-Y449 HydrophobicContact CE2-CE1 3.98Å; Y427-Y449 HydrophobicContact CG-CE1 4.14Å; Y427-Y449 AromaticContact CZ-CD1 3.75Å; Y427-Y449 AromaticContact CZ-CE1 3.37Å; Y427-Y449 AromaticContact CZ-CZ 3.72Å; Y427-D451 HydrophobicContact CD1-CB 4.35Å
428	L	92.5	Very high	88.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.258	C	S	.	.			trans	-132	20.3	-173.6	-74.1	171.3	0	0	0	111.6	L405 L410 I413 L426 N431 F433 L440 D451 L452 N455	L405-L428 HydrophobicContact CB-CD2 3.9Å; L405-L428 HydrophobicContact CD1-CD2 4.16Å; L410-L428 HydrophobicContact CD1-CD2 4.08Å; I413-L428 HydrophobicContact CD1-CD1 4.13Å; I413-L428 HydrophobicContact CD1-CD2 3.88Å; L426-L428 HydrophobicContact CD1-CD1 4.22Å; L426-L428 HydrophobicContact CD1-CD2 4.34Å; L426-L428 HydrophobicContact CD1-CG 3.98Å; L426-L428 HydrophobicContact CD2-CD1 3.95Å; L426-L428 HydrophobicContact CG-CD1 3.87Å; L426-L428 HydrophobicContact CG-CG 4Å; L428-N431 VanDerWaalsContact C-ND2 3.33Å; L428-N431 PolarHBondContact O-ND2 3.28Å; L428-F433 HydrophobicContact CB-CE2 4.16Å; L428-F433 HydrophobicContact CD1-CE2 4.4Å; L428-F433 HydrophobicContact CD2-CE2 4.04Å; L428-F433 HydrophobicContact CD2-CZ 4.25Å; L428-F433 HydrophobicContact CG-CE2 4.44Å; L428-L440 HydrophobicContact CD1-CD1 4.38Å; L428-D451 CarbonylContact C-O 3.04Å; L428-D451 WeakPolarHBondContact CA-O 3.4Å; L428-D451 WeakPolarHBondContact CB-O 3.44Å; L428-D451 PolarHBondContact N-O 2.83Å; L428-L452 HydrophobicContact CB-CD2 3.94Å; L428-L452 HydrophobicContact CD1-CD2 3.91Å; L428-N455 PolarHBondContact O-ND2 3.1Å
429	S	91.6	Very high	88.1	Confident	15 Å²	15	53.2 Å²	53.2	11%	0.105	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	155.8	-173.8	75.9	0	0	0	0	112.6	D406 R407 N431 D451 S453	D406-S429 WeakPolarHBondContact CA-O 3.4Å; D406-S429 VanDerWaalsContact OD1-CB 3.28Å; D406-S429 WeakPolarHBondContact OD1-CB 3.31Å; D406-S429 PolarHBondContact OD1-N 3.34Å; D406-S429 PolarHBondContact OD1-OG 2.76Å; R407-S429 PolarHBondContact N-O 2.95Å; S429-N431 PolarHBondContact O-N 2.77Å; S429-N431 VanDerWaalsContact O-N 3.1Å; S429-N431 PolarHBondContact O-ND2 2.86Å; S429-D451 PolarHBondContact N-O 3.09Å; S429-S453 CarbonylContact C-O 3.44Å; S429-S453 WeakPolarHBondContact CA-O 3.28Å; S429-S453 WeakPolarHBondContact CB-O 3.14Å
430	K	88.6	Confident	88.3	Confident	89 Å²	89	49.4 Å²	49.4	39%	0.387	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	27.8	172.2	-63.4	165.6	-178.1	161.6	0	114.2	R407 S453 D454	R407-K430 HydrophobicContact CG-CB 3.93Å; R407-K430 HydrophobicContact CG-CD 4.28Å; K430-S453 PolarHBondContact N-O 2.97Å; K430-D454 HydrophobicContact CB-CB 4.31Å; K430-D454 WeakPolarHBondContact CE-OD2 3.34Å; K430-D454 HydrophobicContact CG-CB 3.49Å; K430-D454 VanDerWaalsContact CG-CB 3.49Å; K430-D454 WeakPolarHBondContact CG-OD2 3.17Å; K430-D454 IonicContact NZ-OD2 3.16Å
431	N	88.9	Confident	88.2	Confident	6 Å²	6	51 Å²	51	3%	0.032	23%	0.231	C	C	.	.	S	Bend	trans	-91	-166.9	172.4	-81.9	-64	0	0	0	110.5	L405 C408 Q409 L410 L428 S429 F433 N455	L405-N431 PolarHBondContact O-ND2 2.91Å; C408-N431 WeakPolarHBondContact CA-OD1 3.4Å; C408-N431 PolarHBondContact N-OD1 3.39Å; Q409-N431 PolarHBondContact N-OD1 2.86Å; L410-N431 HydrophobicContact CB-CB 4.28Å; L410-N431 WeakPolarHBondContact CB-OD1 3.14Å; L410-N431 PolarHBondContact N-OD1 3.34Å; L410-N431 WeakPolarHBondContact O-CB 3.21Å; L428-N431 VanDerWaalsContact C-ND2 3.33Å; L428-N431 PolarHBondContact O-ND2 3.28Å; S429-N431 PolarHBondContact O-N 2.77Å; S429-N431 VanDerWaalsContact O-N 3.1Å; S429-N431 PolarHBondContact O-ND2 2.86Å; N431-F433 HydrophobicContact CB-CD2 3.88Å; N431-F433 HydrophobicContact CB-CE2 3.79Å; N431-N455 VanDerWaalsContact CA-OD1 3.24Å; N431-N455 WeakPolarHBondContact CA-OD1 3.4Å; N431-N455 WeakPolarHBondContact CB-OD1 3.47Å; N431-N455 PolarHBondContact N-OD1 3.25Å; N431-N455 PolarHBondContact O-OD1 3.24Å
432	Y	86.3	Confident	88.1	Confident	42 Å²	42	45.4 Å²	45.4	17%	0.165	21%	0.212	C	C	.	.			trans	-116.7	32.9	-178.2	-52.1	-26	0	0	0	112.2	D377 L380 R381 Q409 L410 N411 R434 N455	D377-Y432 PolarHBondContact OD1-OH 2.66Å; L380-Y432 HydrophobicContact CB-CD2 3.84Å; L380-Y432 HydrophobicContact CB-CE2 4.26Å; R381-Y432 HydrophobicContact CG-CD1 4.34Å; R381-Y432 HydrophobicContact CG-CD2 3.96Å; R381-Y432 HydrophobicContact CG-CE2 4.09Å; R381-Y432 HydrophobicContact CG-CG 4.12Å; R381-Y432 PolarHBondContact NH2-OH 3.3Å; Q409-Y432 HydrophobicContact CB-CD2 4.2Å; Q409-Y432 HydrophobicContact CB-CE2 3.65Å; Q409-Y432 HydrophobicContact CG-CE2 4.08Å; Q409-Y432 PolarHBondContact NE2-OH 2.99Å; L410-Y432 CarbonylContact O-C 3.58Å; L410-Y432 WeakPolarHBondContact O-CA 3.29Å; L410-Y432 PolarHBondContact O-N 2.68Å; N411-Y432 VanDerWaalsContact CB-O 3.28Å; N411-Y432 WeakPolarHBondContact CB-O 3.14Å; Y432-R434 PolarHBondContact O-N 2.9Å; Y432-N455 PolarHBondContact N-OD1 2.96Å
433	F	87.5	Confident	88	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.018	19%	0.187	C	C	.	.			trans	-66.4	124.7	173.4	-65.2	-67.1	0	0	0	110.4	L410 N411 I413 L428 N431 P437 N455 L457	L410-F433 HydrophobicContact CB-CE1 4.36Å; L410-F433 HydrophobicContact CB-CE2 4.14Å; L410-F433 HydrophobicContact CB-CZ 3.68Å; L410-F433 HydrophobicContact CD1-CZ 4.48Å; L410-F433 PolarHBondContact O-N 3.47Å; N411-F433 VanDerWaalsContact C-CD1 3.42Å; N411-F433 WeakPolarHBondContact O-CD1 3.47Å; I413-F433 HydrophobicContact CD1-CE1 4.21Å; I413-F433 HydrophobicContact CD1-CZ 3.68Å; I413-F433 HydrophobicContact CG1-CE1 3.87Å; I413-F433 HydrophobicContact CG1-CZ 3.81Å; L428-F433 HydrophobicContact CB-CE2 4.16Å; L428-F433 HydrophobicContact CD1-CE2 4.4Å; L428-F433 HydrophobicContact CD2-CE2 4.04Å; L428-F433 HydrophobicContact CD2-CZ 4.25Å; L428-F433 HydrophobicContact CG-CE2 4.44Å; N431-F433 HydrophobicContact CB-CD2 3.88Å; N431-F433 HydrophobicContact CB-CE2 3.79Å; F433-P437 HydrophobicContact CD1-CB 3.93Å; F433-P437 HydrophobicContact CD1-CG 3.82Å; F433-P437 HydrophobicContact CE1-CB 3.96Å; F433-P437 HydrophobicContact CE1-CG 3.86Å; F433-P437 HydrophobicContact CG-CG 4.34Å; F433-P437 HydrophobicContact CZ-CG 4.43Å; F433-N455 HydrophobicContact CB-CB 4.18Å; F433-N455 WeakPolarHBondContact CD2-OD1 3.33Å; F433-N455 PolarHBondContact N-OD1 2.59Å; F433-N455 VanDerWaalsContact N-OD1 3.14Å; F433-L457 VanDerWaalsContact O-CD2 3.26Å; F433-L457 WeakPolarHBondContact O-CD2 3.18Å
434	R	82.9	Confident	87.6	Confident	108 Å²	108	41.9 Å²	41.9	41%	0.408	20%	0.201	S	C	.	.	S	Bend	trans	-88.7	-23	178.2	-68.5	-175.2	130.6	-154.1	-16.5	113.7	R381 S382 Y432 L457 D458	R381-R434 PolarHBondContact O-NE 3.48Å; S382-R434 PolarHBondContact O-NH1 3.36Å; Y432-R434 PolarHBondContact O-N 2.9Å; R434-L457 WeakPolarHBondContact O-CA 3.19Å; R434-L457 WeakPolarHBondContact O-CB 3.32Å; R434-D458 HydrophobicContact CB-CB 4.48Å; R434-D458 HydrophobicContact CG-CB 4.3Å; R434-D458 IonicContact CZ-OD2 3.68Å; R434-D458 IonicContact NE-OD2 3.54Å; R434-D458 PolarHBondContact NE-OD2 3.17Å; R434-D458 IonicContact NH2-OD2 3.16Å; R434-D458 PolarHBondContact NH2-OD2 3.25Å; R434-D458 PolarHBondContact O-N 2.84Å
435	G	84.6	Confident	87.2	Confident	38 Å²	38	40.6 Å²	40.6	39%	0.392	21%	0.205	S	C	.	.	S	Bend	trans	-145.7	177.2	169	0	0	0	0	0	109.8	P437	G435-P437 WeakPolarHBondContact O-CD 3.32Å
436	I	87.6	Confident	86.9	Confident	22 Å²	22	39.6 Å²	39.6	11%	0.113	20%	0.202	C	C	.	.			trans	-61.9	117.4	173.8	-55.2	-59.3	0	0	0	108.9	Q438 L440 F441 L452 L467 F471 M486	I436-Q438 PolarHBondContact O-N 2.83Å; I436-L440 HydrophobicContact CG2-CD2 4.21Å; I436-F441 HydrophobicContact CB-CZ 4.47Å; I436-F441 HydrophobicContact CG2-CE1 4.5Å; I436-F441 HydrophobicContact CG2-CE2 3.89Å; I436-F441 HydrophobicContact CG2-CZ 3.65Å; I436-L452 HydrophobicContact CD1-CD1 3.95Å; I436-L467 HydrophobicContact CD1-CD2 3.82Å; I436-L467 HydrophobicContact CG1-CD2 4.04Å; I436-F471 HydrophobicContact CD1-CE2 4.44Å; I436-F471 HydrophobicContact CG1-CE2 4.5Å; I436-F471 HydrophobicContact CG2-CD2 4.44Å; I436-F471 HydrophobicContact CG2-CE2 4.04Å; I436-M486 HydrophobicContact CD1-CE 3.78Å
437	P	83.2	Confident	86.9	Confident	14 Å²	14	39.6 Å²	39.6	9%	0.091	20%	0.202	C	C	.	.			trans	-70.4	128.6	-173	26.3	-32.4	0	0	0	110.7	I413 F433 G435 G439 L440	I413-P437 HydrophobicContact CB-CB 4.19Å; I413-P437 HydrophobicContact CG1-CB 3.94Å; I413-P437 HydrophobicContact CG1-CG 3.79Å; F433-P437 HydrophobicContact CD1-CB 3.93Å; F433-P437 HydrophobicContact CD1-CG 3.82Å; F433-P437 HydrophobicContact CE1-CB 3.96Å; F433-P437 HydrophobicContact CE1-CG 3.86Å; F433-P437 HydrophobicContact CG-CG 4.34Å; F433-P437 HydrophobicContact CZ-CG 4.43Å; G435-P437 WeakPolarHBondContact O-CD 3.32Å; P437-G439 VanDerWaalsContact C-N 3.25Å; P437-G439 PolarHBondContact O-N 2.94Å; P437-G439 VanDerWaalsContact O-N 3.16Å; P437-L440 HydrophobicContact CG-CB 4.25Å; P437-L440 WeakPolarHBondContact O-CB 3.37Å; P437-L440 PolarHBondContact O-N 2.89Å
438	Q	80.8	Confident	87	Confident	171 Å²	171	41.1 Å²	41.1	80%	0.799	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-57.4	-35.8	-172.8	-69.3	-178.9	-6.4	0	0	113.6	I436 L440 F441	I436-Q438 PolarHBondContact O-N 2.83Å; Q438-L440 PolarHBondContact O-N 2.78Å; Q438-L440 VanDerWaalsContact O-N 3.08Å; Q438-F441 WeakPolarHBondContact O-CD2 3.31Å; Q438-F441 PolarHBondContact O-N 2.88Å; Q438-F441 VanDerWaalsContact O-N 3.11Å
439	G	80.3	Confident	87.2	Confident	8 Å²	8	41.7 Å²	41.7	8%	0.082	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.2	-6.1	175.2	0	0	0	0	0	115.4	P437 T442	P437-G439 VanDerWaalsContact C-N 3.25Å; P437-G439 PolarHBondContact O-N 2.94Å; P437-G439 VanDerWaalsContact O-N 3.16Å; G439-T442 PolarHBondContact O-OG1 3.32Å
440	L	87.9	Confident	87.4	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-76.8	-34.4	171	-172.7	65.9	0	0	0	112	L426 L428 I436 P437 Q438 T442 L443 L447 L450 L452 F475	L426-L440 HydrophobicContact CD2-CD1 3.54Å; L428-L440 HydrophobicContact CD1-CD1 4.38Å; I436-L440 HydrophobicContact CG2-CD2 4.21Å; P437-L440 HydrophobicContact CG-CB 4.25Å; P437-L440 WeakPolarHBondContact O-CB 3.37Å; P437-L440 PolarHBondContact O-N 2.89Å; Q438-L440 PolarHBondContact O-N 2.78Å; Q438-L440 VanDerWaalsContact O-N 3.08Å; L440-T442 PolarHBondContact O-N 2.93Å; L440-L443 PolarHBondContact O-N 3.35Å; L440-L443 VanDerWaalsContact O-N 3.12Å; L440-L447 HydrophobicContact CD1-CD1 4.16Å; L440-L450 HydrophobicContact CD1-CD1 3.94Å; L440-L450 HydrophobicContact CD2-CD1 4.12Å; L440-L450 HydrophobicContact CD2-CD2 3.91Å; L440-L452 HydrophobicContact CD2-CD1 3.93Å; L440-L452 HydrophobicContact CD2-CD2 4.42Å; L440-F475 HydrophobicContact CD2-CZ 4.34Å; L440-F475 HydrophobicContact CG-CZ 3.93Å
441	F	85.4	Confident	87.7	Confident	34 Å²	34	37.6 Å²	37.6	15%	0.149	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-67.2	-6.3	-179.4	-63.7	-68.2	0	0	0	113.4	I436 Q438 L443 H444 P468 F471 K474 F475	I436-F441 HydrophobicContact CB-CZ 4.47Å; I436-F441 HydrophobicContact CG2-CE1 4.5Å; I436-F441 HydrophobicContact CG2-CE2 3.89Å; I436-F441 HydrophobicContact CG2-CZ 3.65Å; Q438-F441 WeakPolarHBondContact O-CD2 3.31Å; Q438-F441 PolarHBondContact O-N 2.88Å; Q438-F441 VanDerWaalsContact O-N 3.11Å; F441-L443 VanDerWaalsContact C-N 3.29Å; F441-H444 PolarHBondContact O-ND1 2.89Å; F441-P468 HydrophobicContact CZ-CB 4.43Å; F441-P468 HydrophobicContact CZ-CG 4.04Å; F441-F471 AromaticContact CE1-CD2 3.88Å; F441-F471 HydrophobicContact CE1-CD2 3.88Å; F441-F471 HydrophobicContact CE1-CE2 4.41Å; F441-F471 HydrophobicContact CZ-CD2 4.14Å; F441-K474 HydrophobicContact CB-CD 4.43Å; F441-K474 HydrophobicContact CD1-CB 4.49Å; F441-K474 HydrophobicContact CD1-CD 3.6Å; F441-K474 HydrophobicContact CE1-CD 4.18Å; F441-K474 HydrophobicContact CG-CD 4.23Å; F441-F475 AromaticContact CD1-CE2 3.54Å; F441-F475 HydrophobicContact CD1-CE2 3.54Å; F441-F475 AromaticContact CD1-CZ 3.78Å; F441-F475 HydrophobicContact CD1-CZ 3.78Å; F441-F475 HydrophobicContact CE1-CD2 4.49Å; F441-F475 AromaticContact CE1-CE2 3.59Å; F441-F475 HydrophobicContact CE1-CE2 3.59Å; F441-F475 HydrophobicContact CE1-CZ 4.23Å
442	T	84.2	Confident	87.9	Confident	57 Å²	57	37.4 Å²	37.4	35%	0.35	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-78.1	-14.8	173.5	66.5	0	0	0	0	113.4	T418 G439 L440	T418-T442 VanDerWaalsContact CG2-CB 3.46Å; T418-T442 HydrophobicContact CG2-CG2 3.65Å; G439-T442 PolarHBondContact O-OG1 3.32Å; L440-T442 PolarHBondContact O-N 2.93Å
443	L	85.5	Confident	88.3	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-100.7	14.9	179.6	-60.7	175.8	0	0	0	113.2	L417 L423 L426 L440 F441 N445 T446 L447	L417-L443 HydrophobicContact CD2-CD1 3.49Å; L417-L443 VanDerWaalsContact CD2-CD1 3.49Å; L417-L443 HydrophobicContact CD2-CG 4.34Å; L417-L443 HydrophobicContact CG-CD1 3.9Å; L417-L443 HydrophobicContact CG-CG 4.48Å; L423-L443 HydrophobicContact CD2-CD1 3.81Å; L426-L443 HydrophobicContact CD2-CD1 3.77Å; L440-L443 PolarHBondContact O-N 3.35Å; L440-L443 VanDerWaalsContact O-N 3.12Å; F441-L443 VanDerWaalsContact C-N 3.29Å; L443-N445 VanDerWaalsContact C-N 3.25Å; L443-N445 PolarHBondContact O-N 2.88Å; L443-N445 VanDerWaalsContact O-N 3.17Å; L443-T446 PolarHBondContact O-N 3.14Å; L443-T446 PolarHBondContact O-OG1 2.71Å; L443-L447 HydrophobicContact CB-CD1 3.79Å; L443-L447 HydrophobicContact CB-CG 3.86Å; L443-L447 HydrophobicContact CD1-CD1 4.06Å; L443-L447 HydrophobicContact CD1-CD2 4.35Å; L443-L447 HydrophobicContact CD1-CG 4.32Å; L443-L447 PolarHBondContact O-N 2.99Å
444	H	84.2	Confident	88.4	Confident	64 Å²	64	38.5 Å²	38.5	30%	0.296	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33	-168.5	63.1	-86.5	0	0	0	114.5	F441 K474 F475	F441-H444 PolarHBondContact O-ND1 2.89Å; H444-K474 HydrophobicContact CB-CB 3.91Å; H444-K474 WeakPolarHBondContact CB-O 3.34Å; H444-F475 HydrophobicContact CB-CD1 4.18Å; H444-F475 HydrophobicContact CB-CE1 4.17Å
445	N	85.6	Confident	88.7	Confident	106 Å²	106	33.4 Å²	33.4	57%	0.567	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	4.6	178.7	-66.7	-20.8	0	0	0	114.6	L443	L443-N445 VanDerWaalsContact C-N 3.25Å; L443-N445 PolarHBondContact O-N 2.88Å; L443-N445 VanDerWaalsContact O-N 3.17Å
446	T	90.5	Very high	88.2	Confident	36 Å²	36	38.7 Å²	38.7	22%	0.221	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-26.5	-174.8	71.1	0	0	0	0	115.1	L423 R424 L443	L423-T446 CarbonylContact O-C 3.51Å; L423-T446 VanDerWaalsContact O-C 3.28Å; L423-T446 VanDerWaalsContact O-CB 3.26Å; L423-T446 WeakPolarHBondContact O-CB 3.29Å; L423-T446 VanDerWaalsContact O-O 3.12Å; L423-T446 PolarHBondContact O-OG1 2.92Å; R424-T446 WeakPolarHBondContact CA-O 3.47Å; L443-T446 PolarHBondContact O-N 3.14Å; L443-T446 PolarHBondContact O-OG1 2.71Å
447	L	93.3	Very high	87.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.			trans	-76.2	128.6	-177.6	-68.9	173.7	0	0	0	112.7	L423 R424 L426 L440 L443 F475 M477 L478	L423-L447 HydrophobicContact CD2-CD2 4.43Å; L423-L447 HydrophobicContact CG-CD2 4.35Å; R424-L447 CarbonylContact O-C 3.36Å; R424-L447 WeakPolarHBondContact O-CA 3.15Å; L426-L447 HydrophobicContact CB-CD1 4.47Å; L426-L447 HydrophobicContact CB-CD2 3.7Å; L426-L447 HydrophobicContact CD2-CD1 4.32Å; L440-L447 HydrophobicContact CD1-CD1 4.16Å; L443-L447 HydrophobicContact CB-CD1 3.79Å; L443-L447 HydrophobicContact CB-CG 3.86Å; L443-L447 HydrophobicContact CD1-CD1 4.06Å; L443-L447 HydrophobicContact CD1-CD2 4.35Å; L443-L447 HydrophobicContact CD1-CG 4.32Å; L443-L447 PolarHBondContact O-N 2.99Å; L447-F475 HydrophobicContact CD1-CE1 4.22Å; L447-M477 CarbonylContact O-C 3.2Å; L447-M477 WeakPolarHBondContact O-CB 3.44Å; L447-L478 HydrophobicContact CB-CD2 3.92Å; L447-L478 PolarHBondContact O-N 3Å
448	E	95.7	Very high	87.2	Confident	45 Å²	45	40.8 Å²	40.8	21%	0.21	21%	0.206	C	C	.	.	S	Bend	trans	-102.5	-28.7	166.6	-73.9	176.4	-106	0	0	112	R424 M477 K479 V480	R424-E448 VanDerWaalsContact CD-OE1 3.23Å; R424-E448 WeakPolarHBondContact CD-OE1 3.25Å; R424-E448 IonicContact CZ-OE1 3.82Å; R424-E448 IonicContact NE-OE1 2.74Å; R424-E448 IonicContact NH1-OE1 3.81Å; R424-E448 PolarHBondContact NH1-OE1 2.94Å; R424-E448 PolarHBondContact O-N 3.24Å; E448-M477 WeakPolarHBondContact CA-O 3.25Å; E448-K479 HydrophobicContact CB-CD 4.46Å; E448-K479 HydrophobicContact CG-CD 4.47Å; E448-K479 PolarHBondContact O-N 2.97Å; E448-K479 WeakPolarHBondContact OE2-CD 3.43Å; E448-K479 WeakPolarHBondContact OE2-CE 3.14Å; E448-K479 IonicContact OE2-NZ 2.68Å; E448-K479 PolarHBondContact OE2-NZ 2.94Å; E448-V480 PolarHBondContact O-N 2.95Å
449	Y	96.5	Very high	86.1	Confident	13 Å²	13	34.4 Å²	34.4	5%	0.051	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.4	179.8	-174.2	-70	0	0	0	110.7	R424 E425 L426 Y427 D451 V480 K482	R424-Y449 PolarHBondContact O-N 3.27Å; E425-Y449 WeakPolarHBondContact CA-O 3.11Å; L426-Y449 PolarHBondContact N-O 3.03Å; Y427-Y449 HydrophobicContact CD1-CD1 4.43Å; Y427-Y449 AromaticContact CD1-CE1 3.58Å; Y427-Y449 HydrophobicContact CD1-CE1 3.58Å; Y427-Y449 HydrophobicContact CD2-CD1 4.42Å; Y427-Y449 HydrophobicContact CD2-CE1 4.33Å; Y427-Y449 HydrophobicContact CE1-CD1 4.01Å; Y427-Y449 AromaticContact CE1-CE1 3.16Å; Y427-Y449 HydrophobicContact CE1-CE1 3.16Å; Y427-Y449 HydrophobicContact CE1-CE2 4.39Å; Y427-Y449 AromaticContact CE1-CZ 3.41Å; Y427-Y449 VanDerWaalsContact CE1-CZ 3.41Å; Y427-Y449 WeakPolarHBondContact CE1-OH 3.34Å; Y427-Y449 AromaticContact CE2-CD1 3.99Å; Y427-Y449 HydrophobicContact CE2-CD1 3.99Å; Y427-Y449 AromaticContact CE2-CE1 3.98Å; Y427-Y449 HydrophobicContact CE2-CE1 3.98Å; Y427-Y449 HydrophobicContact CG-CE1 4.14Å; Y427-Y449 AromaticContact CZ-CD1 3.75Å; Y427-Y449 AromaticContact CZ-CE1 3.37Å; Y427-Y449 AromaticContact CZ-CZ 3.72Å; Y449-D451 HydrophobicContact CE1-CB 3.81Å; Y449-V480 WeakPolarHBondContact CA-O 3.19Å; Y449-V480 HydrophobicContact CD2-CB 3.47Å; Y449-V480 VanDerWaalsContact CD2-CB 3.47Å; Y449-V480 HydrophobicContact CD2-CG1 3.55Å; Y449-V480 HydrophobicContact CD2-CG2 3.87Å; Y449-V480 HydrophobicContact CE2-CB 3.95Å; Y449-V480 HydrophobicContact CE2-CG1 3.45Å; Y449-V480 VanDerWaalsContact CE2-CG1 3.45Å; Y449-V480 HydrophobicContact CE2-CG2 4.35Å; Y449-V480 HydrophobicContact CG-CB 4.06Å; Y449-V480 HydrophobicContact CG-CG1 4.28Å; Y449-K482 WeakPolarHBondContact OH-CE 3.38Å; Y449-K482 PolarHBondContact OH-NZ 3.16Å
450	L	95.9	Very high	84.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	123.6	176.8	174.4	61.8	0	0	0	111.1	L440 L452 F471 L478 V480 L481 K482	L440-L450 HydrophobicContact CD1-CD1 3.94Å; L440-L450 HydrophobicContact CD2-CD1 4.12Å; L440-L450 HydrophobicContact CD2-CD2 3.91Å; L450-L452 HydrophobicContact CD1-CD1 4.34Å; L450-L452 HydrophobicContact CD1-CD2 4.42Å; L450-L452 HydrophobicContact CD1-CG 4Å; L450-L452 HydrophobicContact CD2-CD1 4.11Å; L450-L452 HydrophobicContact CG-CD1 4.29Å; L450-L452 HydrophobicContact CG-CG 4.23Å; L450-F471 HydrophobicContact CD2-CZ 4.12Å; L450-L478 HydrophobicContact CB-CD1 4.28Å; L450-L478 HydrophobicContact CB-CD2 3.76Å; L450-L478 HydrophobicContact CD2-CD1 4.25Å; L450-V480 PolarHBondContact N-O 3.02Å; L450-L481 HydrophobicContact CB-CD1 4.41Å; L450-L481 HydrophobicContact CD2-CD1 3.97Å; L450-L481 HydrophobicContact CG-CD1 4.29Å; L450-K482 PolarHBondContact O-N 3.44Å
451	D	95.2	Very high	82.9	Confident	18 Å²	18	49.5 Å²	49.5	10%	0.096	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	112.5	174.2	-166.5	-21.5	0	0	0	111.3	L426 Y427 L428 S429 Y449 S453 K482	L426-D451 PolarHBondContact O-N 2.9Å; L426-D451 VanDerWaalsContact O-N 3.13Å; Y427-D451 HydrophobicContact CD1-CB 4.35Å; L428-D451 CarbonylContact C-O 3.04Å; L428-D451 WeakPolarHBondContact CA-O 3.4Å; L428-D451 WeakPolarHBondContact CB-O 3.44Å; L428-D451 PolarHBondContact N-O 2.83Å; S429-D451 PolarHBondContact N-O 3.09Å; Y449-D451 HydrophobicContact CE1-CB 3.81Å; D451-S453 WeakPolarHBondContact OD1-CB 3.11Å; D451-S453 PolarHBondContact OD1-N 2.95Å; D451-S453 PolarHBondContact OD1-OG 3.25Å; D451-K482 HydrophobicContact CB-CB 4.18Å; D451-K482 HydrophobicContact CB-CD 4.42Å; D451-K482 WeakPolarHBondContact OD2-CD 3.2Å
452	L	93.9	Very high	81.3	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	29%	0.293	C	S	.	.			trans	-111.9	13.1	176	-68.1	166.4	0	0	0	111.9	L428 I436 L440 L450 N455 K482 L483 M486	L428-L452 HydrophobicContact CB-CD2 3.94Å; L428-L452 HydrophobicContact CD1-CD2 3.91Å; I436-L452 HydrophobicContact CD1-CD1 3.95Å; L440-L452 HydrophobicContact CD2-CD1 3.93Å; L440-L452 HydrophobicContact CD2-CD2 4.42Å; L450-L452 HydrophobicContact CD1-CD1 4.34Å; L450-L452 HydrophobicContact CD1-CD2 4.42Å; L450-L452 HydrophobicContact CD1-CG 4Å; L450-L452 HydrophobicContact CD2-CD1 4.11Å; L450-L452 HydrophobicContact CG-CD1 4.29Å; L450-L452 HydrophobicContact CG-CG 4.23Å; L452-N455 WeakPolarHBondContact O-CB 3.36Å; L452-N455 PolarHBondContact O-N 3.23Å; L452-N455 PolarHBondContact O-ND2 3.42Å; L452-K482 PolarHBondContact N-O 2.78Å; L452-L483 HydrophobicContact CB-CD2 4.17Å; L452-L483 HydrophobicContact CD1-CD2 3.98Å; L452-M486 HydrophobicContact CB-CE 3.98Å; L452-M486 HydrophobicContact CB-SD 3.64Å; L452-M486 HydrophobicContact CD1-CE 4.46Å
453	S	93.2	Very high	80.1	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.063	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	154.8	-169.5	-45.6	0	0	0	0	113.4	S429 K430 D451 N455 K482 S484	S429-S453 CarbonylContact C-O 3.44Å; S429-S453 WeakPolarHBondContact CA-O 3.28Å; S429-S453 WeakPolarHBondContact CB-O 3.14Å; K430-S453 PolarHBondContact N-O 2.97Å; D451-S453 WeakPolarHBondContact OD1-CB 3.11Å; D451-S453 PolarHBondContact OD1-N 2.95Å; D451-S453 PolarHBondContact OD1-OG 3.25Å; S453-N455 PolarHBondContact O-N 3.09Å; S453-K482 WeakPolarHBondContact OG-CB 3.43Å; S453-S484 CarbonylContact C-O 3.36Å; S453-S484 VanDerWaalsContact CA-O 3.25Å; S453-S484 WeakPolarHBondContact CA-O 3.24Å; S453-S484 WeakPolarHBondContact CB-OG 3.48Å; S453-S484 PolarHBondContact OG-OG 3.22Å
454	D	90.3	Very high	79.2	Confident	59 Å²	59	62.8 Å²	62.8	32%	0.316	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	5	-174.7	-71.4	-36.2	0	0	0	115.8	K430 K456 S484 S485	K430-D454 HydrophobicContact CB-CB 4.31Å; K430-D454 WeakPolarHBondContact CE-OD2 3.34Å; K430-D454 HydrophobicContact CG-CB 3.49Å; K430-D454 VanDerWaalsContact CG-CB 3.49Å; K430-D454 WeakPolarHBondContact CG-OD2 3.17Å; K430-D454 IonicContact NZ-OD2 3.16Å; D454-K456 VanDerWaalsContact C-N 3.34Å; D454-K456 PolarHBondContact O-N 3.19Å; D454-S484 PolarHBondContact N-O 2.87Å; D454-S485 WeakPolarHBondContact OD1-CB 3.36Å; D454-S485 PolarHBondContact OD1-OG 3.34Å
455	N	88.2	Confident	78.9	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.313	C	S	.	.			trans	-76.2	88.3	162.6	-71.4	-81.3	0	0	0	109.2	L428 N431 Y432 F433 L452 S453 L457 M486	L428-N455 PolarHBondContact O-ND2 3.1Å; N431-N455 VanDerWaalsContact CA-OD1 3.24Å; N431-N455 WeakPolarHBondContact CA-OD1 3.4Å; N431-N455 WeakPolarHBondContact CB-OD1 3.47Å; N431-N455 PolarHBondContact N-OD1 3.25Å; N431-N455 PolarHBondContact O-OD1 3.24Å; Y432-N455 PolarHBondContact N-OD1 2.96Å; F433-N455 HydrophobicContact CB-CB 4.18Å; F433-N455 WeakPolarHBondContact CD2-OD1 3.33Å; F433-N455 PolarHBondContact N-OD1 2.59Å; F433-N455 VanDerWaalsContact N-OD1 3.14Å; L452-N455 WeakPolarHBondContact O-CB 3.36Å; L452-N455 PolarHBondContact O-N 3.23Å; L452-N455 PolarHBondContact O-ND2 3.42Å; S453-N455 PolarHBondContact O-N 3.09Å; N455-L457 HydrophobicContact CB-CD2 4.42Å; N455-L457 PolarHBondContact O-N 3.08Å; N455-M486 WeakPolarHBondContact O-CA 3.28Å
456	K	74.7	Confident	78.8	Confident	149 Å²	149	57.9 Å²	57.9	65%	0.648	30%	0.3	S	S	*	.			trans	-63.1	95.9	176	-64.3	-178.4	-178.9	-176.6	0	109.4	D454 D458	D454-K456 VanDerWaalsContact C-N 3.34Å; D454-K456 PolarHBondContact O-N 3.19Å; K456-D458 PolarHBondContact O-N 3.41Å
457	L	78.9	Confident	78.7	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.021	29%	0.29	C	S	.	.			trans	-66.6	121.1	-179.7	-58.1	-167.5	0	0	0	109.4	F433 R434 N455 G459 V465 M486 N487 L488	F433-L457 VanDerWaalsContact O-CD2 3.26Å; F433-L457 WeakPolarHBondContact O-CD2 3.18Å; R434-L457 WeakPolarHBondContact O-CA 3.19Å; R434-L457 WeakPolarHBondContact O-CB 3.32Å; N455-L457 HydrophobicContact CB-CD2 4.42Å; N455-L457 PolarHBondContact O-N 3.08Å; L457-G459 PolarHBondContact O-N 3.39Å; L457-V465 HydrophobicContact CB-CG1 3.53Å; L457-V465 HydrophobicContact CD1-CG1 3.67Å; L457-V465 HydrophobicContact CG-CG1 4.18Å; L457-M486 WeakPolarHBondContact CB-O 3.5Å; L457-M486 HydrophobicContact CD1-CE 3.72Å; L457-M486 HydrophobicContact CD2-CE 3.8Å; L457-M486 HydrophobicContact CG-CB 4.37Å; L457-M486 HydrophobicContact CG-CE 3.82Å; L457-M486 WeakPolarHBondContact CG-O 3.36Å; L457-M486 PolarHBondContact N-O 3.23Å; L457-N487 WeakPolarHBondContact O-CB 3.37Å; L457-N487 PolarHBondContact O-ND2 3.2Å; L457-L488 HydrophobicContact CD1-CD2 4.37Å
458	D	70.3	Confident	78.4	Confident	77 Å²	77	58.8 Å²	58.8	41%	0.412	31%	0.306	S	S	.	.			trans	-85.6	109.1	172.2	-71.3	-33.3	0	0	0	108	R434 K456	R434-D458 HydrophobicContact CB-CB 4.48Å; R434-D458 HydrophobicContact CG-CB 4.3Å; R434-D458 IonicContact CZ-OD2 3.68Å; R434-D458 IonicContact NE-OD2 3.54Å; R434-D458 PolarHBondContact NE-OD2 3.17Å; R434-D458 IonicContact NH2-OD2 3.16Å; R434-D458 PolarHBondContact NH2-OD2 3.25Å; R434-D458 PolarHBondContact O-N 2.84Å; K456-D458 PolarHBondContact O-N 3.41Å
459	G	58	Low	77.9	Confident	36 Å²	36	63.3 Å²	63.3	37%	0.371	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-66.2	156	162.6	0	0	0	0	0	110.2	L457	L457-G459 PolarHBondContact O-N 3.39Å
460	E	53.7	Low	77.4	Confident	131 Å²	131	67 Å²	67	61%	0.612	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-56.5	155.3	159.7	-63.8	171.9	-134.1	0	0	109.7	D462 K463	E460-D462 PolarHBondContact O-N 2.67Å; E460-K463 HydrophobicContact CB-CB 4.3Å; E460-K463 HydrophobicContact CB-CD 4.05Å; E460-K463 HydrophobicContact CB-CG 4.26Å; E460-K463 HydrophobicContact CG-CD 4.47Å; E460-K463 PolarHBondContact O-N 2.66Å; E460-K463 IonicContact OE1-NZ 3.62Å; E460-K463 PolarHBondContact OE1-NZ 2.65Å; E460-K463 VanDerWaalsContact OE1-NZ 3.12Å; E460-K463 VanDerWaalsContact OE2-CE 3.27Å; E460-K463 WeakPolarHBondContact OE2-CE 3.49Å; E460-K463 IonicContact OE2-NZ 3.53Å; E460-K463 PolarHBondContact OE2-NZ 2.92Å
461	E	48.4	Very low	77.1	Confident	195 Å²	195	67 Å²	67	91%	0.911	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	135.8	177.9	-60.6	-173.9	151.3	0	0	110.3	K463	E461-K463 PolarHBondContact O-N 2.71Å; E461-K463 VanDerWaalsContact O-N 3.17Å
462	D	51.8	Low	76.8	Confident	180 Å²	180	66.1 Å²	66.1	96%	0.963	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	4	-169.3	-66.2	-25.3	0	0	0	118.5	E460	E460-D462 PolarHBondContact O-N 2.67Å
463	K	58.9	Low	76.6	Confident	123 Å²	123	68.3 Å²	68.3	54%	0.535	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-95.9	134.2	175.5	-67.6	-170.9	-172	162.4	0	114.3	E460 E461 V465	E460-K463 HydrophobicContact CB-CB 4.3Å; E460-K463 HydrophobicContact CB-CD 4.05Å; E460-K463 HydrophobicContact CB-CG 4.26Å; E460-K463 HydrophobicContact CG-CD 4.47Å; E460-K463 PolarHBondContact O-N 2.66Å; E460-K463 IonicContact OE1-NZ 3.62Å; E460-K463 PolarHBondContact OE1-NZ 2.65Å; E460-K463 VanDerWaalsContact OE1-NZ 3.12Å; E460-K463 VanDerWaalsContact OE2-CE 3.27Å; E460-K463 WeakPolarHBondContact OE2-CE 3.49Å; E460-K463 IonicContact OE2-NZ 3.53Å; E460-K463 PolarHBondContact OE2-NZ 2.92Å; E461-K463 PolarHBondContact O-N 2.71Å; E461-K463 VanDerWaalsContact O-N 3.17Å; K463-V465 PolarHBondContact O-N 2.85Å
464	S	66.7	Low	76.4	Confident	71 Å²	71	71.4 Å²	71.4	50%	0.497	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-60.7	126.2	169.6	51.5	0	0	0	0	111.7	L466 T489	S464-L466 PolarHBondContact O-N 2.91Å; S464-T489 WeakPolarHBondContact CA-OG1 3.23Å; S464-T489 VanDerWaalsContact CB-OG1 3.24Å; S464-T489 WeakPolarHBondContact CB-OG1 3.31Å
465	V	77.7	Confident	76.5	Confident	12 Å²	12	68.6 Å²	68.6	7%	0.073	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-74.1	121.7	169.6	-175.1	0	0	0	0	109	L457 K463 L488 T489	L457-V465 HydrophobicContact CB-CG1 3.53Å; L457-V465 HydrophobicContact CD1-CG1 3.67Å; L457-V465 HydrophobicContact CG-CG1 4.18Å; K463-V465 PolarHBondContact O-N 2.85Å; V465-L488 HydrophobicContact CG1-CD2 4.06Å; V465-T489 PolarHBondContact N-OG1 3.48Å; V465-T489 VanDerWaalsContact N-OG1 3.17Å; V465-T489 PolarHBondContact O-N 3.34Å; V465-T489 PolarHBondContact O-OG1 3.21Å
466	L	82.5	Confident	76.6	Confident	54 Å²	54	73.1 Å²	73.1	28%	0.283	38%	0.378	S	S	.	.			trans	-137.6	152.4	-174.4	-58	174.9	0	0	0	110.9	S464 C490	S464-L466 PolarHBondContact O-N 2.91Å; L466-C490 WeakPolarHBondContact CD2-O 3.28Å; L466-C490 WeakPolarHBondContact CD2-SG 3.32Å
467	L	88.2	Confident	77.4	Confident	3 Å²	3	71 Å²	71	2%	0.016	37%	0.372	C	S	.	.			trans	-74.2	146.3	164.3	-61.3	176.6	0	0	0	110.3	I436 L483 L488 L491 Q492 V495 L496	I436-L467 HydrophobicContact CD1-CD2 3.82Å; I436-L467 HydrophobicContact CG1-CD2 4.04Å; L467-L483 HydrophobicContact CD1-CD1 3.87Å; L467-L483 HydrophobicContact CD2-CD1 4.34Å; L467-L488 HydrophobicContact CD2-CD1 4.43Å; L467-L488 HydrophobicContact CD2-CD2 4.02Å; L467-L488 HydrophobicContact CG-CD1 4.46Å; L467-L488 HydrophobicContact CG-CD2 4.1Å; L467-L491 HydrophobicContact CD1-CD2 3.93Å; L467-L491 HydrophobicContact CG-CD2 4.46Å; L467-Q492 PolarHBondContact O-NE2 3.1Å; L467-V495 HydrophobicContact CB-CG2 3.74Å; L467-L496 HydrophobicContact CD1-CD2 4.46Å
468	P	88	Confident	78.1	Confident	53 Å²	53	70.8 Å²	70.8	34%	0.344	37%	0.371	S	S	.	.			trans	-61.1	141	172.5	-25.3	37.1	0	0	0	111.9	F441 D470 F471 V495	F441-P468 HydrophobicContact CZ-CB 4.43Å; F441-P468 HydrophobicContact CZ-CG 4.04Å; P468-D470 VanDerWaalsContact C-N 3.26Å; P468-D470 PolarHBondContact O-N 2.82Å; P468-D470 VanDerWaalsContact O-N 3.11Å; P468-F471 VanDerWaalsContact O-CB 3.22Å; P468-F471 WeakPolarHBondContact O-CB 3.24Å; P468-F471 PolarHBondContact O-N 3.22Å; P468-V495 VanDerWaalsContact O-CG2 3.29Å; P468-V495 WeakPolarHBondContact O-CG2 3.42Å
469	K	84.9	Confident	79.4	Confident	139 Å²	139	70.8 Å²	70.8	60%	0.604	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.6	-172.3	-71.1	-174.9	173.2	-176.1	0	114.4	F471 V495	K469-F471 VanDerWaalsContact C-N 3.28Å; K469-F471 PolarHBondContact O-N 3.17Å; K469-V495 WeakPolarHBondContact O-CA 3.2Å
470	D	85.6	Confident	81.2	Confident	91 Å²	91	69.8 Å²	69.8	49%	0.487	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	16.7	-176.6	-29.7	-47.4	0	0	0	113.3	P468 A473 K474	P468-D470 VanDerWaalsContact C-N 3.26Å; P468-D470 PolarHBondContact O-N 2.82Å; P468-D470 VanDerWaalsContact O-N 3.11Å; D470-A473 HydrophobicContact CB-CB 4.5Å; D470-A473 PolarHBondContact O-N 3.13Å; D470-K474 HydrophobicContact CB-CD 4.44Å; D470-K474 WeakPolarHBondContact O-CG 3.43Å; D470-K474 PolarHBondContact O-N 3.14Å; D470-K474 VanDerWaalsContact O-N 3.07Å; D470-K474 IonicContact OD2-NZ 3.99Å
471	F	90.9	Very high	83.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-56.4	-173.1	-173.3	-84	0	0	0	111.5	I436 F441 L450 P468 K469 A473 K474 F475 L481 V495 M499	I436-F471 HydrophobicContact CD1-CE2 4.44Å; I436-F471 HydrophobicContact CG1-CE2 4.5Å; I436-F471 HydrophobicContact CG2-CD2 4.44Å; I436-F471 HydrophobicContact CG2-CE2 4.04Å; F441-F471 AromaticContact CE1-CD2 3.88Å; F441-F471 HydrophobicContact CE1-CD2 3.88Å; F441-F471 HydrophobicContact CE1-CE2 4.41Å; F441-F471 HydrophobicContact CZ-CD2 4.14Å; L450-F471 HydrophobicContact CD2-CZ 4.12Å; P468-F471 VanDerWaalsContact O-CB 3.22Å; P468-F471 WeakPolarHBondContact O-CB 3.24Å; P468-F471 PolarHBondContact O-N 3.22Å; K469-F471 VanDerWaalsContact C-N 3.28Å; K469-F471 PolarHBondContact O-N 3.17Å; F471-A473 VanDerWaalsContact C-N 3.33Å; F471-A473 PolarHBondContact O-N 2.74Å; F471-K474 PolarHBondContact O-N 2.74Å; F471-F475 HydrophobicContact CD1-CD2 4.07Å; F471-F475 HydrophobicContact CD2-CD2 4.19Å; F471-F475 HydrophobicContact CD2-CE2 4.03Å; F471-F475 AromaticContact CE1-CD2 3.85Å; F471-F475 HydrophobicContact CE1-CD2 3.85Å; F471-F475 HydrophobicContact CE1-CE2 4.39Å; F471-F475 AromaticContact CE2-CD2 3.99Å; F471-F475 HydrophobicContact CE2-CD2 3.99Å; F471-F475 AromaticContact CE2-CE2 3.71Å; F471-F475 HydrophobicContact CE2-CE2 3.71Å; F471-F475 HydrophobicContact CG-CD2 4.23Å; F471-F475 AromaticContact CZ-CD2 3.81Å; F471-F475 HydrophobicContact CZ-CD2 3.81Å; F471-F475 AromaticContact CZ-CE2 3.9Å; F471-F475 HydrophobicContact CZ-CE2 3.9Å; F471-F475 WeakPolarHBondContact O-CD2 3.48Å; F471-F475 PolarHBondContact O-N 2.68Å; F471-F475 VanDerWaalsContact O-N 3.15Å; F471-L481 HydrophobicContact CE1-CD1 4.06Å; F471-L481 HydrophobicContact CE1-CD2 3.79Å; F471-L481 HydrophobicContact CZ-CD1 4.13Å; F471-V495 HydrophobicContact CB-CG2 4.47Å; F471-M499 HydrophobicContact CD1-SD 4.49Å; F471-M499 HydrophobicContact CE1-SD 4.48Å
472	G	88.3	Confident	85.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-35.1	177.2	0	0	0	0	0	113.7	K474 F475 V495 C497 M499	G472-K474 PolarHBondContact O-N 2.87Å; G472-F475 PolarHBondContact O-N 2.83Å; G472-V495 PolarHBondContact N-O 3.44Å; G472-C497 CarbonylContact C-O 2.99Å; G472-C497 WeakPolarHBondContact CA-O 3.45Å; G472-M499 VanDerWaalsContact CA-CG 3.44Å
473	A	89	Confident	87.6	Confident	48 Å²	48	47.8 Å²	47.8	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-66.8	-22.6	-179.6	0	0	0	0	0	112.8	D470 F471 Q476 C497	D470-A473 HydrophobicContact CB-CB 4.5Å; D470-A473 PolarHBondContact O-N 3.13Å; F471-A473 VanDerWaalsContact C-N 3.33Å; F471-A473 PolarHBondContact O-N 2.74Å; A473-Q476 WeakPolarHBondContact O-CG 3.47Å; A473-Q476 PolarHBondContact O-NE2 3.14Å; A473-C497 WeakPolarHBondContact CA-O 3.35Å; A473-C497 PolarHBondContact N-O 2.95Å
474	K	89.6	Confident	89.2	Confident	74 Å²	74	42.7 Å²	42.7	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-84.5	-53.3	171.4	-72.9	171.8	-175.8	170.3	0	111.2	F441 H444 D470 F471 G472 Q476	F441-K474 HydrophobicContact CB-CD 4.43Å; F441-K474 HydrophobicContact CD1-CB 4.49Å; F441-K474 HydrophobicContact CD1-CD 3.6Å; F441-K474 HydrophobicContact CE1-CD 4.18Å; F441-K474 HydrophobicContact CG-CD 4.23Å; H444-K474 HydrophobicContact CB-CB 3.91Å; H444-K474 WeakPolarHBondContact CB-O 3.34Å; D470-K474 HydrophobicContact CB-CD 4.44Å; D470-K474 WeakPolarHBondContact O-CG 3.43Å; D470-K474 PolarHBondContact O-N 3.14Å; D470-K474 VanDerWaalsContact O-N 3.07Å; D470-K474 IonicContact OD2-NZ 3.99Å; F471-K474 PolarHBondContact O-N 2.74Å; G472-K474 PolarHBondContact O-N 2.87Å; K474-Q476 PolarHBondContact O-N 2.97Å
475	F	91.2	Very high	90.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.			trans	-84.1	52.6	-170.6	-68	-67.2	0	0	0	114.2	L440 F441 H444 L447 F471 G472 M477 L478	L440-F475 HydrophobicContact CD2-CZ 4.34Å; L440-F475 HydrophobicContact CG-CZ 3.93Å; F441-F475 AromaticContact CD1-CE2 3.54Å; F441-F475 HydrophobicContact CD1-CE2 3.54Å; F441-F475 AromaticContact CD1-CZ 3.78Å; F441-F475 HydrophobicContact CD1-CZ 3.78Å; F441-F475 HydrophobicContact CE1-CD2 4.49Å; F441-F475 AromaticContact CE1-CE2 3.59Å; F441-F475 HydrophobicContact CE1-CE2 3.59Å; F441-F475 HydrophobicContact CE1-CZ 4.23Å; H444-F475 HydrophobicContact CB-CD1 4.18Å; H444-F475 HydrophobicContact CB-CE1 4.17Å; L447-F475 HydrophobicContact CD1-CE1 4.22Å; F471-F475 HydrophobicContact CD1-CD2 4.07Å; F471-F475 HydrophobicContact CD2-CD2 4.19Å; F471-F475 HydrophobicContact CD2-CE2 4.03Å; F471-F475 AromaticContact CE1-CD2 3.85Å; F471-F475 HydrophobicContact CE1-CD2 3.85Å; F471-F475 HydrophobicContact CE1-CE2 4.39Å; F471-F475 AromaticContact CE2-CD2 3.99Å; F471-F475 HydrophobicContact CE2-CD2 3.99Å; F471-F475 AromaticContact CE2-CE2 3.71Å; F471-F475 HydrophobicContact CE2-CE2 3.71Å; F471-F475 HydrophobicContact CG-CD2 4.23Å; F471-F475 AromaticContact CZ-CD2 3.81Å; F471-F475 HydrophobicContact CZ-CD2 3.81Å; F471-F475 AromaticContact CZ-CE2 3.9Å; F471-F475 HydrophobicContact CZ-CE2 3.9Å; F471-F475 WeakPolarHBondContact O-CD2 3.48Å; F471-F475 PolarHBondContact O-N 2.68Å; F471-F475 VanDerWaalsContact O-N 3.15Å; G472-F475 PolarHBondContact O-N 2.83Å; F475-M477 PolarHBondContact O-N 3.23Å; F475-M477 VanDerWaalsContact O-N 3.15Å; F475-L478 HydrophobicContact CB-CD1 3.54Å; F475-L478 HydrophobicContact CB-CG 3.86Å; F475-L478 HydrophobicContact CD1-CD1 4.4Å; F475-L478 HydrophobicContact CG-CD1 3.97Å; F475-L478 HydrophobicContact CG-CG 4.49Å; F475-L478 PolarHBondContact O-N 3.45Å
476	Q	90.4	Very high	91	Very high	96 Å²	96	39.7 Å²	39.7	45%	0.449	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.6	-172.5	-59.2	178.1	17.9	0	0	114.3	A473 K474	A473-Q476 WeakPolarHBondContact O-CG 3.47Å; A473-Q476 PolarHBondContact O-NE2 3.14Å; K474-Q476 PolarHBondContact O-N 2.97Å
477	M	91.5	Very high	91.4	Very high	104 Å²	104	39 Å²	39	51%	0.512	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-4.7	179.7	-61.7	-69.3	92	0	0	114.1	L447 E448 F475 K479	L447-M477 CarbonylContact O-C 3.2Å; L447-M477 WeakPolarHBondContact O-CB 3.44Å; E448-M477 WeakPolarHBondContact CA-O 3.25Å; F475-M477 PolarHBondContact O-N 3.23Å; F475-M477 VanDerWaalsContact O-N 3.15Å; M477-K479 PolarHBondContact O-N 3.12Å
478	L	95.1	Very high	91.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.			trans	-67.5	128.1	-178.6	-79.7	179.5	0	0	0	111.9	L447 L450 F475 L481 M499 G501 L502	L447-L478 HydrophobicContact CB-CD2 3.92Å; L447-L478 PolarHBondContact O-N 3Å; L450-L478 HydrophobicContact CB-CD1 4.28Å; L450-L478 HydrophobicContact CB-CD2 3.76Å; L450-L478 HydrophobicContact CD2-CD1 4.25Å; F475-L478 HydrophobicContact CB-CD1 3.54Å; F475-L478 HydrophobicContact CB-CG 3.86Å; F475-L478 HydrophobicContact CD1-CD1 4.4Å; F475-L478 HydrophobicContact CG-CD1 3.97Å; F475-L478 HydrophobicContact CG-CG 4.49Å; F475-L478 PolarHBondContact O-N 3.45Å; L478-L481 HydrophobicContact CD1-CB 4.43Å; L478-L481 HydrophobicContact CD1-CD1 4.12Å; L478-M499 HydrophobicContact CD1-SD 4.32Å; L478-G501 CarbonylContact O-C 3.24Å; L478-L502 HydrophobicContact CB-CD1 3.99Å; L478-L502 VanDerWaalsContact O-CA 3.31Å; L478-L502 WeakPolarHBondContact O-CA 3.2Å; L478-L502 WeakPolarHBondContact O-CD1 3.4Å; L478-L502 PolarHBondContact O-N 3.16Å
479	K	96.2	Very high	91.4	Very high	76 Å²	76	38.1 Å²	38.1	33%	0.33	19%	0.194	S	C	.	.	S	Bend	trans	-98.4	-37.6	166.4	-69.4	172.7	171.8	164.9	0	111.9	E448 M477 L502 E503 L504	E448-K479 HydrophobicContact CB-CD 4.46Å; E448-K479 HydrophobicContact CG-CD 4.47Å; E448-K479 PolarHBondContact O-N 2.97Å; E448-K479 WeakPolarHBondContact OE2-CD 3.43Å; E448-K479 WeakPolarHBondContact OE2-CE 3.14Å; E448-K479 IonicContact OE2-NZ 2.68Å; E448-K479 PolarHBondContact OE2-NZ 2.94Å; M477-K479 PolarHBondContact O-N 3.12Å; K479-L502 WeakPolarHBondContact O-CD1 3.37Å; K479-E503 HydrophobicContact CB-CB 4.47Å; K479-E503 HydrophobicContact CB-CG 4.25Å; K479-E503 VanDerWaalsContact CD-OE1 3.25Å; K479-E503 WeakPolarHBondContact CD-OE1 3.3Å; K479-E503 WeakPolarHBondContact CE-OE1 3.39Å; K479-E503 HydrophobicContact CG-CG 4.36Å; K479-E503 WeakPolarHBondContact CG-OE1 3.38Å; K479-E503 WeakPolarHBondContact O-CA 3.03Å; K479-E503 PolarHBondContact O-N 3.13Å; K479-L504 PolarHBondContact O-N 3.28Å
480	V	96.8	Very high	91.5	Very high	16 Å²	16	33.4 Å²	33.4	10%	0.097	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.2	-177.3	-178.2	0	0	0	0	110.5	E448 Y449 L450 K482 L504	E448-V480 PolarHBondContact O-N 2.95Å; Y449-V480 WeakPolarHBondContact CA-O 3.19Å; Y449-V480 HydrophobicContact CD2-CB 3.47Å; Y449-V480 VanDerWaalsContact CD2-CB 3.47Å; Y449-V480 HydrophobicContact CD2-CG1 3.55Å; Y449-V480 HydrophobicContact CD2-CG2 3.87Å; Y449-V480 HydrophobicContact CE2-CB 3.95Å; Y449-V480 HydrophobicContact CE2-CG1 3.45Å; Y449-V480 VanDerWaalsContact CE2-CG1 3.45Å; Y449-V480 HydrophobicContact CE2-CG2 4.35Å; Y449-V480 HydrophobicContact CG-CB 4.06Å; Y449-V480 HydrophobicContact CG-CG1 4.28Å; L450-V480 PolarHBondContact N-O 3.02Å; V480-K482 HydrophobicContact CG1-CG 4.21Å; V480-L504 HydrophobicContact CG1-CB 4.25Å; V480-L504 HydrophobicContact CG1-CD2 4.06Å; V480-L504 HydrophobicContact CG2-CB 4.23Å
481	L	96.8	Very high	91.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	112.7	178.6	177.9	56.8	0	0	0	110.2	L450 F471 L478 L483 M499 L502 L504 L505 D506	L450-L481 HydrophobicContact CB-CD1 4.41Å; L450-L481 HydrophobicContact CD2-CD1 3.97Å; L450-L481 HydrophobicContact CG-CD1 4.29Å; F471-L481 HydrophobicContact CE1-CD1 4.06Å; F471-L481 HydrophobicContact CE1-CD2 3.79Å; F471-L481 HydrophobicContact CZ-CD1 4.13Å; L478-L481 HydrophobicContact CD1-CB 4.43Å; L478-L481 HydrophobicContact CD1-CD1 4.12Å; L481-L483 HydrophobicContact CD1-CD1 4.01Å; L481-L483 HydrophobicContact CD1-CD2 3.88Å; L481-L483 HydrophobicContact CD1-CG 3.8Å; L481-L483 HydrophobicContact CD2-CD1 3.94Å; L481-L483 HydrophobicContact CG-CD1 3.85Å; L481-L483 HydrophobicContact CG-CG 3.92Å; L481-M499 HydrophobicContact CD2-CE 3.76Å; L481-M499 HydrophobicContact CD2-SD 3.84Å; L481-L502 HydrophobicContact CB-CD1 3.74Å; L481-L502 HydrophobicContact CB-CD2 4.41Å; L481-L504 PolarHBondContact N-O 2.89Å; L481-L505 HydrophobicContact CB-CD1 4.17Å; L481-L505 HydrophobicContact CD2-CD1 3.97Å; L481-L505 HydrophobicContact CG-CD1 4.02Å; L481-L505 WeakPolarHBondContact O-CA 3.49Å; L481-D506 PolarHBondContact O-N 3.39Å
482	K	96.3	Very high	91.6	Very high	44 Å²	44	32 Å²	32	19%	0.191	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.6	177.9	-60.6	179.6	174.3	174	0	111.3	Y449 L450 D451 L452 S453 V480 L504 D506	Y449-K482 WeakPolarHBondContact OH-CE 3.38Å; Y449-K482 PolarHBondContact OH-NZ 3.16Å; L450-K482 PolarHBondContact O-N 3.44Å; D451-K482 HydrophobicContact CB-CB 4.18Å; D451-K482 HydrophobicContact CB-CD 4.42Å; D451-K482 WeakPolarHBondContact OD2-CD 3.2Å; L452-K482 PolarHBondContact N-O 2.78Å; S453-K482 WeakPolarHBondContact OG-CB 3.43Å; V480-K482 HydrophobicContact CG1-CG 4.21Å; K482-L504 HydrophobicContact CG-CD2 4.24Å; K482-D506 HydrophobicContact CB-CB 4.36Å; K482-D506 HydrophobicContact CG-CB 4.14Å
483	L	95.1	Very high	91.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.			trans	-134.9	26.7	-171.8	-60.5	174.2	0	0	0	111.4	L452 L467 L481 M486 L488 D506 L507 N510	L452-L483 HydrophobicContact CB-CD2 4.17Å; L452-L483 HydrophobicContact CD1-CD2 3.98Å; L467-L483 HydrophobicContact CD1-CD1 3.87Å; L467-L483 HydrophobicContact CD2-CD1 4.34Å; L481-L483 HydrophobicContact CD1-CD1 4.01Å; L481-L483 HydrophobicContact CD1-CD2 3.88Å; L481-L483 HydrophobicContact CD1-CG 3.8Å; L481-L483 HydrophobicContact CD2-CD1 3.94Å; L481-L483 HydrophobicContact CG-CD1 3.85Å; L481-L483 HydrophobicContact CG-CG 3.92Å; L483-M486 WeakPolarHBondContact CA-SD 2.86Å; L483-M486 HydrophobicContact CB-SD 3.72Å; L483-M486 HydrophobicContact CD2-CE 4.21Å; L483-M486 HydrophobicContact CD2-SD 3.45Å; L483-M486 WeakPolarHBondContact CD2-SD 3.06Å; L483-M486 HydrophobicContact CG-SD 4.2Å; L483-M486 WeakPolarHBondContact O-CB 3.5Å; L483-M486 WeakPolarHBondContact O-CG 3.43Å; L483-L488 HydrophobicContact CB-CD1 4.33Å; L483-D506 CarbonylContact C-O 3.45Å; L483-D506 WeakPolarHBondContact CA-O 3.27Å; L483-D506 PolarHBondContact N-O 2.78Å; L483-L507 HydrophobicContact CB-CD2 3.82Å; L483-L507 HydrophobicContact CD1-CD2 3.9Å; L483-N510 PolarHBondContact O-ND2 3.36Å
484	S	93.2	Very high	91.5	Very high	15 Å²	15	35.7 Å²	35.7	11%	0.105	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	153.3	-176.1	46.8	0	0	0	0	113.2	S453 D454 M486 D506 S508	S453-S484 CarbonylContact C-O 3.36Å; S453-S484 VanDerWaalsContact CA-O 3.25Å; S453-S484 WeakPolarHBondContact CA-O 3.24Å; S453-S484 WeakPolarHBondContact CB-OG 3.48Å; S453-S484 PolarHBondContact OG-OG 3.22Å; D454-S484 PolarHBondContact N-O 2.87Å; S484-M486 PolarHBondContact O-N 3.39Å; S484-M486 VanDerWaalsContact O-N 3.09Å; S484-D506 WeakPolarHBondContact CB-OD2 3.41Å; S484-D506 PolarHBondContact OG-OD2 2.88Å; S484-S508 CarbonylContact C-O 3.35Å; S484-S508 WeakPolarHBondContact CA-O 3.48Å; S484-S508 WeakPolarHBondContact CB-O 3.18Å; S484-S508 VanDerWaalsContact CB-OG 3.25Å; S484-S508 WeakPolarHBondContact CB-OG 3.29Å
485	S	91.3	Very high	91.6	Very high	20 Å²	20	32.2 Å²	32.2	14%	0.14	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	14.8	-174.9	-58.8	0	0	0	0	115.5	D454 N487 S508 R509	D454-S485 WeakPolarHBondContact OD1-CB 3.36Å; D454-S485 PolarHBondContact OD1-OG 3.34Å; S485-N487 VanDerWaalsContact C-N 3.3Å; S485-N487 PolarHBondContact O-N 2.79Å; S485-S508 PolarHBondContact N-O 3.23Å; S485-R509 WeakPolarHBondContact CA-O 3.5Å
486	M	90.9	Very high	91.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.175	C	C	.	.	S	Bend	trans	-82.7	9.9	-173.3	-72.1	-170.8	66.7	0	0	115.7	I436 L452 N455 L457 L483 S484 L488 N510	I436-M486 HydrophobicContact CD1-CE 3.78Å; L452-M486 HydrophobicContact CB-CE 3.98Å; L452-M486 HydrophobicContact CB-SD 3.64Å; L452-M486 HydrophobicContact CD1-CE 4.46Å; N455-M486 WeakPolarHBondContact O-CA 3.28Å; L457-M486 WeakPolarHBondContact CB-O 3.5Å; L457-M486 HydrophobicContact CD1-CE 3.72Å; L457-M486 HydrophobicContact CD2-CE 3.8Å; L457-M486 HydrophobicContact CG-CB 4.37Å; L457-M486 HydrophobicContact CG-CE 3.82Å; L457-M486 WeakPolarHBondContact CG-O 3.36Å; L457-M486 PolarHBondContact N-O 3.23Å; L483-M486 WeakPolarHBondContact CA-SD 2.86Å; L483-M486 HydrophobicContact CB-SD 3.72Å; L483-M486 HydrophobicContact CD2-CE 4.21Å; L483-M486 HydrophobicContact CD2-SD 3.45Å; L483-M486 WeakPolarHBondContact CD2-SD 3.06Å; L483-M486 HydrophobicContact CG-SD 4.2Å; L483-M486 WeakPolarHBondContact O-CB 3.5Å; L483-M486 WeakPolarHBondContact O-CG 3.43Å; S484-M486 PolarHBondContact O-N 3.39Å; S484-M486 VanDerWaalsContact O-N 3.09Å; M486-L488 HydrophobicContact CB-CD1 4.36Å; M486-L488 HydrophobicContact CB-CG 4.12Å; M486-L488 PolarHBondContact O-N 3.16Å; M486-L488 VanDerWaalsContact O-N 3.12Å; M486-N510 WeakPolarHBondContact CA-OD1 3.4Å; M486-N510 PolarHBondContact N-OD1 3.43Å
487	N	89.2	Confident	91.5	Very high	38 Å²	38	30 Å²	30	20%	0.203	17%	0.169	C	C	.	.			trans	63.4	10.4	178.8	-162.5	35.5	0	0	0	115.2	L457 S485 N510 K511	L457-N487 WeakPolarHBondContact O-CB 3.37Å; L457-N487 PolarHBondContact O-ND2 3.2Å; S485-N487 VanDerWaalsContact C-N 3.3Å; S485-N487 PolarHBondContact O-N 2.79Å; N487-N510 PolarHBondContact N-OD1 3.23Å; N487-K511 WeakPolarHBondContact OD1-CD 3.42Å; N487-K511 WeakPolarHBondContact OD1-CE 3.47Å; N487-K511 PolarHBondContact OD1-NZ 3.28Å
488	L	90	Very high	91.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.157	C	C	.	.			trans	-57.5	136.2	-178.5	-65.1	169.6	0	0	0	111.6	L457 V465 L467 L483 M486 L507 N510 K511 I512	L457-L488 HydrophobicContact CD1-CD2 4.37Å; V465-L488 HydrophobicContact CG1-CD2 4.06Å; L467-L488 HydrophobicContact CD2-CD1 4.43Å; L467-L488 HydrophobicContact CD2-CD2 4.02Å; L467-L488 HydrophobicContact CG-CD1 4.46Å; L467-L488 HydrophobicContact CG-CD2 4.1Å; L483-L488 HydrophobicContact CB-CD1 4.33Å; M486-L488 HydrophobicContact CB-CD1 4.36Å; M486-L488 HydrophobicContact CB-CG 4.12Å; M486-L488 PolarHBondContact O-N 3.16Å; M486-L488 VanDerWaalsContact O-N 3.12Å; L488-L507 HydrophobicContact CD1-CD2 3.64Å; L488-N510 HydrophobicContact CB-CB 4.13Å; L488-N510 WeakPolarHBondContact CB-OD1 3.18Å; L488-N510 PolarHBondContact N-OD1 3.34Å; L488-K511 CarbonylContact O-C 3.39Å; L488-K511 VanDerWaalsContact O-CA 3.29Å; L488-K511 WeakPolarHBondContact O-CA 3.47Å; L488-K511 WeakPolarHBondContact O-CB 3.3Å; L488-K511 PolarHBondContact O-N 2.84Å; L488-I512 HydrophobicContact CB-CD1 4.46Å; L488-I512 HydrophobicContact CB-CG1 4.25Å; L488-I512 PolarHBondContact O-N 2.92Å
489	T	87.6	Confident	91.2	Very high	38 Å²	38	26.3 Å²	26.3	23%	0.233	16%	0.157	C	C	.	.			trans	-106.2	-31.8	-170.5	52.6	0	0	0	0	114.6	S464 V465 K511 I512 S513	S464-T489 WeakPolarHBondContact CA-OG1 3.23Å; S464-T489 VanDerWaalsContact CB-OG1 3.24Å; S464-T489 WeakPolarHBondContact CB-OG1 3.31Å; V465-T489 PolarHBondContact N-OG1 3.48Å; V465-T489 VanDerWaalsContact N-OG1 3.17Å; V465-T489 PolarHBondContact O-N 3.34Å; V465-T489 PolarHBondContact O-OG1 3.21Å; T489-K511 HydrophobicContact CG2-CB 4.28Å; T489-K511 HydrophobicContact CG2-CD 4.48Å; T489-I512 WeakPolarHBondContact O-CA 3.46Å; T489-S513 PolarHBondContact O-N 2.8Å
490	C	87.5	Confident	90.9	Very high	40 Å²	40	27.5 Å²	27.5	27%	0.27	17%	0.166	S	C	.	.			trans	-155.7	174.9	160.9	68.5	0	0	0	0	109.9	L466	L466-C490 WeakPolarHBondContact CD2-O 3.28Å; L466-C490 WeakPolarHBondContact CD2-SG 3.32Å
491	L	89.2	Confident	90.7	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.052	17%	0.173	C	C	.	.			trans	-111.9	136.5	169.6	-63.8	172.3	0	0	0	108	L467 V495 L496 L507 I512 L515 P516	L467-L491 HydrophobicContact CD1-CD2 3.93Å; L467-L491 HydrophobicContact CG-CD2 4.46Å; L491-V495 HydrophobicContact CB-CG1 4.11Å; L491-V495 HydrophobicContact CD2-CG1 4.27Å; L491-L496 HydrophobicContact CD1-CD1 4.3Å; L491-L507 HydrophobicContact CD1-CD1 3.74Å; L491-I512 HydrophobicContact CD1-CD1 4.45Å; L491-I512 HydrophobicContact CG-CD1 4.38Å; L491-L515 HydrophobicContact CD1-CD2 4.37Å; L491-P516 HydrophobicContact CB-CG 4.21Å
492	Q	88.3	Confident	90.7	Very high	53 Å²	53	27.9 Å²	27.9	25%	0.248	17%	0.173	C	C	.	.			trans	-86	143.5	179.1	-63.3	174.2	75.6	0	0	109.7	L467 G494 V495	L467-Q492 PolarHBondContact O-NE2 3.1Å; Q492-G494 PolarHBondContact O-N 3.46Å; Q492-V495 HydrophobicContact CB-CB 4.33Å; Q492-V495 WeakPolarHBondContact O-CB 3.32Å; Q492-V495 WeakPolarHBondContact O-CG1 3.38Å; Q492-V495 PolarHBondContact O-N 3.36Å
493	N	88.6	Confident	90.7	Very high	95 Å²	95	29.7 Å²	29.7	51%	0.508	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	137.6	170.7	-67	15.1	0	0	0	109.9	P516 D517 D518	N493-P516 VanDerWaalsContact OD1-CA 3.22Å; N493-P516 WeakPolarHBondContact OD1-CA 3.47Å; N493-P516 VanDerWaalsContact OD1-CB 3.31Å; N493-P516 WeakPolarHBondContact OD1-CB 3.4Å; N493-D517 PolarHBondContact ND2-OD2 3.27Å; N493-D517 PolarHBondContact OD1-N 3.4Å; N493-D518 WeakPolarHBondContact CA-OD1 3.25Å; N493-D518 VanDerWaalsContact CB-OD1 3.25Å; N493-D518 WeakPolarHBondContact CB-OD1 3.46Å
494	G	87.7	Confident	90.8	Very high	30 Å²	30	31.1 Å²	31.1	31%	0.309	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-13.6	-171.5	0	0	0	0	0	115.6	Q492 L496 C497 D518	Q492-G494 PolarHBondContact O-N 3.46Å; G494-L496 VanDerWaalsContact C-N 3.26Å; G494-L496 PolarHBondContact O-N 2.9Å; G494-C497 WeakPolarHBondContact O-CB 3.49Å; G494-C497 PolarHBondContact O-N 3.01Å; G494-D518 WeakPolarHBondContact CA-OD2 3.48Å; G494-D518 VanDerWaalsContact N-CG 3.26Å; G494-D518 PolarHBondContact N-OD1 3.07Å; G494-D518 PolarHBondContact N-OD2 2.92Å
495	V	91.8	Very high	91	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	19%	0.185	C	C	.	.	S	Bend	trans	-69.3	-22.5	-169.8	82.4	0	0	0	0	114.4	L467 P468 K469 F471 G472 L491 Q492	L467-V495 HydrophobicContact CB-CG2 3.74Å; P468-V495 VanDerWaalsContact O-CG2 3.29Å; P468-V495 WeakPolarHBondContact O-CG2 3.42Å; K469-V495 WeakPolarHBondContact O-CA 3.2Å; F471-V495 HydrophobicContact CB-CG2 4.47Å; G472-V495 PolarHBondContact N-O 3.44Å; L491-V495 HydrophobicContact CB-CG1 4.11Å; L491-V495 HydrophobicContact CD2-CG1 4.27Å; Q492-V495 HydrophobicContact CB-CB 4.33Å; Q492-V495 WeakPolarHBondContact O-CB 3.32Å; Q492-V495 WeakPolarHBondContact O-CG1 3.38Å; Q492-V495 PolarHBondContact O-N 3.36Å
496	L	91.5	Very high	91.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-106.7	-9.9	178.6	-52.2	179.9	0	0	0	113	L467 L491 G494 G498 M499 L505 P516 I519 L522	L467-L496 HydrophobicContact CD1-CD2 4.46Å; L491-L496 HydrophobicContact CD1-CD1 4.3Å; G494-L496 VanDerWaalsContact C-N 3.26Å; G494-L496 PolarHBondContact O-N 2.9Å; L496-G498 PolarHBondContact O-N 3.47Å; L496-M499 HydrophobicContact CB-CE 3.9Å; L496-M499 HydrophobicContact CD2-CE 3.67Å; L496-M499 HydrophobicContact CG-CE 4.34Å; L496-M499 PolarHBondContact O-N 2.97Å; L496-L505 HydrophobicContact CD1-CD2 4.11Å; L496-P516 HydrophobicContact CD1-CG 4.49Å; L496-I519 HydrophobicContact CD1-CD1 3.69Å; L496-L522 HydrophobicContact CB-CD2 4.29Å; L496-L522 HydrophobicContact CD1-CD1 4.15Å
497	C	87.5	Confident	91.5	Very high	49 Å²	49	30.4 Å²	30.4	33%	0.331	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	134.3	177.8	-88.4	0	0	0	0	110.6	G472 A473 G494 D518	G472-C497 CarbonylContact C-O 2.99Å; G472-C497 WeakPolarHBondContact CA-O 3.45Å; A473-C497 WeakPolarHBondContact CA-O 3.35Å; A473-C497 PolarHBondContact N-O 2.95Å; G494-C497 WeakPolarHBondContact O-CB 3.49Å; G494-C497 PolarHBondContact O-N 3.01Å; C497-D518 PolarHBondContact SG-OD2 3.1Å
498	G	86.8	Confident	91.7	Very high	25 Å²	25	29.3 Å²	29.3	26%	0.258	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.7	-23.6	-179.5	0	0	0	0	0	114.6	L496 I500	L496-G498 PolarHBondContact O-N 3.47Å; G498-I500 PolarHBondContact O-N 3.39Å
499	M	92.1	Very high	91.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.			trans	-81.6	56	174.5	-54.3	-171.6	-62.1	0	0	111.4	F471 G472 L478 L481 L496 G501 L502 L522	F471-M499 HydrophobicContact CD1-SD 4.49Å; F471-M499 HydrophobicContact CE1-SD 4.48Å; G472-M499 VanDerWaalsContact CA-CG 3.44Å; L478-M499 HydrophobicContact CD1-SD 4.32Å; L481-M499 HydrophobicContact CD2-CE 3.76Å; L481-M499 HydrophobicContact CD2-SD 3.84Å; L496-M499 HydrophobicContact CB-CE 3.9Å; L496-M499 HydrophobicContact CD2-CE 3.67Å; L496-M499 HydrophobicContact CG-CE 4.34Å; L496-M499 PolarHBondContact O-N 2.97Å; M499-G501 PolarHBondContact O-N 2.93Å; M499-L502 HydrophobicContact CB-CB 4.09Å; M499-L502 HydrophobicContact CE-CD2 4.03Å; M499-L502 WeakPolarHBondContact O-CB 3.39Å; M499-L502 PolarHBondContact O-N 2.65Å; M499-L502 VanDerWaalsContact O-N 3.16Å; M499-L522 HydrophobicContact CB-CD2 3.99Å; M499-L522 HydrophobicContact CE-CD2 4.3Å; M499-L522 WeakPolarHBondContact O-CD2 3.21Å
500	I	90.5	Very high	92.1	Very high	101 Å²	101	33.6 Å²	33.6	52%	0.518	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.7	-172.1	57.8	175.1	0	0	0	113.2	G498 I523 S524	G498-I500 PolarHBondContact O-N 3.39Å; I500-I523 HydrophobicContact CB-CG1 4.47Å; I500-I523 WeakPolarHBondContact O-CG1 3.44Å; I500-S524 PolarHBondContact O-OG 3.12Å
501	G	92.9	Very high	92.3	Very high	25 Å²	25	36.1 Å²	36.1	26%	0.258	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	16.7	177.5	0	0	0	0	0	114.9	L478 M499 E503	L478-G501 CarbonylContact O-C 3.24Å; M499-G501 PolarHBondContact O-N 2.93Å; G501-E503 PolarHBondContact O-N 2.64Å
502	L	96.3	Very high	92.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.			trans	-72.3	116.6	179.3	-165.6	75.9	0	0	0	110.7	L478 K479 L481 M499 L505 L522 S524 L525	L478-L502 HydrophobicContact CB-CD1 3.99Å; L478-L502 VanDerWaalsContact O-CA 3.31Å; L478-L502 WeakPolarHBondContact O-CA 3.2Å; L478-L502 WeakPolarHBondContact O-CD1 3.4Å; L478-L502 PolarHBondContact O-N 3.16Å; K479-L502 WeakPolarHBondContact O-CD1 3.37Å; L481-L502 HydrophobicContact CB-CD1 3.74Å; L481-L502 HydrophobicContact CB-CD2 4.41Å; M499-L502 HydrophobicContact CB-CB 4.09Å; M499-L502 HydrophobicContact CE-CD2 4.03Å; M499-L502 WeakPolarHBondContact O-CB 3.39Å; M499-L502 PolarHBondContact O-N 2.65Å; M499-L502 VanDerWaalsContact O-N 3.16Å; L502-L505 HydrophobicContact CD2-CB 3.92Å; L502-L505 HydrophobicContact CD2-CD1 4.29Å; L502-L505 HydrophobicContact CD2-CD2 4.3Å; L502-L505 HydrophobicContact CD2-CG 4.4Å; L502-L522 HydrophobicContact CB-CD2 4.25Å; L502-L522 HydrophobicContact CD2-CD1 4.21Å; L502-L522 HydrophobicContact CD2-CD2 4.15Å; L502-S524 CarbonylContact O-C 3.19Å; L502-L525 HydrophobicContact CD2-CD1 4.11Å; L502-L525 HydrophobicContact CG-CD1 4.16Å; L502-L525 WeakPolarHBondContact O-CA 3.34Å; L502-L525 PolarHBondContact O-N 3.11Å; L502-L525 VanDerWaalsContact O-N 3.13Å
503	E	96.8	Very high	92.7	Very high	82 Å²	82	35.4 Å²	35.4	38%	0.383	20%	0.199	S	C	.	.			trans	-92.1	-36.9	-179	-64.4	163.1	-167.3	0	0	111.8	K479 G501 E526 E527	K479-E503 HydrophobicContact CB-CB 4.47Å; K479-E503 HydrophobicContact CB-CG 4.25Å; K479-E503 VanDerWaalsContact CD-OE1 3.25Å; K479-E503 WeakPolarHBondContact CD-OE1 3.3Å; K479-E503 WeakPolarHBondContact CE-OE1 3.39Å; K479-E503 HydrophobicContact CG-CG 4.36Å; K479-E503 WeakPolarHBondContact CG-OE1 3.38Å; K479-E503 WeakPolarHBondContact O-CA 3.03Å; K479-E503 PolarHBondContact O-N 3.13Å; G501-E503 PolarHBondContact O-N 2.64Å; E503-E526 PolarHBondContact O-N 2.91Å; E503-E527 PolarHBondContact O-N 3.36Å
504	L	97	Very high	92.8	Very high	30 Å²	30	36.6 Å²	36.6	16%	0.157	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.1	-179.1	-170.1	156.1	0	0	0	112.5	K479 V480 L481 K482 D506 E527 F529	K479-L504 PolarHBondContact O-N 3.28Å; V480-L504 HydrophobicContact CG1-CB 4.25Å; V480-L504 HydrophobicContact CG1-CD2 4.06Å; V480-L504 HydrophobicContact CG2-CB 4.23Å; L481-L504 PolarHBondContact N-O 2.89Å; K482-L504 HydrophobicContact CG-CD2 4.24Å; L504-D506 HydrophobicContact CD2-CB 4.31Å; L504-E527 WeakPolarHBondContact CA-O 3.45Å; L504-E527 HydrophobicContact CB-CB 4.48Å; L504-E527 HydrophobicContact CD1-CB 4.19Å; L504-E527 HydrophobicContact CG-CB 4.02Å; L504-F529 HydrophobicContact CD1-CE2 4.11Å; L504-F529 HydrophobicContact CD2-CD2 4.4Å; L504-F529 HydrophobicContact CD2-CE2 4.35Å; L504-F529 HydrophobicContact CG-CE2 4.13Å
505	L	97.3	Very high	93.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	113.5	173.7	-178.3	53.4	0	0	0	111.1	L481 L496 L502 L507 L522 L525 E527 F528 F529	L481-L505 HydrophobicContact CB-CD1 4.17Å; L481-L505 HydrophobicContact CD2-CD1 3.97Å; L481-L505 HydrophobicContact CG-CD1 4.02Å; L481-L505 WeakPolarHBondContact O-CA 3.49Å; L496-L505 HydrophobicContact CD1-CD2 4.11Å; L502-L505 HydrophobicContact CD2-CB 3.92Å; L502-L505 HydrophobicContact CD2-CD1 4.29Å; L502-L505 HydrophobicContact CD2-CD2 4.3Å; L502-L505 HydrophobicContact CD2-CG 4.4Å; L505-L507 HydrophobicContact CD1-CD1 3.89Å; L505-L507 HydrophobicContact CD1-CG 3.98Å; L505-L507 HydrophobicContact CD2-CD1 3.82Å; L505-L507 HydrophobicContact CG-CD1 3.81Å; L505-L507 HydrophobicContact CG-CG 4.21Å; L505-L522 HydrophobicContact CD2-CD1 3.87Å; L505-L525 HydrophobicContact CB-CD1 3.81Å; L505-L525 HydrophobicContact CB-CD2 4.48Å; L505-E527 PolarHBondContact N-O 3.1Å; L505-F528 HydrophobicContact CB-CD2 4.07Å; L505-F528 HydrophobicContact CB-CE2 4.37Å; L505-F528 HydrophobicContact CD2-CD2 4.14Å; L505-F528 HydrophobicContact CD2-CE2 3.61Å; L505-F528 HydrophobicContact CD2-CZ 4.09Å; L505-F528 HydrophobicContact CG-CD2 4.07Å; L505-F528 HydrophobicContact CG-CE2 3.88Å; L505-F528 WeakPolarHBondContact O-CA 3.46Å; L505-F529 PolarHBondContact O-N 3.4Å
506	D	97	Very high	93.1	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.112	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116	170.7	177.8	22.8	0	0	0	111.2	L481 K482 L483 S484 L504 S508 F529	L481-D506 PolarHBondContact O-N 3.39Å; K482-D506 HydrophobicContact CB-CB 4.36Å; K482-D506 HydrophobicContact CG-CB 4.14Å; L483-D506 CarbonylContact C-O 3.45Å; L483-D506 WeakPolarHBondContact CA-O 3.27Å; L483-D506 PolarHBondContact N-O 2.78Å; S484-D506 WeakPolarHBondContact CB-OD2 3.41Å; S484-D506 PolarHBondContact OG-OD2 2.88Å; L504-D506 HydrophobicContact CD2-CB 4.31Å; D506-S508 VanDerWaalsContact OD1-CB 3.26Å; D506-S508 WeakPolarHBondContact OD1-CB 3.17Å; D506-S508 PolarHBondContact OD1-N 2.8Å; D506-S508 PolarHBondContact OD1-OG 2.89Å; D506-F529 HydrophobicContact CB-CB 4.27Å; D506-F529 HydrophobicContact CB-CD2 4.29Å
507	L	96.2	Very high	93.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.			trans	-125.2	17.6	176.8	-80	162.8	0	0	0	111.4	L483 L488 L491 L505 N510 I512 F528 F529 L530 N533	L483-L507 HydrophobicContact CB-CD2 3.82Å; L483-L507 HydrophobicContact CD1-CD2 3.9Å; L488-L507 HydrophobicContact CD1-CD2 3.64Å; L491-L507 HydrophobicContact CD1-CD1 3.74Å; L505-L507 HydrophobicContact CD1-CD1 3.89Å; L505-L507 HydrophobicContact CD1-CG 3.98Å; L505-L507 HydrophobicContact CD2-CD1 3.82Å; L505-L507 HydrophobicContact CG-CD1 3.81Å; L505-L507 HydrophobicContact CG-CG 4.21Å; L507-N510 PolarHBondContact O-ND2 3.44Å; L507-I512 HydrophobicContact CB-CD1 4.12Å; L507-I512 HydrophobicContact CD2-CD1 4.02Å; L507-I512 HydrophobicContact CG-CD1 4.47Å; L507-F528 HydrophobicContact CD1-CE2 4.16Å; L507-F529 CarbonylContact C-O 3.14Å; L507-F529 PolarHBondContact N-O 2.93Å; L507-L530 HydrophobicContact CB-CD2 3.99Å; L507-L530 HydrophobicContact CD1-CD2 4.43Å; L507-N533 PolarHBondContact O-ND2 2.89Å
508	S	93.7	Very high	93.3	Very high	15 Å²	15	39.5 Å²	39.5	11%	0.105	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	158.7	-179.7	63.4	0	0	0	0	113.2	S484 S485 D506 N510 F529 S531	S484-S508 CarbonylContact C-O 3.35Å; S484-S508 WeakPolarHBondContact CA-O 3.48Å; S484-S508 WeakPolarHBondContact CB-O 3.18Å; S484-S508 VanDerWaalsContact CB-OG 3.25Å; S484-S508 WeakPolarHBondContact CB-OG 3.29Å; S485-S508 PolarHBondContact N-O 3.23Å; D506-S508 VanDerWaalsContact OD1-CB 3.26Å; D506-S508 WeakPolarHBondContact OD1-CB 3.17Å; D506-S508 PolarHBondContact OD1-N 2.8Å; D506-S508 PolarHBondContact OD1-OG 2.89Å; S508-N510 PolarHBondContact O-N 2.91Å; S508-N510 VanDerWaalsContact O-N 3.16Å; S508-N510 PolarHBondContact O-ND2 3.23Å; S508-F529 PolarHBondContact N-O 3.11Å; S508-S531 CarbonylContact C-O 3.56Å; S508-S531 WeakPolarHBondContact CA-O 3.32Å; S508-S531 WeakPolarHBondContact CB-O 3.5Å
509	R	92.8	Very high	93.6	Very high	118 Å²	118	38.3 Å²	38.3	45%	0.445	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	26	175.4	-63.2	174.1	165.3	-148.8	-16.7	115	S485 S531 E532 H901	S485-R509 WeakPolarHBondContact CA-O 3.5Å; R509-S531 PolarHBondContact N-O 3.02Å; R509-E532 WeakPolarHBondContact CA-O 3.27Å; R509-E532 HydrophobicContact CG-CB 3.88Å; R509-E532 HydrophobicContact CG-CG 4.33Å; R509-E532 IonicContact CZ-OE1 2.65Å; R509-E532 IonicContact NE-OE1 2.64Å; R509-E532 PolarHBondContact NE-OE1 2.71Å; R509-E532 IonicContact NE-OE2 2.68Å; R509-E532 IonicContact NH2-OE1 2.69Å; R509-E532 PolarHBondContact NH2-OE1 2.95Å; R509-E532 IonicContact NH2-OE2 3.54Å; R509-H901 PolarHBondContact NH2-CE1 3.18Å; R509-H901 PolarHBondContact NH2-NE2 3.33Å
510	N	93.4	Very high	93.5	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.048	21%	0.208	C	C	.	.	S	Bend	trans	-96.2	-163.2	172.8	-77.8	-68.4	0	0	0	110.5	L483 M486 N487 L488 L507 S508 I512 N533	L483-N510 PolarHBondContact O-ND2 3.36Å; M486-N510 WeakPolarHBondContact CA-OD1 3.4Å; M486-N510 PolarHBondContact N-OD1 3.43Å; N487-N510 PolarHBondContact N-OD1 3.23Å; L488-N510 HydrophobicContact CB-CB 4.13Å; L488-N510 WeakPolarHBondContact CB-OD1 3.18Å; L488-N510 PolarHBondContact N-OD1 3.34Å; L507-N510 PolarHBondContact O-ND2 3.44Å; S508-N510 PolarHBondContact O-N 2.91Å; S508-N510 VanDerWaalsContact O-N 3.16Å; S508-N510 PolarHBondContact O-ND2 3.23Å; N510-I512 HydrophobicContact CB-CD1 4.03Å; N510-I512 HydrophobicContact CB-CG1 3.94Å; N510-N533 WeakPolarHBondContact CA-OD1 3.48Å; N510-N533 WeakPolarHBondContact CB-OD1 3.35Å; N510-N533 PolarHBondContact O-OD1 3.43Å
511	K	91.6	Very high	93.6	Very high	94 Å²	94	37.2 Å²	37.2	41%	0.409	19%	0.192	S	C	.	.			trans	-119	18.9	178.3	-67.7	174.2	176.4	166.8	0	111.9	N487 L488 T489 S513 N533	N487-K511 WeakPolarHBondContact OD1-CD 3.42Å; N487-K511 WeakPolarHBondContact OD1-CE 3.47Å; N487-K511 PolarHBondContact OD1-NZ 3.28Å; L488-K511 CarbonylContact O-C 3.39Å; L488-K511 VanDerWaalsContact O-CA 3.29Å; L488-K511 WeakPolarHBondContact O-CA 3.47Å; L488-K511 WeakPolarHBondContact O-CB 3.3Å; L488-K511 PolarHBondContact O-N 2.84Å; T489-K511 HydrophobicContact CG2-CB 4.28Å; T489-K511 HydrophobicContact CG2-CD 4.48Å; K511-S513 PolarHBondContact O-N 3.06Å; K511-N533 PolarHBondContact N-OD1 2.93Å
512	I	93.3	Very high	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.			trans	-63.1	119.2	-169.9	-59.8	169.6	0	0	0	109.9	L488 T489 L491 L507 N510 Q514 N533 K534 L535	L488-I512 HydrophobicContact CB-CD1 4.46Å; L488-I512 HydrophobicContact CB-CG1 4.25Å; L488-I512 PolarHBondContact O-N 2.92Å; T489-I512 WeakPolarHBondContact O-CA 3.46Å; L491-I512 HydrophobicContact CD1-CD1 4.45Å; L491-I512 HydrophobicContact CG-CD1 4.38Å; L507-I512 HydrophobicContact CB-CD1 4.12Å; L507-I512 HydrophobicContact CD2-CD1 4.02Å; L507-I512 HydrophobicContact CG-CD1 4.47Å; N510-I512 HydrophobicContact CB-CD1 4.03Å; N510-I512 HydrophobicContact CB-CG1 3.94Å; I512-Q514 WeakPolarHBondContact CG2-O 2.97Å; I512-N533 HydrophobicContact CB-CB 4.5Å; I512-N533 WeakPolarHBondContact CB-OD1 3.26Å; I512-N533 PolarHBondContact N-OD1 2.91Å; I512-K534 CarbonylContact O-C 3.42Å; I512-K534 VanDerWaalsContact O-C 3.24Å; I512-K534 VanDerWaalsContact O-CA 3.31Å; I512-K534 WeakPolarHBondContact O-CA 2.99Å; I512-K534 PolarHBondContact O-N 2.73Å; I512-L535 HydrophobicContact CG2-CD2 3.83Å; I512-L535 PolarHBondContact O-N 3.39Å
513	S	91.4	Very high	93.5	Very high	48 Å²	48	41.3 Å²	41.3	34%	0.336	21%	0.207	S	C	.	.			trans	-88.4	-28.5	178.2	54.1	0	0	0	0	114.2	T489 K511 L535 T536	T489-S513 PolarHBondContact O-N 2.8Å; K511-S513 PolarHBondContact O-N 3.06Å; S513-L535 WeakPolarHBondContact O-CA 3.38Å; S513-T536 PolarHBondContact O-N 3Å
514	Q	91.8	Very high	93.4	Very high	119 Å²	119	39.6 Å²	39.6	56%	0.556	20%	0.204	S	C	*	.			trans	-146.3	147.5	-178.3	-69.5	177.7	-33.5	0	0	110.3	I512	I512-Q514 WeakPolarHBondContact CG2-O 2.97Å
515	L	93.7	Very high	93.4	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.073	20%	0.197	C	C	.	.			trans	-89.6	157.7	168.2	-63.6	179.6	0	0	0	110	L491 F528 L530 L535 L538 P539 I542	L491-L515 HydrophobicContact CD1-CD2 4.37Å; L515-F528 HydrophobicContact CD1-CE1 4.4Å; L515-F528 HydrophobicContact CD1-CZ 4.41Å; L515-F528 HydrophobicContact CD2-CZ 4.29Å; L515-L530 HydrophobicContact CD1-CD1 3.77Å; L515-L530 HydrophobicContact CD2-CD1 4.15Å; L515-L530 HydrophobicContact CD2-CD2 3.76Å; L515-L535 HydrophobicContact CD1-CD1 4.41Å; L515-L535 HydrophobicContact CD2-CD1 4.39Å; L515-L535 HydrophobicContact CD2-CD2 4.12Å; L515-L535 HydrophobicContact CG-CD1 4.25Å; L515-L535 HydrophobicContact CG-CD2 3.9Å; L515-L538 HydrophobicContact CD1-CD2 3.9Å; L515-P539 HydrophobicContact CB-CG 4.08Å; L515-I542 HydrophobicContact CD1-CD1 4.36Å
516	P	92.5	Very high	93.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.211	C	C	.	.			trans	-77.8	149.2	178.1	33.4	-31.8	0	0	0	111	L491 N493 L496 D518 I519	L491-P516 HydrophobicContact CB-CG 4.21Å; N493-P516 VanDerWaalsContact OD1-CA 3.22Å; N493-P516 WeakPolarHBondContact OD1-CA 3.47Å; N493-P516 VanDerWaalsContact OD1-CB 3.31Å; N493-P516 WeakPolarHBondContact OD1-CB 3.4Å; L496-P516 HydrophobicContact CD1-CG 4.49Å; P516-D518 VanDerWaalsContact C-N 3.27Å; P516-D518 PolarHBondContact O-N 2.75Å; P516-I519 WeakPolarHBondContact O-CB 3.23Å; P516-I519 PolarHBondContact O-N 3.15Å
517	D	90.3	Very high	93.2	Very high	99 Å²	99	42.5 Å²	42.5	53%	0.529	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-66.2	-29.4	-178	-58.3	-66.1	0	0	0	112.6	N493 I519 T541	N493-D517 PolarHBondContact ND2-OD2 3.27Å; N493-D517 PolarHBondContact OD1-N 3.4Å; D517-I519 PolarHBondContact O-N 3Å; D517-T541 VanDerWaalsContact O-CB 3.23Å; D517-T541 WeakPolarHBondContact O-CB 3.24Å; D517-T541 VanDerWaalsContact O-CG2 3.31Å; D517-T541 WeakPolarHBondContact O-CG2 3.34Å; D517-T541 PolarHBondContact O-OG1 3.09Å
518	D	90.9	Very high	93.2	Very high	29 Å²	29	42.5 Å²	42.5	16%	0.155	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-83.8	18.3	179.1	59.5	-62.3	0	0	0	114.2	N493 G494 C497 P516 N520 S521	N493-D518 WeakPolarHBondContact CA-OD1 3.25Å; N493-D518 VanDerWaalsContact CB-OD1 3.25Å; N493-D518 WeakPolarHBondContact CB-OD1 3.46Å; G494-D518 WeakPolarHBondContact CA-OD2 3.48Å; G494-D518 VanDerWaalsContact N-CG 3.26Å; G494-D518 PolarHBondContact N-OD1 3.07Å; G494-D518 PolarHBondContact N-OD2 2.92Å; C497-D518 PolarHBondContact SG-OD2 3.1Å; P516-D518 VanDerWaalsContact C-N 3.27Å; P516-D518 PolarHBondContact O-N 2.75Å; D518-N520 WeakPolarHBondContact CA-OD1 3.47Å; D518-N520 PolarHBondContact O-N 3.04Å; D518-N520 PolarHBondContact O-OD1 2.98Å; D518-S521 WeakPolarHBondContact O-CB 3.45Å; D518-S521 PolarHBondContact O-N 3.37Å; D518-S521 PolarHBondContact O-OG 2.74Å; D518-S521 VanDerWaalsContact O-OG 3.09Å
519	I	93.5	Very high	93.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-56.4	-24.2	177	-165.1	63.9	0	0	0	113.4	L496 P516 D517 S521 L522 F528 P539 I542 L545	L496-I519 HydrophobicContact CD1-CD1 3.69Å; P516-I519 WeakPolarHBondContact O-CB 3.23Å; P516-I519 PolarHBondContact O-N 3.15Å; D517-I519 PolarHBondContact O-N 3Å; I519-S521 PolarHBondContact O-N 2.88Å; I519-S521 VanDerWaalsContact O-N 3.14Å; I519-L522 HydrophobicContact CD1-CD1 3.75Å; I519-L522 PolarHBondContact O-N 3.19Å; I519-F528 HydrophobicContact CD1-CE1 4Å; I519-F528 HydrophobicContact CD1-CZ 3.91Å; I519-F528 HydrophobicContact CG1-CE1 3.92Å; I519-F528 HydrophobicContact CG1-CZ 4.31Å; I519-P539 HydrophobicContact CG2-CG 4.02Å; I519-I542 HydrophobicContact CG2-CB 4.44Å; I519-L545 HydrophobicContact CG1-CD1 4.46Å
520	N	91.7	Very high	93.5	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.283	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-63.8	-9	173.7	63.2	-21	0	0	0	114.6	D518 L522 T541 Q544	D518-N520 WeakPolarHBondContact CA-OD1 3.47Å; D518-N520 PolarHBondContact O-N 3.04Å; D518-N520 PolarHBondContact O-OD1 2.98Å; N520-L522 PolarHBondContact O-N 3.18Å; N520-T541 HydrophobicContact CB-CG2 4.5Å; N520-Q544 HydrophobicContact CB-CB 4.03Å; N520-Q544 PolarHBondContact ND2-OE1 3.14Å
521	S	91.6	Very high	93.5	Very high	25 Å²	25	37.5 Å²	37.5	18%	0.175	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.5	-19.8	172.5	67.7	0	0	0	0	113.6	D518 I519 I523	D518-S521 WeakPolarHBondContact O-CB 3.45Å; D518-S521 PolarHBondContact O-N 3.37Å; D518-S521 PolarHBondContact O-OG 2.74Å; D518-S521 VanDerWaalsContact O-OG 3.09Å; I519-S521 PolarHBondContact O-N 2.88Å; I519-S521 VanDerWaalsContact O-N 3.14Å; S521-I523 PolarHBondContact O-N 3.12Å
522	L	94.3	Very high	93.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.			trans	-84.3	59.2	-178.8	-56.3	179.8	0	0	0	111.3	L496 M499 L502 L505 I519 N520 S524 L525 L545	L496-L522 HydrophobicContact CB-CD2 4.29Å; L496-L522 HydrophobicContact CD1-CD1 4.15Å; M499-L522 HydrophobicContact CB-CD2 3.99Å; M499-L522 HydrophobicContact CE-CD2 4.3Å; M499-L522 WeakPolarHBondContact O-CD2 3.21Å; L502-L522 HydrophobicContact CB-CD2 4.25Å; L502-L522 HydrophobicContact CD2-CD1 4.21Å; L502-L522 HydrophobicContact CD2-CD2 4.15Å; L505-L522 HydrophobicContact CD2-CD1 3.87Å; I519-L522 HydrophobicContact CD1-CD1 3.75Å; I519-L522 PolarHBondContact O-N 3.19Å; N520-L522 PolarHBondContact O-N 3.18Å; L522-S524 PolarHBondContact O-N 3.43Å; L522-L525 HydrophobicContact CB-CB 4.1Å; L522-L525 HydrophobicContact CB-CD2 4.45Å; L522-L525 HydrophobicContact CD1-CD2 4.15Å; L522-L525 VanDerWaalsContact O-CB 3.3Å; L522-L525 WeakPolarHBondContact O-CB 3.43Å; L522-L525 PolarHBondContact O-N 2.78Å; L522-L545 HydrophobicContact CB-CD2 4.29Å; L522-L545 VanDerWaalsContact O-CD2 3.31Å; L522-L545 WeakPolarHBondContact O-CD2 3.43Å
523	I	92.3	Very high	93.5	Very high	110 Å²	110	36 Å²	36	56%	0.564	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.8	-167.3	59.5	173.6	0	0	0	115.1	I500 S521	I500-I523 HydrophobicContact CB-CG1 4.47Å; I500-I523 WeakPolarHBondContact O-CG1 3.44Å; S521-I523 PolarHBondContact O-N 3.12Å
524	S	94.7	Very high	93.5	Very high	47 Å²	47	38.6 Å²	38.6	33%	0.329	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.8	178.8	-65.7	0	0	0	0	115	I500 L502 L522 E526	I500-S524 PolarHBondContact O-OG 3.12Å; L502-S524 CarbonylContact O-C 3.19Å; L522-S524 PolarHBondContact O-N 3.43Å; S524-E526 PolarHBondContact O-N 2.85Å; S524-E526 VanDerWaalsContact O-N 3.17Å
525	L	96.6	Very high	93.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.17	C	C	.	.			trans	-70.5	112.2	-169.8	-163.8	72.7	0	0	0	112.8	L502 L505 L522 F528 L545 E547 L548	L502-L525 HydrophobicContact CD2-CD1 4.11Å; L502-L525 HydrophobicContact CG-CD1 4.16Å; L502-L525 WeakPolarHBondContact O-CA 3.34Å; L502-L525 PolarHBondContact O-N 3.11Å; L502-L525 VanDerWaalsContact O-N 3.13Å; L505-L525 HydrophobicContact CB-CD1 3.81Å; L505-L525 HydrophobicContact CB-CD2 4.48Å; L522-L525 HydrophobicContact CB-CB 4.1Å; L522-L525 HydrophobicContact CB-CD2 4.45Å; L522-L525 HydrophobicContact CD1-CD2 4.15Å; L522-L525 VanDerWaalsContact O-CB 3.3Å; L522-L525 WeakPolarHBondContact O-CB 3.43Å; L522-L525 PolarHBondContact O-N 2.78Å; L525-F528 HydrophobicContact CD2-CB 3.84Å; L525-F528 HydrophobicContact CD2-CD1 3.78Å; L525-F528 HydrophobicContact CD2-CD2 4.46Å; L525-F528 HydrophobicContact CD2-CE1 4.41Å; L525-F528 HydrophobicContact CD2-CG 3.8Å; L525-L545 HydrophobicContact CD2-CD1 4.16Å; L525-E547 CarbonylContact O-C 3.44Å; L525-L548 HydrophobicContact CD2-CD1 4.27Å; L525-L548 HydrophobicContact CG-CD1 4.17Å; L525-L548 VanDerWaalsContact O-CA 3.24Å; L525-L548 WeakPolarHBondContact O-CA 3.45Å; L525-L548 WeakPolarHBondContact O-CD1 3.3Å; L525-L548 PolarHBondContact O-N 2.99Å
526	E	95.6	Very high	93.5	Very high	62 Å²	62	35.1 Å²	35.1	29%	0.29	18%	0.184	S	C	.	.			trans	-92.9	-36.4	176.8	-62.2	-160.1	173.1	0	0	113	E503 S524 R549 T550	E503-E526 PolarHBondContact O-N 2.91Å; S524-E526 PolarHBondContact O-N 2.85Å; S524-E526 VanDerWaalsContact O-N 3.17Å; E526-R549 PolarHBondContact O-N 2.78Å; E526-R549 IonicContact OE1-CZ 3.19Å; E526-R549 IonicContact OE1-NE 3.78Å; E526-R549 IonicContact OE1-NH1 2.6Å; E526-R549 PolarHBondContact OE1-NH1 3.17Å; E526-R549 IonicContact OE1-NH2 3.5Å; E526-R549 PolarHBondContact OE1-NH2 3.33Å; E526-R549 WeakPolarHBondContact OE2-CD 3.48Å; E526-R549 IonicContact OE2-CZ 2.73Å; E526-R549 IonicContact OE2-NE 2.65Å; E526-R549 IonicContact OE2-NH1 2.66Å; E526-R549 PolarHBondContact OE2-NH1 2.9Å; E526-R549 IonicContact OE2-NH2 2.79Å; E526-T550 PolarHBondContact O-N 2.6Å
527	E	95.6	Very high	93.5	Very high	48 Å²	48	37.6 Å²	37.6	22%	0.224	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.1	-177.1	-58.2	-148.3	130.9	0	0	112.9	E503 L504 L505 F529 T550	E503-E527 PolarHBondContact O-N 3.36Å; L504-E527 WeakPolarHBondContact CA-O 3.45Å; L504-E527 HydrophobicContact CB-CB 4.48Å; L504-E527 HydrophobicContact CD1-CB 4.19Å; L504-E527 HydrophobicContact CG-CB 4.02Å; L505-E527 PolarHBondContact N-O 3.1Å; E527-F529 HydrophobicContact CB-CE2 3.72Å; E527-F529 HydrophobicContact CB-CZ 4.1Å; E527-F529 WeakPolarHBondContact OE2-CZ 3.49Å; E527-T550 WeakPolarHBondContact OE1-CB 3.03Å; E527-T550 PolarHBondContact OE1-OG1 2.65Å
528	F	96.9	Very high	93.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	110.7	-178.2	-164.4	-178.2	0	0	0	111.3	L505 L507 L515 I519 L525 L530 I542 L548 T550 L551 D552	L505-F528 HydrophobicContact CB-CD2 4.07Å; L505-F528 HydrophobicContact CB-CE2 4.37Å; L505-F528 HydrophobicContact CD2-CD2 4.14Å; L505-F528 HydrophobicContact CD2-CE2 3.61Å; L505-F528 HydrophobicContact CD2-CZ 4.09Å; L505-F528 HydrophobicContact CG-CD2 4.07Å; L505-F528 HydrophobicContact CG-CE2 3.88Å; L505-F528 WeakPolarHBondContact O-CA 3.46Å; L507-F528 HydrophobicContact CD1-CE2 4.16Å; L515-F528 HydrophobicContact CD1-CE1 4.4Å; L515-F528 HydrophobicContact CD1-CZ 4.41Å; L515-F528 HydrophobicContact CD2-CZ 4.29Å; I519-F528 HydrophobicContact CD1-CE1 4Å; I519-F528 HydrophobicContact CD1-CZ 3.91Å; I519-F528 HydrophobicContact CG1-CE1 3.92Å; I519-F528 HydrophobicContact CG1-CZ 4.31Å; L525-F528 HydrophobicContact CD2-CB 3.84Å; L525-F528 HydrophobicContact CD2-CD1 3.78Å; L525-F528 HydrophobicContact CD2-CD2 4.46Å; L525-F528 HydrophobicContact CD2-CE1 4.41Å; L525-F528 HydrophobicContact CD2-CG 3.8Å; F528-L530 HydrophobicContact CD1-CD1 4.18Å; F528-L530 HydrophobicContact CD2-CD1 4.09Å; F528-L530 HydrophobicContact CD2-CD2 4.28Å; F528-L530 HydrophobicContact CD2-CG 3.81Å; F528-L530 HydrophobicContact CE1-CD1 3.86Å; F528-L530 HydrophobicContact CE2-CD1 3.75Å; F528-L530 HydrophobicContact CE2-CD2 3.53Å; F528-L530 HydrophobicContact CE2-CG 3.52Å; F528-L530 HydrophobicContact CG-CD1 4.3Å; F528-L530 HydrophobicContact CG-CG 4.44Å; F528-L530 HydrophobicContact CZ-CD1 3.64Å; F528-L530 HydrophobicContact CZ-CD2 3.91Å; F528-L530 HydrophobicContact CZ-CG 3.94Å; F528-I542 HydrophobicContact CD1-CD1 4.39Å; F528-I542 HydrophobicContact CE1-CD1 4.3Å; F528-L548 HydrophobicContact CB-CD1 3.78Å; F528-T550 PolarHBondContact N-O 3.48Å; F528-L551 HydrophobicContact CB-CD1 4.16Å; F528-L551 HydrophobicContact CD1-CD1 4.19Å; F528-L551 HydrophobicContact CG-CD1 4.36Å; F528-L551 WeakPolarHBondContact O-CA 3.49Å; F528-D552 PolarHBondContact O-N 2.67Å
529	F	96.3	Very high	93.8	Very high	29 Å²	29	32.9 Å²	32.9	13%	0.127	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.4	179.7	-53.6	-85.8	0	0	0	110.9	L504 L505 D506 L507 S508 E527 T550 D552 K582	L504-F529 HydrophobicContact CD1-CE2 4.11Å; L504-F529 HydrophobicContact CD2-CD2 4.4Å; L504-F529 HydrophobicContact CD2-CE2 4.35Å; L504-F529 HydrophobicContact CG-CE2 4.13Å; L505-F529 PolarHBondContact O-N 3.4Å; D506-F529 HydrophobicContact CB-CB 4.27Å; D506-F529 HydrophobicContact CB-CD2 4.29Å; L507-F529 CarbonylContact C-O 3.14Å; L507-F529 PolarHBondContact N-O 2.93Å; S508-F529 PolarHBondContact N-O 3.11Å; E527-F529 HydrophobicContact CB-CE2 3.72Å; E527-F529 HydrophobicContact CB-CZ 4.1Å; E527-F529 WeakPolarHBondContact OE2-CZ 3.49Å; F529-T550 HydrophobicContact CE1-CG2 3.66Å; F529-T550 HydrophobicContact CZ-CG2 3.86Å; F529-D552 HydrophobicContact CD1-CB 3.83Å; F529-K582 HydrophobicContact CE1-CB 4.28Å
530	L	96	Very high	93.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.			trans	-133	9.6	-173.9	-74.8	170.3	0	0	0	112.5	L507 L515 F528 N533 L535 L551 D552 V553 N556	L507-L530 HydrophobicContact CB-CD2 3.99Å; L507-L530 HydrophobicContact CD1-CD2 4.43Å; L515-L530 HydrophobicContact CD1-CD1 3.77Å; L515-L530 HydrophobicContact CD2-CD1 4.15Å; L515-L530 HydrophobicContact CD2-CD2 3.76Å; F528-L530 HydrophobicContact CD1-CD1 4.18Å; F528-L530 HydrophobicContact CD2-CD1 4.09Å; F528-L530 HydrophobicContact CD2-CD2 4.28Å; F528-L530 HydrophobicContact CD2-CG 3.81Å; F528-L530 HydrophobicContact CE1-CD1 3.86Å; F528-L530 HydrophobicContact CE2-CD1 3.75Å; F528-L530 HydrophobicContact CE2-CD2 3.53Å; F528-L530 HydrophobicContact CE2-CG 3.52Å; F528-L530 HydrophobicContact CG-CD1 4.3Å; F528-L530 HydrophobicContact CG-CG 4.44Å; F528-L530 HydrophobicContact CZ-CD1 3.64Å; F528-L530 HydrophobicContact CZ-CD2 3.91Å; F528-L530 HydrophobicContact CZ-CG 3.94Å; L530-N533 WeakPolarHBondContact O-CB 3.45Å; L530-N533 PolarHBondContact O-ND2 3.01Å; L530-L535 HydrophobicContact CB-CD1 4.16Å; L530-L535 HydrophobicContact CD1-CD1 4.01Å; L530-L535 HydrophobicContact CD2-CD1 4.37Å; L530-L535 HydrophobicContact CG-CD1 4.43Å; L530-L551 HydrophobicContact CD1-CD1 4.46Å; L530-D552 CarbonylContact C-O 3.46Å; L530-D552 VanDerWaalsContact C-O 3.29Å; L530-D552 VanDerWaalsContact CA-O 3.3Å; L530-D552 WeakPolarHBondContact CA-O 3.03Å; L530-D552 WeakPolarHBondContact CB-O 3.5Å; L530-D552 PolarHBondContact N-O 3.47Å; L530-V553 HydrophobicContact CB-CG1 4.12Å; L530-V553 HydrophobicContact CD1-CG1 3.95Å; L530-N556 PolarHBondContact O-ND2 2.83Å
531	S	92.5	Very high	93.7	Very high	8 Å²	8	35.9 Å²	35.9	6%	0.056	19%	0.194	C	C	.	.			trans	-68.8	156	-171.6	48.4	0	0	0	0	113.8	S508 R509 N533 D552 S554 K582	S508-S531 CarbonylContact C-O 3.56Å; S508-S531 WeakPolarHBondContact CA-O 3.32Å; S508-S531 WeakPolarHBondContact CB-O 3.5Å; R509-S531 PolarHBondContact N-O 3.02Å; S531-N533 PolarHBondContact O-ND2 2.77Å; S531-D552 WeakPolarHBondContact CB-OD1 3.21Å; S531-D552 WeakPolarHBondContact CB-OD2 3.38Å; S531-D552 PolarHBondContact N-O 3.47Å; S531-D552 PolarHBondContact OG-OD2 3.15Å; S531-S554 CarbonylContact C-O 3.53Å; S531-S554 WeakPolarHBondContact CA-O 3.44Å; S531-S554 WeakPolarHBondContact CB-O 3.34Å; S531-S554 VanDerWaalsContact CB-OG 3.3Å; S531-S554 WeakPolarHBondContact CB-OG 3.26Å; S531-K582 PolarHBondContact OG-NZ 3.06Å
532	E	91.2	Very high	93.9	Very high	52 Å²	52	34.7 Å²	34.7	24%	0.243	19%	0.186	C	C	.	.	S	Bend	trans	55.8	49.8	-175.7	-58.9	-176.8	-122.8	0	0	113.1	R509 S554 Y555 H901	R509-E532 WeakPolarHBondContact CA-O 3.27Å; R509-E532 HydrophobicContact CG-CB 3.88Å; R509-E532 HydrophobicContact CG-CG 4.33Å; R509-E532 IonicContact CZ-OE1 2.65Å; R509-E532 IonicContact NE-OE1 2.64Å; R509-E532 PolarHBondContact NE-OE1 2.71Å; R509-E532 IonicContact NE-OE2 2.68Å; R509-E532 IonicContact NH2-OE1 2.69Å; R509-E532 PolarHBondContact NH2-OE1 2.95Å; R509-E532 IonicContact NH2-OE2 3.54Å; E532-S554 PolarHBondContact N-O 2.91Å; E532-Y555 WeakPolarHBondContact CA-O 3.27Å; E532-Y555 HydrophobicContact CG-CD2 4.42Å; E532-H901 IonicContact OE1-CE1 2.74Å; E532-H901 IonicContact OE2-CE1 2.74Å; E532-H901 PolarHBondContact OE2-CE1 3.11Å; E532-H901 IonicContact OE2-CG 2.99Å; E532-H901 IonicContact OE2-ND1 3.34Å; E532-H901 PolarHBondContact OE2-ND1 3.06Å
533	N	93.6	Very high	93.7	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.064	19%	0.187	C	C	.	.	S	Bend	trans	-119	-160	174.1	-88.8	-74.1	0	0	0	110.6	L507 N510 K511 I512 L530 S531 L535 Y555 N556	L507-N533 PolarHBondContact O-ND2 2.89Å; N510-N533 WeakPolarHBondContact CA-OD1 3.48Å; N510-N533 WeakPolarHBondContact CB-OD1 3.35Å; N510-N533 PolarHBondContact O-OD1 3.43Å; K511-N533 PolarHBondContact N-OD1 2.93Å; I512-N533 HydrophobicContact CB-CB 4.5Å; I512-N533 WeakPolarHBondContact CB-OD1 3.26Å; I512-N533 PolarHBondContact N-OD1 2.91Å; L530-N533 WeakPolarHBondContact O-CB 3.45Å; L530-N533 PolarHBondContact O-ND2 3.01Å; S531-N533 PolarHBondContact O-ND2 2.77Å; N533-L535 HydrophobicContact CB-CG 4.45Å; N533-Y555 PolarHBondContact N-O 3.29Å; N533-N556 VanDerWaalsContact CA-OD1 3.32Å; N533-N556 WeakPolarHBondContact CA-OD1 3.32Å; N533-N556 WeakPolarHBondContact CB-OD1 3.31Å
534	K	92.8	Very high	93.7	Very high	102 Å²	102	35 Å²	35	44%	0.443	19%	0.185	S	C	.	.			trans	-123.1	22	-179.5	-60.9	-174.9	178.1	-177.5	0	113.2	I512 T536 N556	I512-K534 CarbonylContact O-C 3.42Å; I512-K534 VanDerWaalsContact O-C 3.24Å; I512-K534 VanDerWaalsContact O-CA 3.31Å; I512-K534 WeakPolarHBondContact O-CA 2.99Å; I512-K534 PolarHBondContact O-N 2.73Å; K534-T536 PolarHBondContact O-N 3.3Å; K534-N556 PolarHBondContact N-OD1 2.79Å
535	L	94.1	Very high	93.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.			trans	-60.9	120	-175	-61.8	174.8	0	0	0	111	I512 S513 L515 L530 N533 L538 N556 Q557 L558	I512-L535 HydrophobicContact CG2-CD2 3.83Å; I512-L535 PolarHBondContact O-N 3.39Å; S513-L535 WeakPolarHBondContact O-CA 3.38Å; L515-L535 HydrophobicContact CD1-CD1 4.41Å; L515-L535 HydrophobicContact CD2-CD1 4.39Å; L515-L535 HydrophobicContact CD2-CD2 4.12Å; L515-L535 HydrophobicContact CG-CD1 4.25Å; L515-L535 HydrophobicContact CG-CD2 3.9Å; L530-L535 HydrophobicContact CB-CD1 4.16Å; L530-L535 HydrophobicContact CD1-CD1 4.01Å; L530-L535 HydrophobicContact CD2-CD1 4.37Å; L530-L535 HydrophobicContact CG-CD1 4.43Å; N533-L535 HydrophobicContact CB-CG 4.45Å; L535-L538 HydrophobicContact CD1-CD2 4.03Å; L535-N556 HydrophobicContact CB-CB 4.1Å; L535-N556 WeakPolarHBondContact CB-OD1 3.37Å; L535-N556 WeakPolarHBondContact CG-OD1 3.45Å; L535-N556 PolarHBondContact N-OD1 3.1Å; L535-Q557 CarbonylContact O-C 3.34Å; L535-Q557 VanDerWaalsContact O-CA 3.24Å; L535-Q557 WeakPolarHBondContact O-CA 3.47Å; L535-Q557 PolarHBondContact O-N 2.98Å; L535-L558 HydrophobicContact CB-CD2 4.04Å; L535-L558 WeakPolarHBondContact O-CD2 3.43Å; L535-L558 PolarHBondContact O-N 3.03Å; L535-L558 VanDerWaalsContact O-N 3.14Å
536	T	91.1	Very high	93.5	Very high	60 Å²	60	39.9 Å²	39.9	37%	0.368	20%	0.201	S	C	.	.	S	Bend	trans	-87.7	-25.3	176.1	55.3	0	0	0	0	113	S513 K534 Q557	S513-T536 PolarHBondContact O-N 3Å; K534-T536 PolarHBondContact O-N 3.3Å; T536-Q557 HydrophobicContact CG2-CB 4.32Å
537	S	92.4	Very high	93.4	Very high	53 Å²	53	41 Å²	41	37%	0.371	21%	0.206	S	C	.	.			trans	-151	169.3	177.3	52.9	0	0	0	0	110	L558	S537-L558 VanDerWaalsContact C-CD2 3.48Å; S537-L558 VanDerWaalsContact CA-CD2 3.49Å
538	L	94.1	Very high	93.4	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.052	20%	0.195	C	C	.	.			trans	-115.2	143	167.8	-56.7	174.1	0	0	0	108.2	L515 L535 I542 V553 L558 L561 P562	L515-L538 HydrophobicContact CD1-CD2 3.9Å; L535-L538 HydrophobicContact CD1-CD2 4.03Å; L538-I542 HydrophobicContact CB-CG2 4.36Å; L538-I542 HydrophobicContact CD1-CD1 4.41Å; L538-V553 HydrophobicContact CD1-CG1 4.3Å; L538-V553 HydrophobicContact CD2-CG1 4.1Å; L538-L558 HydrophobicContact CD1-CD1 4.17Å; L538-L558 HydrophobicContact CD2-CD1 4.4Å; L538-L558 HydrophobicContact CD2-CD2 4.17Å; L538-L558 HydrophobicContact CG-CD1 4.14Å; L538-L558 HydrophobicContact CG-CD2 3.97Å; L538-L561 HydrophobicContact CD1-CD2 4.34Å; L538-P562 HydrophobicContact CB-CG 3.99Å
539	P	93.4	Very high	93.2	Very high	18 Å²	18	44 Å²	44	12%	0.117	22%	0.215	C	C	.	.			trans	-75.1	141.4	176.5	31.8	-34.4	0	0	0	110.2	L515 I519 T541 I542	L515-P539 HydrophobicContact CB-CG 4.08Å; I519-P539 HydrophobicContact CG2-CG 4.02Å; P539-T541 PolarHBondContact O-N 3.27Å; P539-I542 WeakPolarHBondContact O-CB 3.41Å; P539-I542 WeakPolarHBondContact O-CG2 3.47Å; P539-I542 PolarHBondContact O-N 3.35Å
540	N	90.8	Very high	93.1	Very high	86 Å²	86	42.7 Å²	42.7	46%	0.46	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-58.7	-21	-179.2	-70.8	37.4	0	0	0	113.5	I542 C543 D564	N540-I542 PolarHBondContact O-N 2.89Å; N540-C543 VanDerWaalsContact O-CB 3.27Å; N540-C543 WeakPolarHBondContact O-CB 3.44Å; N540-C543 PolarHBondContact O-N 3Å; N540-C543 VanDerWaalsContact O-N 3.09Å; N540-C543 PolarHBondContact O-SG 2.8Å; N540-D564 PolarHBondContact ND2-OD2 2.92Å; N540-D564 VanDerWaalsContact ND2-OD2 3.15Å
541	T	92.6	Very high	93.1	Very high	30 Å²	30	42.7 Å²	42.7	18%	0.184	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-63.4	-19.8	173.3	43.9	0	0	0	0	113.5	D517 N520 P539 C543 Q544	D517-T541 VanDerWaalsContact O-CB 3.23Å; D517-T541 WeakPolarHBondContact O-CB 3.24Å; D517-T541 VanDerWaalsContact O-CG2 3.31Å; D517-T541 WeakPolarHBondContact O-CG2 3.34Å; D517-T541 PolarHBondContact O-OG1 3.09Å; N520-T541 HydrophobicContact CB-CG2 4.5Å; P539-T541 PolarHBondContact O-N 3.27Å; T541-C543 PolarHBondContact O-N 3.15Å; T541-Q544 WeakPolarHBondContact O-CB 3.29Å; T541-Q544 PolarHBondContact O-N 3.5Å; T541-Q544 VanDerWaalsContact O-N 3.1Å
542	I	94.5	Very high	93.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29.7	170.9	-154.5	174.8	0	0	0	111.9	L515 I519 F528 L538 P539 N540 Q544 L545 L551 P562 L565	L515-I542 HydrophobicContact CD1-CD1 4.36Å; I519-I542 HydrophobicContact CG2-CB 4.44Å; F528-I542 HydrophobicContact CD1-CD1 4.39Å; F528-I542 HydrophobicContact CE1-CD1 4.3Å; L538-I542 HydrophobicContact CB-CG2 4.36Å; L538-I542 HydrophobicContact CD1-CD1 4.41Å; P539-I542 WeakPolarHBondContact O-CB 3.41Å; P539-I542 WeakPolarHBondContact O-CG2 3.47Å; P539-I542 PolarHBondContact O-N 3.35Å; N540-I542 PolarHBondContact O-N 2.89Å; I542-Q544 PolarHBondContact O-N 3.26Å; I542-L545 HydrophobicContact CG1-CD1 3.96Å; I542-L545 WeakPolarHBondContact O-CB 3.26Å; I542-L545 WeakPolarHBondContact O-CG 3.1Å; I542-L545 PolarHBondContact O-N 3.05Å; I542-L551 HydrophobicContact CD1-CD1 4.09Å; I542-L551 HydrophobicContact CD1-CD2 4.16Å; I542-P562 HydrophobicContact CG2-CG 4.36Å; I542-L565 HydrophobicContact CG2-CD1 4.02Å
543	C	91.8	Very high	93.4	Very high	5 Å²	5	40 Å²	40	3%	0.034	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-72.3	-6.8	-179.9	-50.2	0	0	0	0	113	N540 T541 D564 L565	N540-C543 VanDerWaalsContact O-CB 3.27Å; N540-C543 WeakPolarHBondContact O-CB 3.44Å; N540-C543 PolarHBondContact O-N 3Å; N540-C543 VanDerWaalsContact O-N 3.09Å; N540-C543 PolarHBondContact O-SG 2.8Å; T541-C543 PolarHBondContact O-N 3.15Å; C543-D564 HydrophobicContact CB-CB 3.76Å; C543-D564 WeakPolarHBondContact CB-O 3.08Å; C543-D564 VanDerWaalsContact SG-C 3.58Å; C543-L565 VanDerWaalsContact SG-CA 3.58Å
544	Q	92.1	Very high	93.1	Very high	113 Å²	113	39.4 Å²	39.4	53%	0.528	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-90.5	-9.3	176.8	-56.1	-178.3	5.3	0	0	112.7	N520 T541 I542 K546	N520-Q544 HydrophobicContact CB-CB 4.03Å; N520-Q544 PolarHBondContact ND2-OE1 3.14Å; T541-Q544 WeakPolarHBondContact O-CB 3.29Å; T541-Q544 PolarHBondContact O-N 3.5Å; T541-Q544 VanDerWaalsContact O-N 3.1Å; I542-Q544 PolarHBondContact O-N 3.26Å; Q544-K546 PolarHBondContact O-N 2.91Å
545	L	94.5	Very high	92.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.192	C	C	.	.			trans	-76.5	68.9	177.3	-59.5	177	0	0	0	110.9	I519 L522 L525 I542 E547 L548 L568	I519-L545 HydrophobicContact CG1-CD1 4.46Å; L522-L545 HydrophobicContact CB-CD2 4.29Å; L522-L545 VanDerWaalsContact O-CD2 3.31Å; L522-L545 WeakPolarHBondContact O-CD2 3.43Å; L525-L545 HydrophobicContact CD2-CD1 4.16Å; I542-L545 HydrophobicContact CG1-CD1 3.96Å; I542-L545 WeakPolarHBondContact O-CB 3.26Å; I542-L545 WeakPolarHBondContact O-CG 3.1Å; I542-L545 PolarHBondContact O-N 3.05Å; L545-E547 PolarHBondContact O-N 3.26Å; L545-L548 HydrophobicContact CB-CB 4.26Å; L545-L548 WeakPolarHBondContact O-CB 3.24Å; L545-L548 PolarHBondContact O-N 2.89Å; L545-L548 VanDerWaalsContact O-N 3.08Å; L545-L568 VanDerWaalsContact O-CD2 3.29Å; L545-L568 WeakPolarHBondContact O-CD2 3.49Å
546	K	91.1	Very high	92.6	Very high	149 Å²	149	40 Å²	40	65%	0.648	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-31	-168.9	-69.8	174	-175.5	173.5	0	114.3	Q544 L548 N570	Q544-K546 PolarHBondContact O-N 2.91Å; K546-L548 VanDerWaalsContact C-N 3.26Å; K546-L548 PolarHBondContact O-N 2.55Å; K546-N570 PolarHBondContact O-ND2 2.83Å
547	E	93.9	Very high	92.5	Very high	86 Å²	86	41.5 Å²	41.5	40%	0.402	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.9	-179.4	-62.2	-45.6	129.9	0	0	114.3	L525 L545 R549 N570	L525-E547 CarbonylContact O-C 3.44Å; L545-E547 PolarHBondContact O-N 3.26Å; E547-R549 WeakPolarHBondContact O-CG 3.31Å; E547-R549 PolarHBondContact O-N 3.37Å; E547-N570 WeakPolarHBondContact CA-ND2 3.29Å; E547-N570 PolarHBondContact O-ND2 3.42Å; E547-N570 PolarHBondContact OE2-ND2 3.3Å
548	L	95.3	Very high	92.3	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.179	C	C	.	.			trans	-60.1	121.4	-174.1	-161.2	68.9	0	0	0	111.9	L525 F528 L545 K546 L551 L568 N570 I571	L525-L548 HydrophobicContact CD2-CD1 4.27Å; L525-L548 HydrophobicContact CG-CD1 4.17Å; L525-L548 VanDerWaalsContact O-CA 3.24Å; L525-L548 WeakPolarHBondContact O-CA 3.45Å; L525-L548 WeakPolarHBondContact O-CD1 3.3Å; L525-L548 PolarHBondContact O-N 2.99Å; F528-L548 HydrophobicContact CB-CD1 3.78Å; L545-L548 HydrophobicContact CB-CB 4.26Å; L545-L548 WeakPolarHBondContact O-CB 3.24Å; L545-L548 PolarHBondContact O-N 2.89Å; L545-L548 VanDerWaalsContact O-N 3.08Å; K546-L548 VanDerWaalsContact C-N 3.26Å; K546-L548 PolarHBondContact O-N 2.55Å; L548-L551 HydrophobicContact CD2-CB 3.98Å; L548-L551 HydrophobicContact CD2-CD1 4.3Å; L548-L551 HydrophobicContact CD2-CD2 4.24Å; L548-L551 HydrophobicContact CD2-CG 4.39Å; L548-L568 HydrophobicContact CD2-CD1 4.25Å; L548-N570 WeakPolarHBondContact O-CB 3.35Å; L548-I571 HydrophobicContact CB-CD1 4.43Å; L548-I571 HydrophobicContact CD2-CD1 4.1Å; L548-I571 HydrophobicContact CG-CD1 4.13Å; L548-I571 WeakPolarHBondContact O-CG1 3.26Å
549	R	93.4	Very high	91.8	Very high	110 Å²	110	40.7 Å²	40.7	42%	0.415	19%	0.191	S	C	.	.			trans	-107.8	-28.9	179.9	-68.2	165	-164.4	171.8	11.3	112.1	E526 E547 N570 G584	E526-R549 PolarHBondContact O-N 2.78Å; E526-R549 IonicContact OE1-CZ 3.19Å; E526-R549 IonicContact OE1-NE 3.78Å; E526-R549 IonicContact OE1-NH1 2.6Å; E526-R549 PolarHBondContact OE1-NH1 3.17Å; E526-R549 IonicContact OE1-NH2 3.5Å; E526-R549 PolarHBondContact OE1-NH2 3.33Å; E526-R549 WeakPolarHBondContact OE2-CD 3.48Å; E526-R549 IonicContact OE2-CZ 2.73Å; E526-R549 IonicContact OE2-NE 2.65Å; E526-R549 IonicContact OE2-NH1 2.66Å; E526-R549 PolarHBondContact OE2-NH1 2.9Å; E526-R549 IonicContact OE2-NH2 2.79Å; E547-R549 WeakPolarHBondContact O-CG 3.31Å; E547-R549 PolarHBondContact O-N 3.37Å; R549-N570 HydrophobicContact CG-CB 4.12Å; R549-G584 WeakPolarHBondContact O-CA 3.5Å; R549-G584 PolarHBondContact O-N 2.72Å
550	T	94.2	Very high	91.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.7	-179.9	-60.3	0	0	0	0	110.2	E526 E527 F528 F529 S583 G584	E526-T550 PolarHBondContact O-N 2.6Å; E527-T550 WeakPolarHBondContact OE1-CB 3.03Å; E527-T550 PolarHBondContact OE1-OG1 2.65Å; F528-T550 PolarHBondContact N-O 3.48Å; F529-T550 HydrophobicContact CE1-CG2 3.66Å; F529-T550 HydrophobicContact CZ-CG2 3.86Å; T550-S583 WeakPolarHBondContact OG1-CA 3.15Å; T550-G584 WeakPolarHBondContact CA-O 3.12Å; T550-G584 PolarHBondContact OG1-N 3.19Å
551	L	96.2	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	105.6	175.2	177.3	57.7	0	0	0	109.9	F528 L530 I542 L548 V553 L568 I571 G584 L585 W586	F528-L551 HydrophobicContact CB-CD1 4.16Å; F528-L551 HydrophobicContact CD1-CD1 4.19Å; F528-L551 HydrophobicContact CG-CD1 4.36Å; F528-L551 WeakPolarHBondContact O-CA 3.49Å; L530-L551 HydrophobicContact CD1-CD1 4.46Å; I542-L551 HydrophobicContact CD1-CD1 4.09Å; I542-L551 HydrophobicContact CD1-CD2 4.16Å; L548-L551 HydrophobicContact CD2-CB 3.98Å; L548-L551 HydrophobicContact CD2-CD1 4.3Å; L548-L551 HydrophobicContact CD2-CD2 4.24Å; L548-L551 HydrophobicContact CD2-CG 4.39Å; L551-V553 HydrophobicContact CD1-CG1 3.89Å; L551-V553 HydrophobicContact CG-CG1 4.2Å; L551-L568 HydrophobicContact CD2-CD1 4.41Å; L551-I571 HydrophobicContact CB-CD1 3.84Å; L551-G584 PolarHBondContact N-O 2.7Å; L551-L585 HydrophobicContact CB-CD1 4.06Å; L551-L585 HydrophobicContact CD2-CD1 3.98Å; L551-L585 HydrophobicContact CG-CD1 4.09Å; L551-L585 WeakPolarHBondContact O-CA 3.05Å; L551-W586 PolarHBondContact O-N 3.24Å
552	D	94.5	Very high	91.2	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	92.8	-178	175.6	32.4	0	0	0	112.8	F528 F529 L530 S531 S554 K582 W586	F528-D552 PolarHBondContact O-N 2.67Å; F529-D552 HydrophobicContact CD1-CB 3.83Å; L530-D552 CarbonylContact C-O 3.46Å; L530-D552 VanDerWaalsContact C-O 3.29Å; L530-D552 VanDerWaalsContact CA-O 3.3Å; L530-D552 WeakPolarHBondContact CA-O 3.03Å; L530-D552 WeakPolarHBondContact CB-O 3.5Å; L530-D552 PolarHBondContact N-O 3.47Å; S531-D552 WeakPolarHBondContact CB-OD1 3.21Å; S531-D552 WeakPolarHBondContact CB-OD2 3.38Å; S531-D552 PolarHBondContact N-O 3.47Å; S531-D552 PolarHBondContact OG-OD2 3.15Å; D552-S554 WeakPolarHBondContact OD1-CB 3.32Å; D552-S554 PolarHBondContact OD1-N 3.05Å; D552-S554 PolarHBondContact OD1-OG 3.5Å; D552-K582 HydrophobicContact CB-CD 4.31Å; D552-K582 VanDerWaalsContact CG-NZ 3.25Å; D552-K582 IonicContact OD1-NZ 3.23Å; D552-K582 PolarHBondContact OD1-NZ 2.9Å; D552-K582 VanDerWaalsContact OD2-CD 3.27Å; D552-K582 WeakPolarHBondContact OD2-CD 3.42Å; D552-K582 IonicContact OD2-NZ 3.51Å; D552-K582 PolarHBondContact OD2-NZ 2.6Å; D552-W586 HydrophobicContact CB-CB 4.22Å; D552-W586 HydrophobicContact CB-CG 4.47Å; D552-W586 VanDerWaalsContact OD1-CB 3.26Å; D552-W586 WeakPolarHBondContact OD1-CB 3.19Å
553	V	94.5	Very high	90.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.208	C	C	.	.			trans	-102.7	20.6	175.6	-62.7	0	0	0	0	112.1	L530 L538 L551 N556 L558 W586 L587 N590	L530-V553 HydrophobicContact CB-CG1 4.12Å; L530-V553 HydrophobicContact CD1-CG1 3.95Å; L538-V553 HydrophobicContact CD1-CG1 4.3Å; L538-V553 HydrophobicContact CD2-CG1 4.1Å; L551-V553 HydrophobicContact CD1-CG1 3.89Å; L551-V553 HydrophobicContact CG-CG1 4.2Å; V553-N556 PolarHBondContact O-ND2 2.86Å; V553-L558 HydrophobicContact CB-CD1 3.99Å; V553-L558 HydrophobicContact CG2-CD1 3.73Å; V553-W586 CarbonylContact C-O 3.52Å; V553-W586 WeakPolarHBondContact CG2-O 3.17Å; V553-W586 PolarHBondContact N-O 3.38Å; V553-W586 VanDerWaalsContact N-O 3.08Å; V553-L587 HydrophobicContact CG2-CD2 3.74Å; V553-N590 PolarHBondContact O-ND2 2.78Å
554	S	87.4	Confident	90.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	22%	0.221	C	C	.	.			trans	-63.4	146.1	-177.2	57.7	0	0	0	0	113.2	S531 E532 D552 K582 W586 Q588	S531-S554 CarbonylContact C-O 3.53Å; S531-S554 WeakPolarHBondContact CA-O 3.44Å; S531-S554 WeakPolarHBondContact CB-O 3.34Å; S531-S554 VanDerWaalsContact CB-OG 3.3Å; S531-S554 WeakPolarHBondContact CB-OG 3.26Å; E532-S554 PolarHBondContact N-O 2.91Å; D552-S554 WeakPolarHBondContact OD1-CB 3.32Å; D552-S554 PolarHBondContact OD1-N 3.05Å; D552-S554 PolarHBondContact OD1-OG 3.5Å; S554-K582 PolarHBondContact OG-NZ 3.13Å; S554-K582 VanDerWaalsContact OG-NZ 3.17Å; S554-W586 PolarHBondContact N-O 3.24Å; S554-W586 VanDerWaalsContact N-O 3.13Å; S554-Q588 CarbonylContact C-O 3.56Å; S554-Q588 WeakPolarHBondContact CA-O 3.41Å; S554-Q588 WeakPolarHBondContact CB-O 3.26Å
555	Y	86.6	Confident	90.4	Very high	108 Å²	108	42.4 Å²	42.4	42%	0.424	20%	0.196	S	C	.	.	S	Bend	trans	57.5	50.5	-177.1	-51.7	-79.8	0	0	0	113.7	E532 N533 Q588	E532-Y555 WeakPolarHBondContact CA-O 3.27Å; E532-Y555 HydrophobicContact CG-CD2 4.42Å; N533-Y555 PolarHBondContact N-O 3.29Å; Y555-Q588 PolarHBondContact N-O 3.08Å; Y555-Q588 PolarHBondContact OH-NE2 3.24Å
556	N	90.4	Very high	90.1	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.027	20%	0.203	C	C	.	.	S	Bend	trans	-113.9	-163.5	168.6	-84	-79	0	0	0	110.3	L530 N533 K534 L535 V553 L558 N590	L530-N556 PolarHBondContact O-ND2 2.83Å; N533-N556 VanDerWaalsContact CA-OD1 3.32Å; N533-N556 WeakPolarHBondContact CA-OD1 3.32Å; N533-N556 WeakPolarHBondContact CB-OD1 3.31Å; K534-N556 PolarHBondContact N-OD1 2.79Å; L535-N556 HydrophobicContact CB-CB 4.1Å; L535-N556 WeakPolarHBondContact CB-OD1 3.37Å; L535-N556 WeakPolarHBondContact CG-OD1 3.45Å; L535-N556 PolarHBondContact N-OD1 3.1Å; V553-N556 PolarHBondContact O-ND2 2.86Å; N556-L558 HydrophobicContact CB-CG 4.31Å; N556-N590 VanDerWaalsContact CA-OD1 3.29Å; N556-N590 WeakPolarHBondContact CA-OD1 3.3Å; N556-N590 WeakPolarHBondContact CB-OD1 3.5Å; N556-N590 PolarHBondContact N-OD1 3.29Å; N556-N590 PolarHBondContact O-OD1 3.05Å
557	Q	89.5	Confident	90	Very high	93 Å²	93	40.6 Å²	40.6	44%	0.435	19%	0.19	S	C	.	.			trans	-116.5	23.2	-177.6	-59	-171.3	-9.8	0	0	112.6	L535 T536 S559 N590	L535-Q557 CarbonylContact O-C 3.34Å; L535-Q557 VanDerWaalsContact O-CA 3.24Å; L535-Q557 WeakPolarHBondContact O-CA 3.47Å; L535-Q557 PolarHBondContact O-N 2.98Å; T536-Q557 HydrophobicContact CG2-CB 4.32Å; Q557-S559 PolarHBondContact O-N 2.84Å; Q557-N590 PolarHBondContact N-OD1 3.25Å
558	L	88.7	Confident	89.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.171	C	C	.	.			trans	-64.6	117.6	-177.1	-55.5	175.1	0	0	0	111.6	L535 S537 L538 V553 N556 L561 N590 P591 L592	L535-L558 HydrophobicContact CB-CD2 4.04Å; L535-L558 WeakPolarHBondContact O-CD2 3.43Å; L535-L558 PolarHBondContact O-N 3.03Å; L535-L558 VanDerWaalsContact O-N 3.14Å; S537-L558 VanDerWaalsContact C-CD2 3.48Å; S537-L558 VanDerWaalsContact CA-CD2 3.49Å; L538-L558 HydrophobicContact CD1-CD1 4.17Å; L538-L558 HydrophobicContact CD2-CD1 4.4Å; L538-L558 HydrophobicContact CD2-CD2 4.17Å; L538-L558 HydrophobicContact CG-CD1 4.14Å; L538-L558 HydrophobicContact CG-CD2 3.97Å; V553-L558 HydrophobicContact CB-CD1 3.99Å; V553-L558 HydrophobicContact CG2-CD1 3.73Å; N556-L558 HydrophobicContact CB-CG 4.31Å; L558-L561 HydrophobicContact CD1-CD2 4.02Å; L558-N590 HydrophobicContact CB-CB 4.07Å; L558-N590 WeakPolarHBondContact CB-OD1 3.3Å; L558-N590 VanDerWaalsContact CG-OD1 3.31Å; L558-N590 WeakPolarHBondContact CG-OD1 3.16Å; L558-N590 PolarHBondContact N-OD1 3.18Å; L558-P591 CarbonylContact O-C 3.49Å; L558-P591 VanDerWaalsContact O-CD 3.3Å; L558-P591 WeakPolarHBondContact O-CD 3.35Å; L558-L592 HydrophobicContact CB-CD2 4.24Å; L558-L592 WeakPolarHBondContact O-CD2 3.24Å; L558-L592 PolarHBondContact O-N 3.03Å
559	S	83	Confident	89.4	Confident	45 Å²	45	43.8 Å²	43.8	32%	0.315	20%	0.203	S	C	.	.	S	Bend	trans	-87.7	-27.7	172.8	54.3	0	0	0	0	113.5	Q557 L592 T593	Q557-S559 PolarHBondContact O-N 2.84Å; S559-L592 WeakPolarHBondContact O-CA 3.43Å; S559-T593 PolarHBondContact O-N 2.79Å; S559-T593 PolarHBondContact O-OG1 2.96Å
560	E	85	Confident	89.2	Confident	86 Å²	86	41.4 Å²	41.4	40%	0.402	20%	0.198	S	C	.	.			trans	-144.1	166.4	-178.4	58.3	-159.7	-167.2	0	0	109.8	K969	E560-K969 IonicContact OE2-NZ 2.71Å; E560-K969 PolarHBondContact OE2-NZ 2.51Å
561	L	88.8	Confident	89.1	Confident	16 Å²	16	41.3 Å²	41.3	8%	0.084	20%	0.198	C	C	.	.			trans	-120.2	155.2	175.2	-61.8	179.8	0	0	0	109	L538 L558 E563 L565 L587 L592 I595	L538-L561 HydrophobicContact CD1-CD2 4.34Å; L558-L561 HydrophobicContact CD1-CD2 4.02Å; L561-E563 PolarHBondContact O-N 3.14Å; L561-L565 HydrophobicContact CB-CD2 4.16Å; L561-L565 HydrophobicContact CD1-CD2 3.91Å; L561-L565 HydrophobicContact CG-CD2 4.43Å; L561-L587 HydrophobicContact CD1-CD1 3.87Å; L561-L587 HydrophobicContact CD1-CD2 3.76Å; L561-L587 HydrophobicContact CD2-CD2 3.76Å; L561-L587 HydrophobicContact CG-CD2 4.37Å; L561-L592 HydrophobicContact CD2-CD2 4.16Å; L561-L592 HydrophobicContact CG-CD2 4.03Å; L561-I595 HydrophobicContact CB-CD1 4.05Å; L561-I595 HydrophobicContact CD1-CD1 3.57Å; L561-I595 HydrophobicContact CG-CD1 3.77Å
562	P	89.6	Confident	88.5	Confident	7 Å²	7	47.6 Å²	47.6	5%	0.045	23%	0.227	C	C	.	.			trans	-55.6	137.9	173.1	-24.5	34.5	0	0	0	111.5	L538 I542 D564 L565	L538-P562 HydrophobicContact CB-CG 3.99Å; I542-P562 HydrophobicContact CG2-CG 4.36Å; P562-D564 VanDerWaalsContact C-N 3.28Å; P562-D564 PolarHBondContact O-N 2.83Å; P562-L565 HydrophobicContact CB-CB 4.47Å; P562-L565 VanDerWaalsContact O-CB 3.26Å; P562-L565 WeakPolarHBondContact O-CB 3.14Å; P562-L565 PolarHBondContact O-N 2.86Å; P562-L565 VanDerWaalsContact O-N 3.15Å
563	E	81.8	Confident	88	Confident	123 Å²	123	49.3 Å²	49.3	58%	0.575	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-59.7	-42.7	178.2	-62.4	-179.3	168.7	0	0	110.3	L561 L565 Y566	L561-E563 PolarHBondContact O-N 3.14Å; E563-L565 PolarHBondContact O-N 3.39Å; E563-Y566 VanDerWaalsContact O-CD1 3.26Å; E563-Y566 WeakPolarHBondContact O-CD1 3.48Å
564	D	89.3	Confident	87.4	Confident	56 Å²	56	49.5 Å²	49.5	30%	0.299	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-66.4	-1.9	177.2	-57.7	-61	0	0	0	115.5	N540 C543 P562 Y566 L567	N540-D564 PolarHBondContact ND2-OD2 2.92Å; N540-D564 VanDerWaalsContact ND2-OD2 3.15Å; C543-D564 HydrophobicContact CB-CB 3.76Å; C543-D564 WeakPolarHBondContact CB-O 3.08Å; C543-D564 VanDerWaalsContact SG-C 3.58Å; P562-D564 VanDerWaalsContact C-N 3.28Å; P562-D564 PolarHBondContact O-N 2.83Å; D564-Y566 PolarHBondContact O-N 2.99Å; D564-L567 HydrophobicContact CB-CD1 4.06Å; D564-L567 WeakPolarHBondContact O-CB 3.45Å; D564-L567 VanDerWaalsContact O-CG 3.27Å; D564-L567 WeakPolarHBondContact O-CG 3.33Å; D564-L567 PolarHBondContact O-N 3.48Å
565	L	91	Very high	86.9	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-62.9	-20.7	-171.1	-164.4	72.4	0	0	0	113.1	I542 C543 L561 P562 E563 L567 L568 W609 L612	I542-L565 HydrophobicContact CG2-CD1 4.02Å; C543-L565 VanDerWaalsContact SG-CA 3.58Å; L561-L565 HydrophobicContact CB-CD2 4.16Å; L561-L565 HydrophobicContact CD1-CD2 3.91Å; L561-L565 HydrophobicContact CG-CD2 4.43Å; P562-L565 HydrophobicContact CB-CB 4.47Å; P562-L565 VanDerWaalsContact O-CB 3.26Å; P562-L565 WeakPolarHBondContact O-CB 3.14Å; P562-L565 PolarHBondContact O-N 2.86Å; P562-L565 VanDerWaalsContact O-N 3.15Å; E563-L565 PolarHBondContact O-N 3.39Å; L565-L567 PolarHBondContact O-N 2.86Å; L565-L568 HydrophobicContact CD1-CD1 3.57Å; L565-L568 HydrophobicContact CD1-CG 4.5Å; L565-L568 HydrophobicContact CG-CD1 4.27Å; L565-L568 PolarHBondContact O-N 2.84Å; L565-W609 HydrophobicContact CB-CZ3 4.29Å; L565-W609 HydrophobicContact CD2-CH2 4.4Å; L565-W609 HydrophobicContact CD2-CZ3 4.09Å; L565-W609 HydrophobicContact CG-CH2 4.19Å; L565-W609 HydrophobicContact CG-CZ3 3.95Å; L565-W609 WeakPolarHBondContact O-CZ3 3.3Å; L565-L612 HydrophobicContact CB-CD1 3.89Å
566	Y	87.5	Confident	86.2	Confident	40 Å²	40	48.6 Å²	48.6	16%	0.157	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-65.4	-12.4	173.7	75.8	-97.4	0	0	0	114.4	E563 D564 L568 L612 E613 E616	E563-Y566 VanDerWaalsContact O-CD1 3.26Å; E563-Y566 WeakPolarHBondContact O-CD1 3.48Å; D564-Y566 PolarHBondContact O-N 2.99Å; Y566-L568 PolarHBondContact O-N 2.89Å; Y566-L612 HydrophobicContact CD1-CB 4.12Å; Y566-E613 HydrophobicContact CD1-CB 4.39Å; Y566-E613 HydrophobicContact CE1-CB 4.48Å; Y566-E613 HydrophobicContact CG-CB 4.42Å; Y566-E616 WeakPolarHBondContact CE1-OE2 3.11Å; Y566-E616 PolarHBondContact OH-OE2 3.18Å
567	L	89.5	Confident	85.1	Confident	72 Å²	72	52.6 Å²	52.6	38%	0.377	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-70.2	-16.2	175.5	-62.8	179.3	0	0	0	113.2	D564 L565 K569	D564-L567 HydrophobicContact CB-CD1 4.06Å; D564-L567 WeakPolarHBondContact O-CB 3.45Å; D564-L567 VanDerWaalsContact O-CG 3.27Å; D564-L567 WeakPolarHBondContact O-CG 3.33Å; D564-L567 PolarHBondContact O-N 3.48Å; L565-L567 PolarHBondContact O-N 2.86Å; L567-K569 PolarHBondContact O-N 2.83Å
568	L	91.7	Very high	83.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.263	C	S	.	.			trans	-77.2	60.1	179.2	-60.9	-179.5	0	0	0	112.5	L545 L548 L551 L565 Y566 N570 I571	L545-L568 VanDerWaalsContact O-CD2 3.29Å; L545-L568 WeakPolarHBondContact O-CD2 3.49Å; L548-L568 HydrophobicContact CD2-CD1 4.25Å; L551-L568 HydrophobicContact CD2-CD1 4.41Å; L565-L568 HydrophobicContact CD1-CD1 3.57Å; L565-L568 HydrophobicContact CD1-CG 4.5Å; L565-L568 HydrophobicContact CG-CD1 4.27Å; L565-L568 PolarHBondContact O-N 2.84Å; Y566-L568 PolarHBondContact O-N 2.89Å; L568-N570 PolarHBondContact O-N 3Å; L568-N570 VanDerWaalsContact O-N 3.12Å; L568-I571 HydrophobicContact CB-CD1 3.98Å; L568-I571 HydrophobicContact CB-CG1 4.15Å; L568-I571 HydrophobicContact CD1-CD1 3.94Å; L568-I571 WeakPolarHBondContact O-CB 3.48Å; L568-I571 PolarHBondContact O-N 3.21Å
569	K	84.8	Confident	82.2	Confident	153 Å²	153	57 Å²	57	67%	0.665	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.9	-170.1	-66.1	176.9	-175.6	-178.2	0	114.9	L567 I571	L567-K569 PolarHBondContact O-N 2.83Å; K569-I571 VanDerWaalsContact C-N 3.28Å
570	N	89.9	Confident	80.8	Confident	59 Å²	59	61.4 Å²	61.4	32%	0.316	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.8	172.5	-78.5	4	0	0	0	112.6	K546 E547 L548 R549 L568 Q572	K546-N570 PolarHBondContact O-ND2 2.83Å; E547-N570 WeakPolarHBondContact CA-ND2 3.29Å; E547-N570 PolarHBondContact O-ND2 3.42Å; E547-N570 PolarHBondContact OE2-ND2 3.3Å; L548-N570 WeakPolarHBondContact O-CB 3.35Å; R549-N570 HydrophobicContact CG-CB 4.12Å; L568-N570 PolarHBondContact O-N 3Å; L568-N570 VanDerWaalsContact O-N 3.12Å; N570-Q572 PolarHBondContact O-N 3.15Å; N570-Q572 VanDerWaalsContact O-N 3.11Å
571	I	91.2	Very high	79.6	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.			trans	-84.1	84	175	-48.7	-174.7	0	0	0	110.3	L548 L551 L568 K569 L585 T605 W609	L548-I571 HydrophobicContact CB-CD1 4.43Å; L548-I571 HydrophobicContact CD2-CD1 4.1Å; L548-I571 HydrophobicContact CG-CD1 4.13Å; L548-I571 WeakPolarHBondContact O-CG1 3.26Å; L551-I571 HydrophobicContact CB-CD1 3.84Å; L568-I571 HydrophobicContact CB-CD1 3.98Å; L568-I571 HydrophobicContact CB-CG1 4.15Å; L568-I571 HydrophobicContact CD1-CD1 3.94Å; L568-I571 WeakPolarHBondContact O-CB 3.48Å; L568-I571 PolarHBondContact O-N 3.21Å; K569-I571 VanDerWaalsContact C-N 3.28Å; I571-L585 HydrophobicContact CG2-CB 3.82Å; I571-T605 HydrophobicContact CG2-CG2 4.49Å; I571-T605 PolarHBondContact O-OG1 3.44Å; I571-W609 HydrophobicContact CB-CZ2 4.11Å; I571-W609 HydrophobicContact CG2-CZ2 4.33Å; I571-W609 PolarHBondContact O-NE1 3.07Å
572	Q	84.5	Confident	79.1	Confident	131 Å²	131	62.4 Å²	62.4	61%	0.612	31%	0.311	S	S	*	.			trans	-85.7	-19.6	-175.5	-61.6	-178.9	4.8	0	0	114.9	N570 T605	N570-Q572 PolarHBondContact O-N 3.15Å; N570-Q572 VanDerWaalsContact O-N 3.11Å; Q572-T605 PolarHBondContact O-OG1 3.2Å; Q572-T605 VanDerWaalsContact O-OG1 3.1Å
573	T	84.2	Confident	78.7	Confident	40 Å²	40	62.1 Å²	62.1	25%	0.245	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-129.6	158.6	-175.1	58.8	0	0	0	0	111.2	L576 G584 L585 I603 T605	T573-L576 HydrophobicContact CG2-CD2 3.97Å; T573-G584 CarbonylContact O-C 3.56Å; T573-G584 WeakPolarHBondContact O-CA 3.41Å; T573-L585 PolarHBondContact O-N 3.02Å; T573-I603 CarbonylContact C-O 3.15Å; T573-I603 VanDerWaalsContact CA-O 3.3Å; T573-I603 WeakPolarHBondContact CA-O 3.26Å; T573-T605 VanDerWaalsContact C-CG2 3.46Å; T573-T605 WeakPolarHBondContact O-CG2 3.38Å
574	S	81.9	Confident	79	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.028	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-130.9	143.8	176.8	38.2	0	0	0	0	110.2	L576 L585 T602 I603	S574-L576 PolarHBondContact O-N 2.82Å; S574-L576 VanDerWaalsContact O-N 3.12Å; S574-L585 CarbonylContact C-O 3.37Å; S574-L585 WeakPolarHBondContact CA-O 3.44Å; S574-L585 WeakPolarHBondContact CB-O 3.39Å; S574-T602 PolarHBondContact OG-O 3.46Å; S574-I603 PolarHBondContact N-O 3.3Å; S574-I603 WeakPolarHBondContact O-CA 3.47Å; S574-I603 PolarHBondContact OG-O 3.2Å
575	H	76.4	Confident	79.2	Confident	40 Å²	40	53.8 Å²	53.8	19%	0.185	27%	0.269	C	S	.	.	S	Bend	trans	56.4	25.3	178.9	-66.1	-64	0	0	0	115.8	L585 W586 L587 Q588 W600	H575-L585 PolarHBondContact N-O 3.04Å; H575-W586 HydrophobicContact CB-CH2 4.49Å; H575-W586 HydrophobicContact CB-CZ3 4.48Å; H575-W586 AromaticContact CE1-CE3 3.91Å; H575-W586 AromaticContact ND1-CD2 3.62Å; H575-W586 AromaticContact ND1-CE3 3.2Å; H575-W586 AromaticContact ND1-CZ3 3.65Å; H575-L587 PolarHBondContact CE1-N 3.38Å; H575-L587 PolarHBondContact NE2-N 2.91Å; H575-Q588 PolarHBondContact CE1-N 2.89Å; H575-W600 AromaticContact NE2-CE3 3.95Å; H575-W600 AromaticContact NE2-CZ3 3.82Å
576	L	72.4	Confident	79.1	Confident	49 Å²	49	54.3 Å²	54.3	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.5	-178.4	-179.8	64	0	0	0	112	T573 S574 S583	T573-L576 HydrophobicContact CG2-CD2 3.97Å; S574-L576 PolarHBondContact O-N 2.82Å; S574-L576 VanDerWaalsContact O-N 3.12Å; L576-S583 PolarHBondContact O-N 3.1Å; L576-S583 VanDerWaalsContact O-O 3.06Å; L576-S583 PolarHBondContact O-OG 3.11Å
577	Y	66	Low	79.1	Confident	89 Å²	89	52.5 Å²	52.5	35%	0.349	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.4	164	-73.6	-80.1	0	0	0	110.6	N581 K582 W586 M1302	Y577-N581 CarbonylContact C-O 3.48Å; Y577-N581 VanDerWaalsContact CA-O 3.31Å; Y577-N581 WeakPolarHBondContact CA-O 3.47Å; Y577-K582 HydrophobicContact CD1-CG 4.35Å; Y577-K582 HydrophobicContact CE1-CG 3.79Å; Y577-W586 AromaticContact CD2-CH2 3.83Å; Y577-W586 HydrophobicContact CD2-CH2 3.83Å; Y577-W586 HydrophobicContact CD2-CZ2 4.27Å; Y577-W586 HydrophobicContact CE1-CH2 4.27Å; Y577-W586 AromaticContact CE2-CH2 3.45Å; Y577-W586 HydrophobicContact CE2-CH2 3.45Å; Y577-W586 VanDerWaalsContact CE2-CH2 3.45Å; Y577-W586 HydrophobicContact CE2-CZ2 4.25Å; Y577-W586 HydrophobicContact CE2-CZ3 4.27Å; Y577-W586 HydrophobicContact CG-CH2 4.4Å; Y577-W586 HydrophobicContact CG-CZ2 4.45Å; Y577-W586 AromaticContact CZ-CH2 3.68Å; Y577-M1302 HydrophobicContact CD2-CE 3.75Å; Y577-M1302 HydrophobicContact CD2-CG 4.28Å; Y577-M1302 HydrophobicContact CD2-SD 4.45Å; Y577-M1302 HydrophobicContact CE2-CE 3.92Å; Y577-M1302 HydrophobicContact CE2-CG 3.97Å; Y577-M1302 HydrophobicContact CE2-SD 4.06Å
578	K	59.5	Low	78.6	Confident	139 Å²	139	53 Å²	53	60%	0.604	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	107.7	164.6	-75.1	175.7	-174.5	177.4	0	107.2	L580 N581 S583	K578-L580 PolarHBondContact O-N 3.24Å; K578-N581 PolarHBondContact N-O 3.21Å; K578-N581 PolarHBondContact O-N 2.66Å; K578-S583 WeakPolarHBondContact CG-OG 3.4Å
579	G	59.2	Low	77.7	Confident	46 Å²	46	55.1 Å²	55.1	47%	0.474	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	-123.2	-165.5	0	0	0	0	0	110.4
580	L	51.8	Low	77.4	Confident	139 Å²	139	48.5 Å²	48.5	73%	0.728	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-11.7	173.7	-63.1	177.2	0	0	0	114	K578	K578-L580 PolarHBondContact O-N 3.24Å
581	N	61.4	Low	76.8	Confident	77 Å²	77	49.2 Å²	49.2	41%	0.412	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	138.6	-174	-66	-8.7	0	0	0	111	Y577 K578	Y577-N581 CarbonylContact C-O 3.48Å; Y577-N581 VanDerWaalsContact CA-O 3.31Å; Y577-N581 WeakPolarHBondContact CA-O 3.47Å; K578-N581 PolarHBondContact N-O 3.21Å; K578-N581 PolarHBondContact O-N 2.66Å
582	K	77.2	Confident	76	Confident	45 Å²	45	50.2 Å²	50.2	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	140.1	165.6	-70	-176.1	-173.7	177.3	0	108.8	F529 S531 D552 S554 Y577 W586	F529-K582 HydrophobicContact CE1-CB 4.28Å; S531-K582 PolarHBondContact OG-NZ 3.06Å; D552-K582 HydrophobicContact CB-CD 4.31Å; D552-K582 VanDerWaalsContact CG-NZ 3.25Å; D552-K582 IonicContact OD1-NZ 3.23Å; D552-K582 PolarHBondContact OD1-NZ 2.9Å; D552-K582 VanDerWaalsContact OD2-CD 3.27Å; D552-K582 WeakPolarHBondContact OD2-CD 3.42Å; D552-K582 IonicContact OD2-NZ 3.51Å; D552-K582 PolarHBondContact OD2-NZ 2.6Å; S554-K582 PolarHBondContact OG-NZ 3.13Å; S554-K582 VanDerWaalsContact OG-NZ 3.17Å; Y577-K582 HydrophobicContact CD1-CG 4.35Å; Y577-K582 HydrophobicContact CE1-CG 3.79Å; K582-W586 HydrophobicContact CB-CD2 4.49Å; K582-W586 HydrophobicContact CB-CZ2 4.06Å; K582-W586 HydrophobicContact CD-CD2 3.92Å; K582-W586 HydrophobicContact CD-CE3 4.19Å; K582-W586 HydrophobicContact CD-CG 4.29Å; K582-W586 HydrophobicContact CD-CZ2 4.44Å; K582-W586 HydrophobicContact CG-CD2 4.22Å; K582-W586 HydrophobicContact CG-CH2 4.28Å; K582-W586 HydrophobicContact CG-CZ2 3.84Å
583	S	81.3	Confident	75.2	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.6	173.6	69.1	0	0	0	0	111.3	T550 L576 K578 W586	T550-S583 WeakPolarHBondContact OG1-CA 3.15Å; L576-S583 PolarHBondContact O-N 3.1Å; L576-S583 VanDerWaalsContact O-O 3.06Å; L576-S583 PolarHBondContact O-OG 3.11Å; K578-S583 WeakPolarHBondContact CG-OG 3.4Å; S583-W586 PolarHBondContact O-NE1 2.95Å
584	G	89.1	Confident	74.3	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.9	-157.4	-179.3	0	0	0	0	0	113.6	R549 T550 L551 T573	R549-G584 WeakPolarHBondContact O-CA 3.5Å; R549-G584 PolarHBondContact O-N 2.72Å; T550-G584 WeakPolarHBondContact CA-O 3.12Å; T550-G584 PolarHBondContact OG1-N 3.19Å; L551-G584 PolarHBondContact N-O 2.7Å; T573-G584 CarbonylContact O-C 3.56Å; T573-G584 WeakPolarHBondContact O-CA 3.41Å
585	L	92.4	Very high	73.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.1	-177.4	-171.3	63.1	0	0	0	112.6	L551 I571 T573 S574 H575 L587 T605 L608 W609	L551-L585 HydrophobicContact CB-CD1 4.06Å; L551-L585 HydrophobicContact CD2-CD1 3.98Å; L551-L585 HydrophobicContact CG-CD1 4.09Å; L551-L585 WeakPolarHBondContact O-CA 3.05Å; I571-L585 HydrophobicContact CG2-CB 3.82Å; T573-L585 PolarHBondContact O-N 3.02Å; S574-L585 CarbonylContact C-O 3.37Å; S574-L585 WeakPolarHBondContact CA-O 3.44Å; S574-L585 WeakPolarHBondContact CB-O 3.39Å; H575-L585 PolarHBondContact N-O 3.04Å; L585-L587 HydrophobicContact CD1-CG 4.46Å; L585-L587 HydrophobicContact CD2-CD1 3.74Å; L585-L587 HydrophobicContact CD2-CG 4.17Å; L585-L587 HydrophobicContact CG-CD1 4.17Å; L585-L587 HydrophobicContact CG-CG 4.05Å; L585-T605 HydrophobicContact CB-CG2 4.26Å; L585-L608 HydrophobicContact CD2-CD2 3.41Å; L585-L608 VanDerWaalsContact CD2-CD2 3.41Å; L585-W609 HydrophobicContact CD2-CH2 3.83Å; L585-W609 HydrophobicContact CD2-CZ2 4.49Å; L585-W609 HydrophobicContact CD2-CZ3 4.32Å
586	W	90	Very high	73.1	Confident	13 Å²	13	46 Å²	46	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	110.1	174.8	-65.4	68.3	0	0	0	112.3	L551 D552 V553 S554 H575 Y577 K582 S583	L551-W586 PolarHBondContact O-N 3.24Å; D552-W586 HydrophobicContact CB-CB 4.22Å; D552-W586 HydrophobicContact CB-CG 4.47Å; D552-W586 VanDerWaalsContact OD1-CB 3.26Å; D552-W586 WeakPolarHBondContact OD1-CB 3.19Å; V553-W586 CarbonylContact C-O 3.52Å; V553-W586 WeakPolarHBondContact CG2-O 3.17Å; V553-W586 PolarHBondContact N-O 3.38Å; V553-W586 VanDerWaalsContact N-O 3.08Å; S554-W586 PolarHBondContact N-O 3.24Å; S554-W586 VanDerWaalsContact N-O 3.13Å; H575-W586 HydrophobicContact CB-CH2 4.49Å; H575-W586 HydrophobicContact CB-CZ3 4.48Å; H575-W586 AromaticContact CE1-CE3 3.91Å; H575-W586 AromaticContact ND1-CD2 3.62Å; H575-W586 AromaticContact ND1-CE3 3.2Å; H575-W586 AromaticContact ND1-CZ3 3.65Å; Y577-W586 AromaticContact CD2-CH2 3.83Å; Y577-W586 HydrophobicContact CD2-CH2 3.83Å; Y577-W586 HydrophobicContact CD2-CZ2 4.27Å; Y577-W586 HydrophobicContact CE1-CH2 4.27Å; Y577-W586 AromaticContact CE2-CH2 3.45Å; Y577-W586 HydrophobicContact CE2-CH2 3.45Å; Y577-W586 VanDerWaalsContact CE2-CH2 3.45Å; Y577-W586 HydrophobicContact CE2-CZ2 4.25Å; Y577-W586 HydrophobicContact CE2-CZ3 4.27Å; Y577-W586 HydrophobicContact CG-CH2 4.4Å; Y577-W586 HydrophobicContact CG-CZ2 4.45Å; Y577-W586 AromaticContact CZ-CH2 3.68Å; K582-W586 HydrophobicContact CB-CD2 4.49Å; K582-W586 HydrophobicContact CB-CZ2 4.06Å; K582-W586 HydrophobicContact CD-CD2 3.92Å; K582-W586 HydrophobicContact CD-CE3 4.19Å; K582-W586 HydrophobicContact CD-CG 4.29Å; K582-W586 HydrophobicContact CD-CZ2 4.44Å; K582-W586 HydrophobicContact CG-CD2 4.22Å; K582-W586 HydrophobicContact CG-CH2 4.28Å; K582-W586 HydrophobicContact CG-CZ2 3.84Å; S583-W586 PolarHBondContact O-NE1 2.95Å
587	L	86.3	Confident	72.7	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.268	C	S	.	.			trans	-109.1	-5.9	-177.1	-69.1	166.2	0	0	0	114.1	V553 L561 H575 L585 G589 N590 L592 W600 L608	V553-L587 HydrophobicContact CG2-CD2 3.74Å; L561-L587 HydrophobicContact CD1-CD1 3.87Å; L561-L587 HydrophobicContact CD1-CD2 3.76Å; L561-L587 HydrophobicContact CD2-CD2 3.76Å; L561-L587 HydrophobicContact CG-CD2 4.37Å; H575-L587 PolarHBondContact CE1-N 3.38Å; H575-L587 PolarHBondContact NE2-N 2.91Å; L585-L587 HydrophobicContact CD1-CG 4.46Å; L585-L587 HydrophobicContact CD2-CD1 3.74Å; L585-L587 HydrophobicContact CD2-CG 4.17Å; L585-L587 HydrophobicContact CG-CD1 4.17Å; L585-L587 HydrophobicContact CG-CG 4.05Å; L587-G589 PolarHBondContact O-N 2.86Å; L587-N590 WeakPolarHBondContact O-CB 3.18Å; L587-N590 PolarHBondContact O-N 3.16Å; L587-N590 PolarHBondContact O-ND2 3.31Å; L587-L592 HydrophobicContact CB-CD1 4.19Å; L587-L592 HydrophobicContact CD1-CD1 4.4Å; L587-L592 HydrophobicContact CD2-CD1 4.35Å; L587-W600 HydrophobicContact CB-CD2 4.17Å; L587-W600 HydrophobicContact CB-CE3 3.6Å; L587-W600 HydrophobicContact CB-CZ3 3.89Å; L587-W600 HydrophobicContact CD1-CB 3.77Å; L587-W600 HydrophobicContact CD1-CE3 4.47Å; L587-W600 HydrophobicContact CD1-CG 4.31Å; L587-L608 HydrophobicContact CD1-CD2 3.85Å
588	Q	79.3	Confident	72.3	Confident	83 Å²	83	45.2 Å²	45.2	39%	0.388	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	133.6	-173.2	173.3	168.9	-20.7	0	0	112.6	S554 Y555 H575 W600	S554-Q588 CarbonylContact C-O 3.56Å; S554-Q588 WeakPolarHBondContact CA-O 3.41Å; S554-Q588 WeakPolarHBondContact CB-O 3.26Å; Y555-Q588 PolarHBondContact N-O 3.08Å; Y555-Q588 PolarHBondContact OH-NE2 3.24Å; H575-Q588 PolarHBondContact CE1-N 2.89Å; Q588-W600 HydrophobicContact CB-CZ3 4.37Å
589	G	72.7	Confident	72.7	Confident	43 Å²	43	38.8 Å²	38.8	44%	0.443	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	1.8	177.7	0	0	0	0	0	114.9	L587	L587-G589 PolarHBondContact O-N 2.86Å
590	N	78.1	Confident	73.3	Confident	14 Å²	14	37.3 Å²	37.3	8%	0.075	21%	0.211	C	C	.	.			trans	-88.5	144.7	170.9	-72.8	-75.8	0	0	0	112.3	V553 N556 Q557 L558 L587 L592	V553-N590 PolarHBondContact O-ND2 2.78Å; N556-N590 VanDerWaalsContact CA-OD1 3.29Å; N556-N590 WeakPolarHBondContact CA-OD1 3.3Å; N556-N590 WeakPolarHBondContact CB-OD1 3.5Å; N556-N590 PolarHBondContact N-OD1 3.29Å; N556-N590 PolarHBondContact O-OD1 3.05Å; Q557-N590 PolarHBondContact N-OD1 3.25Å; L558-N590 HydrophobicContact CB-CB 4.07Å; L558-N590 WeakPolarHBondContact CB-OD1 3.3Å; L558-N590 VanDerWaalsContact CG-OD1 3.31Å; L558-N590 WeakPolarHBondContact CG-OD1 3.16Å; L558-N590 PolarHBondContact N-OD1 3.18Å; L587-N590 WeakPolarHBondContact O-CB 3.18Å; L587-N590 PolarHBondContact O-N 3.16Å; L587-N590 PolarHBondContact O-ND2 3.31Å; N590-L592 HydrophobicContact CB-CD1 4.5Å; N590-L592 HydrophobicContact CB-CG 4.03Å; N590-L592 PolarHBondContact O-N 3.22Å
591	P	77	Confident	74	Confident	74 Å²	74	35.5 Å²	35.5	48%	0.481	20%	0.197	S	C	.	.			trans	-79.7	49.6	176.7	36.6	-38.7	0	0	0	112.8	L558 T593	L558-P591 CarbonylContact O-C 3.49Å; L558-P591 VanDerWaalsContact O-CD 3.3Å; L558-P591 WeakPolarHBondContact O-CD 3.35Å; P591-T593 PolarHBondContact O-N 3.04Å; P591-T593 VanDerWaalsContact O-N 3.1Å
592	L	75.5	Confident	74.2	Confident	22 Å²	22	33.2 Å²	33.2	12%	0.115	19%	0.186	C	C	.	.			trans	-62.6	111.4	-178.3	-68	170.6	0	0	0	111	L558 S559 L561 L587 N590 W600	L558-L592 HydrophobicContact CB-CD2 4.24Å; L558-L592 WeakPolarHBondContact O-CD2 3.24Å; L558-L592 PolarHBondContact O-N 3.03Å; S559-L592 WeakPolarHBondContact O-CA 3.43Å; L561-L592 HydrophobicContact CD2-CD2 4.16Å; L561-L592 HydrophobicContact CG-CD2 4.03Å; L587-L592 HydrophobicContact CB-CD1 4.19Å; L587-L592 HydrophobicContact CD1-CD1 4.4Å; L587-L592 HydrophobicContact CD2-CD1 4.35Å; N590-L592 HydrophobicContact CB-CD1 4.5Å; N590-L592 HydrophobicContact CB-CG 4.03Å; N590-L592 PolarHBondContact O-N 3.22Å; L592-W600 HydrophobicContact CD1-CD2 4.15Å; L592-W600 HydrophobicContact CD1-CG 4.18Å; L592-W600 HydrophobicContact CD1-CZ2 4.39Å
593	T	66.9	Low	74	Confident	68 Å²	68	35.5 Å²	35.5	42%	0.417	20%	0.2	S	C	.	.	S	Bend	trans	-97.6	-31.1	-177.2	52.1	0	0	0	0	113.4	S559 P591	S559-T593 PolarHBondContact O-N 2.79Å; S559-T593 PolarHBondContact O-OG1 2.96Å; P591-T593 PolarHBondContact O-N 3.04Å; P591-T593 VanDerWaalsContact O-N 3.1Å
594	S	66.2	Low	73.7	Confident	38 Å²	38	38 Å²	38	27%	0.266	21%	0.213	S	C	.	.	S	Bend	trans	-75.3	-49.7	-179.8	52.8	0	0	0	0	112.5	Y611	S594-Y611 PolarHBondContact O-OH 2.84Å
595	I	70.2	Confident	73.4	Confident	5 Å²	5	38 Å²	38	3%	0.026	21%	0.212	C	C	.	.	S	Bend	trans	-89.9	123.2	-173.8	-54.5	158.6	0	0	0	110.2	L561 V599 W600 L608 Y611 L612	L561-I595 HydrophobicContact CB-CD1 4.05Å; L561-I595 HydrophobicContact CD1-CD1 3.57Å; L561-I595 HydrophobicContact CG-CD1 3.77Å; I595-V599 HydrophobicContact CG2-CB 4.03Å; I595-V599 HydrophobicContact CG2-CG1 3.96Å; I595-W600 HydrophobicContact CG2-CB 4.39Å; I595-L608 HydrophobicContact CD1-CD1 4.08Å; I595-L608 HydrophobicContact CG2-CD1 3.85Å; I595-Y611 HydrophobicContact CB-CE1 4.3Å; I595-Y611 HydrophobicContact CG1-CD1 4.24Å; I595-Y611 HydrophobicContact CG1-CE1 3.88Å; I595-Y611 HydrophobicContact CG2-CD1 4.19Å; I595-Y611 HydrophobicContact CG2-CE1 4.22Å; I595-L612 HydrophobicContact CD1-CD2 4.38Å
596	P	63	Low	72.9	Confident	14 Å²	14	44.3 Å²	44.3	9%	0.091	24%	0.24	C	C	.	.			trans	-59.9	143.5	177.9	-25.1	34.3	0	0	0	114	S598 V599 W600 Y1038	P596-S598 PolarHBondContact O-N 3.44Å; P596-S598 VanDerWaalsContact O-N 3.11Å; P596-V599 HydrophobicContact CB-CG2 4.11Å; P596-V599 HydrophobicContact CG-CG2 4.23Å; P596-V599 WeakPolarHBondContact O-CB 3.08Å; P596-V599 PolarHBondContact O-N 3.17Å; P596-W600 VanDerWaalsContact O-CD1 3.3Å; P596-Y1038 HydrophobicContact CB-CD2 3.5Å; P596-Y1038 VanDerWaalsContact CB-CD2 3.5Å; P596-Y1038 HydrophobicContact CB-CE2 3.57Å; P596-Y1038 HydrophobicContact CG-CD2 3.68Å; P596-Y1038 HydrophobicContact CG-CE2 3.5Å; P596-Y1038 VanDerWaalsContact CG-CE2 3.5Å
597	Q	64.4	Low	72.1	Confident	102 Å²	102	45.6 Å²	45.6	48%	0.477	25%	0.246	S	C	.	.	H	α-helix	trans	-55.3	-32.4	177.6	-175.5	174.7	-100.4	0	0	113.4	V599 K601	Q597-V599 VanDerWaalsContact C-N 3.27Å; Q597-V599 PolarHBondContact O-N 3.17Å; Q597-K601 VanDerWaalsContact CD-NZ 3.35Å; Q597-K601 HydrophobicContact CG-CD 3.52Å; Q597-K601 HydrophobicContact CG-CG 3.94Å; Q597-K601 WeakPolarHBondContact O-CB 3.47Å; Q597-K601 PolarHBondContact O-N 2.99Å; Q597-K601 VanDerWaalsContact O-N 3.15Å
598	S	56.5	Low	71.9	Confident	20 Å²	20	45.6 Å²	45.6	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-26.5	175.4	56.1	0	0	0	0	114.5	P596 Y1038	P596-S598 PolarHBondContact O-N 3.44Å; P596-S598 VanDerWaalsContact O-N 3.11Å; S598-Y1038 WeakPolarHBondContact OG-CA 3.15Å
599	V	67.4	Low	72.3	Confident	4 Å²	4	43 Å²	43	2%	0.024	23%	0.233	C	C	.	.	H	α-helix	trans	-86.5	-35.5	-173.6	173.2	0	0	0	0	111.3	I595 P596 Q597 T602 L608 Y611	I595-V599 HydrophobicContact CG2-CB 4.03Å; I595-V599 HydrophobicContact CG2-CG1 3.96Å; P596-V599 HydrophobicContact CB-CG2 4.11Å; P596-V599 HydrophobicContact CG-CG2 4.23Å; P596-V599 WeakPolarHBondContact O-CB 3.08Å; P596-V599 PolarHBondContact O-N 3.17Å; Q597-V599 VanDerWaalsContact C-N 3.27Å; Q597-V599 PolarHBondContact O-N 3.17Å; V599-T602 PolarHBondContact O-OG1 3.1Å; V599-L608 HydrophobicContact CG1-CB 4.34Å; V599-L608 HydrophobicContact CG1-CD1 4.22Å; V599-Y611 HydrophobicContact CG1-CD2 4.33Å; V599-Y611 HydrophobicContact CG1-CG 3.94Å; V599-Y611 HydrophobicContact CG2-CD2 4.3Å
600	W	71.8	Confident	72.5	Confident	15 Å²	15	44.4 Å²	44.4	6%	0.057	23%	0.227	C	C	.	.	H	α-helix	trans	-101.9	-18	-176.4	69.9	-105.7	0	0	0	115.2	H575 L587 Q588 L592 I595 P596 T602 L608	H575-W600 AromaticContact NE2-CE3 3.95Å; H575-W600 AromaticContact NE2-CZ3 3.82Å; L587-W600 HydrophobicContact CB-CD2 4.17Å; L587-W600 HydrophobicContact CB-CE3 3.6Å; L587-W600 HydrophobicContact CB-CZ3 3.89Å; L587-W600 HydrophobicContact CD1-CB 3.77Å; L587-W600 HydrophobicContact CD1-CE3 4.47Å; L587-W600 HydrophobicContact CD1-CG 4.31Å; Q588-W600 HydrophobicContact CB-CZ3 4.37Å; L592-W600 HydrophobicContact CD1-CD2 4.15Å; L592-W600 HydrophobicContact CD1-CG 4.18Å; L592-W600 HydrophobicContact CD1-CZ2 4.39Å; I595-W600 HydrophobicContact CG2-CB 4.39Å; P596-W600 VanDerWaalsContact O-CD1 3.3Å; W600-T602 VanDerWaalsContact C-N 3.26Å; W600-T602 PolarHBondContact O-N 3.34Å; W600-L608 HydrophobicContact CB-CD1 4.4Å
601	K	66.9	Low	72.5	Confident	102 Å²	102	46.1 Å²	46.1	44%	0.443	23%	0.233	S	C	.	.	S	Bend	trans	-85.5	12.4	172.7	-68.2	-166.4	178.4	171.9	0	114.1	Q597	Q597-K601 VanDerWaalsContact CD-NZ 3.35Å; Q597-K601 HydrophobicContact CG-CD 3.52Å; Q597-K601 HydrophobicContact CG-CG 3.94Å; Q597-K601 WeakPolarHBondContact O-CB 3.47Å; Q597-K601 PolarHBondContact O-N 2.99Å; Q597-K601 VanDerWaalsContact O-N 3.15Å
602	T	66.8	Low	72.7	Confident	29 Å²	29	42.9 Å²	42.9	18%	0.178	21%	0.211	C	C	.	.	S	Bend	trans	-67.9	164	166.8	50.7	0	0	0	0	110.9	S574 V599 W600 D604 H607	S574-T602 PolarHBondContact OG-O 3.46Å; V599-T602 PolarHBondContact O-OG1 3.1Å; W600-T602 VanDerWaalsContact C-N 3.26Å; W600-T602 PolarHBondContact O-N 3.34Å; T602-D604 WeakPolarHBondContact CB-O 3.46Å; T602-D604 PolarHBondContact OG1-O 2.76Å; T602-H607 HydrophobicContact CG2-CB 4.34Å
603	I	71.8	Confident	72.9	Confident	93 Å²	93	45.9 Å²	45.9	48%	0.477	23%	0.225	S	C	.	.	S	Bend	trans	-90.5	-25	170.5	-59.4	172.8	0	0	0	111	T573 S574	T573-I603 CarbonylContact C-O 3.15Å; T573-I603 VanDerWaalsContact CA-O 3.3Å; T573-I603 WeakPolarHBondContact CA-O 3.26Å; S574-I603 PolarHBondContact N-O 3.3Å; S574-I603 WeakPolarHBondContact O-CA 3.47Å; S574-I603 PolarHBondContact OG-O 3.2Å
604	D	75.7	Confident	73	Confident	52 Å²	52	44.9 Å²	44.9	28%	0.278	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-95.1	128.6	173	-167.5	-38.1	0	0	0	109.2	T602 K606	T602-D604 WeakPolarHBondContact CB-O 3.46Å; T602-D604 PolarHBondContact OG1-O 2.76Å; D604-K606 VanDerWaalsContact C-N 3.35Å; D604-K606 VanDerWaalsContact OD1-CB 3.3Å; D604-K606 WeakPolarHBondContact OD1-CB 3.17Å; D604-K606 VanDerWaalsContact OD1-CD 3.24Å; D604-K606 WeakPolarHBondContact OD1-CD 3.47Å; D604-K606 WeakPolarHBondContact OD1-CE 3.26Å; D604-K606 WeakPolarHBondContact OD1-CG 3.46Å; D604-K606 PolarHBondContact OD1-N 2.93Å; D604-K606 IonicContact OD1-NZ 2.87Å; D604-K606 IonicContact OD2-NZ 2.68Å; D604-K606 PolarHBondContact OD2-NZ 3.01Å
605	T	83.1	Confident	72.8	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.012	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.7	-177.4	49.2	0	0	0	0	113.7	I571 Q572 T573 L585 H607 L608 W609	I571-T605 HydrophobicContact CG2-CG2 4.49Å; I571-T605 PolarHBondContact O-OG1 3.44Å; Q572-T605 PolarHBondContact O-OG1 3.2Å; Q572-T605 VanDerWaalsContact O-OG1 3.1Å; T573-T605 VanDerWaalsContact C-CG2 3.46Å; T573-T605 WeakPolarHBondContact O-CG2 3.38Å; L585-T605 HydrophobicContact CB-CG2 4.26Å; T605-H607 PolarHBondContact O-N 2.91Å; T605-H607 VanDerWaalsContact O-N 3.1Å; T605-L608 WeakPolarHBondContact O-CA 3.45Å; T605-L608 WeakPolarHBondContact O-CB 3.43Å; T605-L608 PolarHBondContact O-N 2.85Å; T605-W609 HydrophobicContact CG2-CZ2 4.26Å; T605-W609 PolarHBondContact O-N 3.33Å; T605-W609 PolarHBondContact OG1-NE1 3.03Å; T605-W609 VanDerWaalsContact OG1-NE1 3.1Å
606	K	80.2	Confident	71.9	Confident	136 Å²	136	49.4 Å²	49.4	59%	0.591	24%	0.24	S	C	*	.	H	α-helix	trans	-54.8	-34.2	-177.5	-68.7	163	-157.8	137.9	0	113.6	D604 W609 K610	D604-K606 VanDerWaalsContact C-N 3.35Å; D604-K606 VanDerWaalsContact OD1-CB 3.3Å; D604-K606 WeakPolarHBondContact OD1-CB 3.17Å; D604-K606 VanDerWaalsContact OD1-CD 3.24Å; D604-K606 WeakPolarHBondContact OD1-CD 3.47Å; D604-K606 WeakPolarHBondContact OD1-CE 3.26Å; D604-K606 WeakPolarHBondContact OD1-CG 3.46Å; D604-K606 PolarHBondContact OD1-N 2.93Å; D604-K606 IonicContact OD1-NZ 2.87Å; D604-K606 IonicContact OD2-NZ 2.68Å; D604-K606 PolarHBondContact OD2-NZ 3.01Å; K606-W609 PolarHBondContact O-N 3.46Å; K606-K610 VanDerWaalsContact O-CB 3.28Å; K606-K610 WeakPolarHBondContact O-CB 3.45Å; K606-K610 PolarHBondContact O-N 3.32Å
607	H	74.4	Confident	71.1	Confident	40 Å²	40	54.9 Å²	54.9	19%	0.185	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-41.2	177.3	-57.4	-83.3	0	0	0	111.6	T602 T605 Y611 D1034	T602-H607 HydrophobicContact CG2-CB 4.34Å; T605-H607 PolarHBondContact O-N 2.91Å; T605-H607 VanDerWaalsContact O-N 3.1Å; H607-Y611 WeakPolarHBondContact O-CB 3.18Å; H607-Y611 PolarHBondContact O-N 3.44Å; H607-Y611 VanDerWaalsContact O-N 3.11Å; H607-D1034 IonicContact CE1-OD1 2.74Å; H607-D1034 IonicContact CG-OD1 2.65Å; H607-D1034 IonicContact ND1-OD1 3.98Å; H607-D1034 PolarHBondContact ND1-OD1 3.24Å
608	L	82.5	Confident	70.3	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-70.6	-44.5	174.3	178.5	63.7	0	0	0	111.7	L585 L587 I595 V599 W600 T605 Y611 L612	L585-L608 HydrophobicContact CD2-CD2 3.41Å; L585-L608 VanDerWaalsContact CD2-CD2 3.41Å; L587-L608 HydrophobicContact CD1-CD2 3.85Å; I595-L608 HydrophobicContact CD1-CD1 4.08Å; I595-L608 HydrophobicContact CG2-CD1 3.85Å; V599-L608 HydrophobicContact CG1-CB 4.34Å; V599-L608 HydrophobicContact CG1-CD1 4.22Å; W600-L608 HydrophobicContact CB-CD1 4.4Å; T605-L608 WeakPolarHBondContact O-CA 3.45Å; T605-L608 WeakPolarHBondContact O-CB 3.43Å; T605-L608 PolarHBondContact O-N 2.85Å; L608-Y611 WeakPolarHBondContact O-CB 3.49Å; L608-Y611 PolarHBondContact O-N 3.35Å; L608-L612 HydrophobicContact CD1-CD1 4.43Å; L608-L612 HydrophobicContact CD1-CG 4.41Å; L608-L612 HydrophobicContact CG-CD1 4.41Å; L608-L612 WeakPolarHBondContact O-CG 3.2Å; L608-L612 PolarHBondContact O-N 3.04Å
609	W	86.6	Confident	69.6	Low	28 Å²	28	58.6 Å²	58.6	11%	0.106	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-47.9	178.6	-60.8	160.4	0	0	0	112.2	L565 I571 L585 T605 K606 Y611 L612 E613	L565-W609 HydrophobicContact CB-CZ3 4.29Å; L565-W609 HydrophobicContact CD2-CH2 4.4Å; L565-W609 HydrophobicContact CD2-CZ3 4.09Å; L565-W609 HydrophobicContact CG-CH2 4.19Å; L565-W609 HydrophobicContact CG-CZ3 3.95Å; L565-W609 WeakPolarHBondContact O-CZ3 3.3Å; I571-W609 HydrophobicContact CB-CZ2 4.11Å; I571-W609 HydrophobicContact CG2-CZ2 4.33Å; I571-W609 PolarHBondContact O-NE1 3.07Å; L585-W609 HydrophobicContact CD2-CH2 3.83Å; L585-W609 HydrophobicContact CD2-CZ2 4.49Å; L585-W609 HydrophobicContact CD2-CZ3 4.32Å; T605-W609 HydrophobicContact CG2-CZ2 4.26Å; T605-W609 PolarHBondContact O-N 3.33Å; T605-W609 PolarHBondContact OG1-NE1 3.03Å; T605-W609 VanDerWaalsContact OG1-NE1 3.1Å; K606-W609 PolarHBondContact O-N 3.46Å; W609-Y611 VanDerWaalsContact C-N 3.31Å; W609-Y611 PolarHBondContact O-N 3.38Å; W609-L612 HydrophobicContact CE3-CD1 4.2Å; W609-L612 HydrophobicContact CZ3-CD1 4.28Å; W609-L612 PolarHBondContact O-N 3.26Å; W609-E613 WeakPolarHBondContact O-CB 3.38Å; W609-E613 PolarHBondContact O-N 3.09Å
610	K	77.4	Confident	67.8	Low	73 Å²	73	63.3 Å²	63.3	32%	0.317	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-33.1	174.8	-174.7	174.6	174	-177.6	0	112.4	K606 V614 D1030 N1031	K606-K610 VanDerWaalsContact O-CB 3.28Å; K606-K610 WeakPolarHBondContact O-CB 3.45Å; K606-K610 PolarHBondContact O-N 3.32Å; K610-V614 HydrophobicContact CG-CG2 4.21Å; K610-V614 WeakPolarHBondContact O-CB 3.38Å; K610-V614 WeakPolarHBondContact O-CG2 3.48Å; K610-V614 PolarHBondContact O-N 2.61Å; K610-D1030 PolarHBondContact NZ-O 2.9Å; K610-N1031 PolarHBondContact NZ-ND2 3.42Å
611	Y	77.5	Confident	65.9	Low	49 Å²	49	66.9 Å²	66.9	19%	0.192	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-42.5	175.1	-178.2	-90.3	0	0	0	112	S594 I595 V599 H607 L608 W609 S615	S594-Y611 PolarHBondContact O-OH 2.84Å; I595-Y611 HydrophobicContact CB-CE1 4.3Å; I595-Y611 HydrophobicContact CG1-CD1 4.24Å; I595-Y611 HydrophobicContact CG1-CE1 3.88Å; I595-Y611 HydrophobicContact CG2-CD1 4.19Å; I595-Y611 HydrophobicContact CG2-CE1 4.22Å; V599-Y611 HydrophobicContact CG1-CD2 4.33Å; V599-Y611 HydrophobicContact CG1-CG 3.94Å; V599-Y611 HydrophobicContact CG2-CD2 4.3Å; H607-Y611 WeakPolarHBondContact O-CB 3.18Å; H607-Y611 PolarHBondContact O-N 3.44Å; H607-Y611 VanDerWaalsContact O-N 3.11Å; L608-Y611 WeakPolarHBondContact O-CB 3.49Å; L608-Y611 PolarHBondContact O-N 3.35Å; W609-Y611 VanDerWaalsContact C-N 3.31Å; W609-Y611 PolarHBondContact O-N 3.38Å; Y611-S615 PolarHBondContact O-N 3.16Å
612	L	82.3	Confident	64.2	Low	7 Å²	7	65.9 Å²	65.9	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-70.6	-48.4	177.4	-64.5	176.3	0	0	0	111.9	L565 Y566 I595 L608 W609 V614 S615 E616	L565-L612 HydrophobicContact CB-CD1 3.89Å; Y566-L612 HydrophobicContact CD1-CB 4.12Å; I595-L612 HydrophobicContact CD1-CD2 4.38Å; L608-L612 HydrophobicContact CD1-CD1 4.43Å; L608-L612 HydrophobicContact CD1-CG 4.41Å; L608-L612 HydrophobicContact CG-CD1 4.41Å; L608-L612 WeakPolarHBondContact O-CG 3.2Å; L608-L612 PolarHBondContact O-N 3.04Å; W609-L612 HydrophobicContact CE3-CD1 4.2Å; W609-L612 HydrophobicContact CZ3-CD1 4.28Å; W609-L612 PolarHBondContact O-N 3.26Å; L612-V614 VanDerWaalsContact C-N 3.26Å; L612-V614 PolarHBondContact O-N 2.88Å; L612-S615 WeakPolarHBondContact O-CA 3.38Å; L612-S615 WeakPolarHBondContact O-CB 3.28Å; L612-S615 PolarHBondContact O-N 3.05Å; L612-S615 PolarHBondContact O-OG 3.12Å; L612-E616 PolarHBondContact O-N 2.99Å
613	E	79.5	Confident	62.7	Low	85 Å²	85	72 Å²	72	40%	0.397	38%	0.381	S	S	.	.	H	α-helix	trans	-54.1	-39.3	174.9	-177.9	-177.2	-144.9	0	0	112.5	Y566 W609 S615	Y566-E613 HydrophobicContact CD1-CB 4.39Å; Y566-E613 HydrophobicContact CE1-CB 4.48Å; Y566-E613 HydrophobicContact CG-CB 4.42Å; W609-E613 WeakPolarHBondContact O-CB 3.38Å; W609-E613 PolarHBondContact O-N 3.09Å; E613-S615 VanDerWaalsContact C-N 3.3Å; E613-S615 PolarHBondContact O-N 3.02Å
614	V	68.5	Low	60.8	Low	46 Å²	46	75.2 Å²	75.2	28%	0.279	39%	0.388	S	S	.	.	H	α-helix	trans	-81.3	-6.4	178.7	169.5	0	0	0	0	113.2	K610 L612 K618	K610-V614 HydrophobicContact CG-CG2 4.21Å; K610-V614 WeakPolarHBondContact O-CB 3.38Å; K610-V614 WeakPolarHBondContact O-CG2 3.48Å; K610-V614 PolarHBondContact O-N 2.61Å; L612-V614 VanDerWaalsContact C-N 3.26Å; L612-V614 PolarHBondContact O-N 2.88Å; V614-K618 PolarHBondContact O-NZ 2.89Å
615	S	61.4	Low	58.8	Low	45 Å²	45	80.5 Å²	80.5	32%	0.315	41%	0.405	S	S	.	.	H	α-helix	trans	-84.3	-43	170.1	75.6	0	0	0	0	111.5	Y611 L612 E613 Q617 K618	Y611-S615 PolarHBondContact O-N 3.16Å; L612-S615 WeakPolarHBondContact O-CA 3.38Å; L612-S615 WeakPolarHBondContact O-CB 3.28Å; L612-S615 PolarHBondContact O-N 3.05Å; L612-S615 PolarHBondContact O-OG 3.12Å; E613-S615 VanDerWaalsContact C-N 3.3Å; E613-S615 PolarHBondContact O-N 3.02Å; S615-Q617 PolarHBondContact O-N 3.32Å; S615-K618 PolarHBondContact O-N 2.91Å
616	E	51.6	Low	56.4	Low	94 Å²	94	86.6 Å²	86.6	44%	0.439	44%	0.437	S	S	.	.	H	α-helix	trans	-52.7	-48.9	174.4	-169.7	-168.8	146.7	0	0	112	Y566 L612 K618 A619	Y566-E616 WeakPolarHBondContact CE1-OE2 3.11Å; Y566-E616 PolarHBondContact OH-OE2 3.18Å; L612-E616 PolarHBondContact O-N 2.99Å; E616-K618 PolarHBondContact O-N 2.64Å; E616-A619 PolarHBondContact O-N 3.02Å
617	Q	47.2	Very low	54.1	Low	128 Å²	128	84.7 Å²	84.7	60%	0.598	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-5.9	-177.1	-65.2	-178.7	13.9	0	0	115.1	S615	S615-Q617 PolarHBondContact O-N 3.32Å
618	K	47.6	Very low	52.1	Low	108 Å²	108	87.9 Å²	87.9	47%	0.47	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	1.5	-178.4	-71.9	173	-173.1	126.5	0	114.6	V614 S615 E616 L620 F972	V614-K618 PolarHBondContact O-NZ 2.89Å; S615-K618 PolarHBondContact O-N 2.91Å; E616-K618 PolarHBondContact O-N 2.64Å; K618-L620 PolarHBondContact O-N 3.42Å; K618-F972 HydrophobicContact CD-CE1 4.33Å
619	A	40.9	Very low	49.9	Very low	92 Å²	92	95.6 Å²	95.6	76%	0.76	49%	0.488	S	S	*	.			trans	-72.6	17.9	170.9	0	0	0	0	0	114.5	E616	E616-A619 PolarHBondContact O-N 3.02Å
620	L	31.1	Very low	47.3	Very low	104 Å²	104	103.3 Å²	103.3	55%	0.545	52%	0.522	S	S	.	.			trans	-69.6	130.4	-178.7	-93.2	161.9	0	0	0	112.1	K618 Y624	K618-L620 PolarHBondContact O-N 3.42Å; L620-Y624 HydrophobicContact CD2-CD2 4.46Å
621	P	30.1	Very low	45.2	Very low	89 Å²	89	105.6 Å²	105.6	58%	0.578	54%	0.542	S	S	*	.			trans	-58.2	140.8	179.5	-27.1	35.5	0	0	0	113.9	Q623 Y624	P621-Q623 PolarHBondContact O-N 3.36Å; P621-Y624 PolarHBondContact O-N 2.89Å; P621-Y624 VanDerWaalsContact O-N 3.1Å
622	A	32.6	Very low	43.1	Very low	82 Å²	82	110.1 Å²	110.1	68%	0.678	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-54.5	-16.5	-173.6	0	0	0	0	0	115.8	Y624 Y625	A622-Y624 VanDerWaalsContact C-N 3.27Å; A622-Y624 PolarHBondContact O-N 3.03Å; A622-Y625 PolarHBondContact O-N 3.17Å
623	Q	34.8	Very low	40.4	Very low	158 Å²	158	112.8 Å²	112.8	74%	0.738	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-62.9	-28.4	176.4	-64.3	179.1	-2.6	0	0	113.3	P621 Y625 L626	P621-Q623 PolarHBondContact O-N 3.36Å; Q623-Y625 VanDerWaalsContact C-N 3.29Å; Q623-Y625 PolarHBondContact O-N 3.3Å; Q623-L626 PolarHBondContact O-N 2.92Å
624	Y	32.1	Very low	38	Very low	159 Å²	159	118.3 Å²	118.3	62%	0.624	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-65.3	-30.8	179.8	-115.6	-96.4	0	0	0	113.2	L620 P621 A622 L626 V627	L620-Y624 HydrophobicContact CD2-CD2 4.46Å; P621-Y624 PolarHBondContact O-N 2.89Å; P621-Y624 VanDerWaalsContact O-N 3.1Å; A622-Y624 VanDerWaalsContact C-N 3.27Å; A622-Y624 PolarHBondContact O-N 3.03Å; Y624-L626 VanDerWaalsContact C-N 3.26Å; Y624-L626 PolarHBondContact O-N 3.29Å; Y624-V627 PolarHBondContact O-N 3.46Å
625	Y	32.8	Very low	36.1	Very low	163 Å²	163	123 Å²	123	64%	0.639	64%	0.643	S	S	*	*	H	α-helix	trans	-64.9	-28	177.1	-77.9	-86.6	0	0	0	112.9	A622 Q623 V627 F629	A622-Y625 PolarHBondContact O-N 3.17Å; Q623-Y625 VanDerWaalsContact C-N 3.29Å; Q623-Y625 PolarHBondContact O-N 3.3Å; Y625-V627 VanDerWaalsContact C-N 3.32Å; Y625-V627 PolarHBondContact O-N 3.02Å; Y625-F629 VanDerWaalsContact O-CD2 3.28Å; Y625-F629 WeakPolarHBondContact O-CD2 3.3Å
626	L	33.4	Very low	34.5	Very low	130 Å²	130	127.8 Å²	127.8	68%	0.681	67%	0.665	S	S	*	*	H	α-helix	trans	-73.4	-19.3	-178.5	-79.6	162.4	0	0	0	114.2	Q623 Y624	Q623-L626 PolarHBondContact O-N 2.92Å; Y624-L626 VanDerWaalsContact C-N 3.26Å; Y624-L626 PolarHBondContact O-N 3.29Å
627	V	32.3	Very low	33.4	Very low	97 Å²	97	129.8 Å²	129.8	59%	0.588	68%	0.683	S	S	*	*	H	α-helix	trans	-83.8	-44.5	-178.2	-176.6	0	0	0	0	111.2	Y624 Y625 F629 K630	Y624-V627 PolarHBondContact O-N 3.46Å; Y625-V627 VanDerWaalsContact C-N 3.32Å; Y625-V627 PolarHBondContact O-N 3.02Å; V627-F629 VanDerWaalsContact C-N 3.29Å; V627-F629 PolarHBondContact O-N 3.04Å; V627-K630 PolarHBondContact O-N 3.24Å; V627-K630 VanDerWaalsContact O-N 3.13Å
628	I	32.7	Very low	32.5	Very low	106 Å²	106	132.7 Å²	132.7	54%	0.544	70%	0.697	S	S	.	*	H	α-helix	trans	-62.5	-37.6	-179	-62.4	175	0	0	0	111.1	K630 V631	I628-K630 PolarHBondContact O-N 2.95Å; I628-V631 PolarHBondContact O-N 3.28Å
629	F	35.5	Very low	31.7	Very low	164 Å²	164	136.6 Å²	136.6	72%	0.719	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-11.1	178.2	-88.1	-104.6	0	0	0	114.9	Y625 V627	Y625-F629 VanDerWaalsContact O-CD2 3.28Å; Y625-F629 WeakPolarHBondContact O-CD2 3.3Å; V627-F629 VanDerWaalsContact C-N 3.29Å; V627-F629 PolarHBondContact O-N 3.04Å
630	K	32.9	Very low	31.3	Very low	190 Å²	190	139.1 Å²	139.1	83%	0.826	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-12.5	176.4	-88.4	-174.7	172.1	178.8	0	114.9	V627 I628	V627-K630 PolarHBondContact O-N 3.24Å; V627-K630 VanDerWaalsContact O-N 3.13Å; I628-K630 PolarHBondContact O-N 2.95Å
631	V	33	Very low	31.2	Very low	122 Å²	122	141.5 Å²	141.5	74%	0.739	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-26.5	-174.4	-176.7	0	0	0	0	112.3	I628 G633	I628-V631 PolarHBondContact O-N 3.28Å; V631-G633 PolarHBondContact O-N 3.42Å
632	I	33.7	Very low	31.1	Very low	144 Å²	144	146.5 Å²	146.5	74%	0.738	73%	0.729	S	S	*	*			trans	-100.4	83	-177.7	-51.1	179.2	0	0	0	109.9
633	G	25.7	Very low	31.1	Very low	63 Å²	63	149 Å²	149	65%	0.649	73%	0.725	S	S	*	*			trans	-127	110.9	173.3	0	0	0	0	0	112.2	V631	V631-G633 PolarHBondContact O-N 3.42Å
634	F	28.4	Very low	30.8	Very low	200 Å²	200	149.4 Å²	149.4	88%	0.877	73%	0.727	S	S	*	*			trans	-170.4	149.3	134.3	-123.1	-111.7	0	0	0	111.3
635	L	27.8	Very low	30.7	Very low	145 Å²	145	148.3 Å²	148.3	76%	0.759	73%	0.731	S	S	*	*	S	Bend	trans	75.8	130.6	169.4	-57.2	173.7	0	0	0	120.7
636	N	29.3	Very low	30.6	Very low	146 Å²	146	145.2 Å²	145.2	78%	0.781	72%	0.722	S	S	*	*			trans	70	56.2	159	-64.2	-6.6	0	0	0	120.2	Q638	N636-Q638 PolarHBondContact O-N 3.11Å
637	V	26.9	Very low	30.6	Very low	135 Å²	135	143.1 Å²	143.1	82%	0.818	71%	0.712	S	S	*	*			trans	-59	119.2	154.6	176.1	0	0	0	0	111.4
638	Q	28.8	Very low	30.6	Very low	189 Å²	189	147.8 Å²	147.8	88%	0.883	72%	0.724	S	S	*	*	S	Bend	trans	-174.6	-16.1	137.1	-110.2	-170.4	9.9	0	0	115.3	N636	N636-Q638 PolarHBondContact O-N 3.11Å
639	K	31.5	Very low	30.5	Very low	191 Å²	191	149.3 Å²	149.3	83%	0.83	73%	0.733	S	S	*	*	S	Bend	trans	-88.8	-11.3	-179.7	-83.2	-172.8	174.7	-178.8	0	115.8	I641	K639-I641 PolarHBondContact O-N 2.89Å
640	Q	31.8	Very low	30.5	Very low	144 Å²	144	143.8 Å²	143.8	67%	0.673	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-69.8	-28.6	-161.2	-131.8	116	-7.9	0	0	115.5	R642 F643	Q640-R642 PolarHBondContact O-N 3.45Å; Q640-F643 PolarHBondContact O-N 3.1Å
641	I	29.4	Very low	30.9	Very low	154 Å²	154	139.9 Å²	139.9	79%	0.79	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-74.5	-9.1	-170.8	-61.9	174.1	0	0	0	112.9	K639	K639-I641 PolarHBondContact O-N 2.89Å
642	R	28.6	Very low	31.4	Very low	194 Å²	194	137.8 Å²	137.8	73%	0.732	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-86.5	-21.3	177.5	-136.2	179.2	-161.9	173.5	4.2	114.3	Q640 E644	Q640-R642 PolarHBondContact O-N 3.45Å; R642-E644 PolarHBondContact O-N 2.94Å
643	F	31.6	Very low	32.2	Very low	134 Å²	134	137 Å²	137	59%	0.588	68%	0.681	S	S	*	*	H	α-helix	trans	-70.2	-33.1	-172.3	-104.6	-93.8	0	0	0	113.7	Q640 L645 E646 D647	Q640-F643 PolarHBondContact O-N 3.1Å; F643-L645 PolarHBondContact O-N 3.1Å; F643-E646 PolarHBondContact O-N 2.83Å; F643-D647 PolarHBondContact O-N 2.95Å; F643-D647 VanDerWaalsContact O-N 3.11Å
644	E	29.7	Very low	33.4	Very low	167 Å²	167	136 Å²	136	78%	0.78	66%	0.663	S	S	*	*	H	α-helix	trans	-70.1	-12.7	-176.1	-61.6	-176.7	145.5	0	0	113.9	R642	R642-E644 PolarHBondContact O-N 2.94Å
645	L	28.4	Very low	34.8	Very low	136 Å²	136	127.7 Å²	127.7	71%	0.712	63%	0.629	S	S	*	*	H	α-helix	trans	-97	-21.9	170.7	-77.8	164.3	0	0	0	113	F643	F643-L645 PolarHBondContact O-N 3.1Å
646	E	31	Very low	36.6	Very low	99 Å²	99	121.7 Å²	121.7	46%	0.463	60%	0.597	S	S	.	*	H	α-helix	trans	-80.7	-27.8	176.3	-69	177.8	177.1	0	0	111.6	F643 K648 L649 S650	F643-E646 PolarHBondContact O-N 2.83Å; E646-K648 PolarHBondContact O-N 3.22Å; E646-L649 PolarHBondContact O-N 3.33Å; E646-S650 PolarHBondContact O-N 3.39Å; E646-S650 VanDerWaalsContact O-N 3.08Å; E646-S650 PolarHBondContact O-OG 3.36Å
647	D	33.6	Very low	38.5	Very low	86 Å²	86	114.8 Å²	114.8	46%	0.46	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.9	-3.7	176.4	-118.6	26.5	0	0	0	114.3	F643 K975	F643-D647 PolarHBondContact O-N 2.95Å; F643-D647 VanDerWaalsContact O-N 3.11Å; D647-K975 IonicContact OD1-NZ 2.67Å; D647-K975 PolarHBondContact OD1-NZ 3.1Å; D647-K975 IonicContact OD2-NZ 2.72Å; D647-K975 PolarHBondContact OD2-NZ 3.35Å
648	K	32	Very low	40.7	Very low	194 Å²	194	108.3 Å²	108.3	84%	0.843	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-4.4	168.3	-77.1	-171.8	174.8	-178.3	0	114.6	E646	E646-K648 PolarHBondContact O-N 3.22Å
649	L	30.8	Very low	42.9	Very low	139 Å²	139	99.3 Å²	99.3	73%	0.728	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-5.5	-179.4	-83.2	152.5	0	0	0	112.6	E646	E646-L649 PolarHBondContact O-N 3.33Å
650	S	34.9	Very low	45	Very low	47 Å²	47	90.3 Å²	90.3	33%	0.329	44%	0.44	S	S	.	.	S	Bend	trans	-84.5	-20.3	-174.3	54.1	0	0	0	0	115.3	E646 T652	E646-S650 PolarHBondContact O-N 3.39Å; E646-S650 VanDerWaalsContact O-N 3.08Å; E646-S650 PolarHBondContact O-OG 3.36Å; S650-T652 PolarHBondContact O-N 3.12Å
651	N	41.3	Very low	46.9	Very low	109 Å²	109	83.4 Å²	83.4	58%	0.583	41%	0.408	S	S	*	.			trans	-80.9	-2.2	-172.9	-86.6	11.7	0	0	0	115.8	K653 D970	N651-K653 PolarHBondContact O-N 3.37Å; N651-K653 VanDerWaalsContact O-N 3.07Å; N651-D970 PolarHBondContact ND2-OD1 3.42Å
652	T	43.6	Very low	48.7	Very low	78 Å²	78	77.8 Å²	77.8	48%	0.479	38%	0.379	S	S	.	.			trans	-69.9	107.3	179.9	58.2	0	0	0	0	111.6	S650	S650-T652 PolarHBondContact O-N 3.12Å
653	K	50.9	Low	50.3	Low	126 Å²	126	73 Å²	73	55%	0.548	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-54.4	130.6	164.4	-72.8	176.2	179.1	168.8	0	108.8	N651 T655	N651-K653 PolarHBondContact O-N 3.37Å; N651-K653 VanDerWaalsContact O-N 3.07Å; K653-T655 PolarHBondContact O-N 3.28Å
654	P	51.4	Low	51.8	Low	42 Å²	42	72.9 Å²	72.9	27%	0.273	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-68.2	119.1	176.6	27.6	-33	0	0	0	109.7	K656 I733	P654-K656 PolarHBondContact O-N 3.38Å; P654-I733 HydrophobicContact CB-CD1 3.97Å; P654-I733 HydrophobicContact CB-CG1 4.22Å; P654-I733 HydrophobicContact CG-CD1 4.08Å
655	T	58.6	Low	53.6	Low	26 Å²	26	65 Å²	65	16%	0.16	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.4	-179.2	-46.1	0	0	0	0	110.4	K653 I657 I733 F772 I960	K653-T655 PolarHBondContact O-N 3.28Å; T655-I657 HydrophobicContact CG2-CG1 4.46Å; T655-I733 PolarHBondContact O-N 3.04Å; T655-F772 HydrophobicContact CG2-CB 4.43Å; T655-I960 HydrophobicContact CG2-CD1 4.08Å; T655-I960 HydrophobicContact CG2-CG1 4.03Å
656	K	65.4	Low	55.5	Low	20 Å²	20	59 Å²	59	9%	0.087	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.4	167.5	-61.1	176.8	-178.2	171.5	0	108.9	P654 F658 Y735 D768 S771 F772 I1042	P654-K656 PolarHBondContact O-N 3.38Å; K656-F658 HydrophobicContact CB-CE2 4.1Å; K656-F658 HydrophobicContact CD-CE2 4.36Å; K656-F658 HydrophobicContact CD-CZ 4.47Å; K656-Y735 HydrophobicContact CB-CE2 4.03Å; K656-Y735 HydrophobicContact CD-CE2 4.45Å; K656-Y735 HydrophobicContact CG-CE2 4Å; K656-D768 IonicContact NZ-OD2 2.64Å; K656-D768 PolarHBondContact NZ-OD2 3.48Å; K656-S771 WeakPolarHBondContact CB-OG 3.4Å; K656-S771 WeakPolarHBondContact CD-OG 3.29Å; K656-F772 PolarHBondContact O-N 3.42Å; K656-I1042 WeakPolarHBondContact CE-O 3.32Å; K656-I1042 PolarHBondContact NZ-O 3.13Å
657	I	69.5	Low	57.3	Low	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.1	175	-59.6	178	0	0	0	108.7	T655 M732 I733 F734 Y735 F772 I774 I956	T655-I657 HydrophobicContact CG2-CG1 4.46Å; I657-M732 HydrophobicContact CD1-CB 4.14Å; I657-M732 HydrophobicContact CD1-CG 4.26Å; I657-M732 HydrophobicContact CD1-SD 3.53Å; I657-M732 VanDerWaalsContact CD1-SD 3.53Å; I657-I733 PolarHBondContact N-O 3.38Å; I657-F734 HydrophobicContact CB-CD1 3.72Å; I657-F734 HydrophobicContact CB-CE1 3.93Å; I657-F734 HydrophobicContact CB-CG 4.31Å; I657-F734 HydrophobicContact CD1-CD1 4.28Å; I657-F734 HydrophobicContact CD1-CE1 3.66Å; I657-F734 HydrophobicContact CD1-CE2 4.32Å; I657-F734 HydrophobicContact CD1-CZ 3.69Å; I657-F734 HydrophobicContact CG1-CE1 4.38Å; I657-F734 HydrophobicContact CG2-CD1 3.64Å; I657-F734 HydrophobicContact CG2-CE1 3.68Å; I657-F734 WeakPolarHBondContact O-CA 3.5Å; I657-Y735 PolarHBondContact O-N 3.08Å; I657-F772 WeakPolarHBondContact CA-O 3.42Å; I657-F772 HydrophobicContact CG1-CB 4.36Å; I657-F772 HydrophobicContact CG2-CD1 4.35Å; I657-I774 HydrophobicContact CG2-CD1 3.83Å; I657-I774 HydrophobicContact CG2-CG1 4.28Å; I657-I956 HydrophobicContact CD1-CG2 3.87Å
658	F	73.1	Confident	58.7	Low	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.5	177.6	-70.9	-74.8	0	0	0	110.5	K656 I660 Y735 I737 L766 L767 F772 Y773 I774	K656-F658 HydrophobicContact CB-CE2 4.1Å; K656-F658 HydrophobicContact CD-CE2 4.36Å; K656-F658 HydrophobicContact CD-CZ 4.47Å; F658-I660 HydrophobicContact CB-CD1 4.26Å; F658-I660 HydrophobicContact CB-CG1 4.33Å; F658-Y735 HydrophobicContact CD1-CD2 4.11Å; F658-Y735 AromaticContact CD1-CG 3.96Å; F658-Y735 HydrophobicContact CD1-CG 3.96Å; F658-Y735 HydrophobicContact CE1-CD1 4.1Å; F658-Y735 AromaticContact CE1-CD2 3.69Å; F658-Y735 HydrophobicContact CE1-CD2 3.69Å; F658-Y735 HydrophobicContact CE1-CE2 4.34Å; F658-Y735 AromaticContact CE1-CG 3.56Å; F658-Y735 HydrophobicContact CE1-CG 3.56Å; F658-Y735 AromaticContact CZ-CD2 3.99Å; F658-Y735 HydrophobicContact CZ-CD2 3.99Å; F658-Y735 HydrophobicContact CZ-CE2 4.25Å; F658-Y735 HydrophobicContact CZ-CG 4.27Å; F658-I737 HydrophobicContact CD1-CD1 3.46Å; F658-I737 VanDerWaalsContact CD1-CD1 3.46Å; F658-I737 HydrophobicContact CD1-CG1 4.23Å; F658-I737 HydrophobicContact CE1-CD1 3.69Å; F658-L766 HydrophobicContact CE1-CD1 4.33Å; F658-L766 HydrophobicContact CE1-CG 4.08Å; F658-L766 HydrophobicContact CZ-CD1 4.39Å; F658-L766 HydrophobicContact CZ-CG 4.24Å; F658-L766 VanDerWaalsContact CZ-O 3.26Å; F658-L766 WeakPolarHBondContact CZ-O 3.44Å; F658-L767 HydrophobicContact CD1-CD2 4.17Å; F658-L767 HydrophobicContact CD2-CD2 4.37Å; F658-L767 HydrophobicContact CE1-CD2 4.05Å; F658-L767 HydrophobicContact CE2-CD2 4.24Å; F658-L767 HydrophobicContact CG-CD2 4.34Å; F658-L767 HydrophobicContact CZ-CD2 4.1Å; F658-F772 PolarHBondContact N-O 3.45Å; F658-Y773 HydrophobicContact CB-CD1 3.52Å; F658-Y773 HydrophobicContact CB-CE1 3.56Å; F658-Y773 HydrophobicContact CB-CG 4.46Å; F658-Y773 HydrophobicContact CD2-CD1 4.07Å; F658-Y773 AromaticContact CD2-CE1 3.35Å; F658-Y773 HydrophobicContact CD2-CE1 3.35Å; F658-Y773 HydrophobicContact CD2-CE2 4.43Å; F658-Y773 AromaticContact CD2-CZ 3.57Å; F658-Y773 HydrophobicContact CE2-CE1 4.25Å; F658-Y773 HydrophobicContact CG-CD1 4.13Å; F658-Y773 AromaticContact CG-CE1 3.63Å; F658-Y773 HydrophobicContact CG-CE1 3.63Å; F658-I774 PolarHBondContact O-N 2.85Å
659	I	74.6	Confident	60.3	Low	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.5	176.1	-61.8	180	0	0	0	108.1	K667 I671 L674 F734 Y735 I737 L776	I659-K667 HydrophobicContact CG2-CB 4.08Å; I659-K667 HydrophobicContact CG2-CD 4.3Å; I659-K667 HydrophobicContact CG2-CG 4.15Å; I659-I671 HydrophobicContact CD1-CD1 4.09Å; I659-I671 HydrophobicContact CD1-CG1 3.67Å; I659-L674 HydrophobicContact CD1-CD1 4.44Å; I659-F734 HydrophobicContact CD1-CD1 3.91Å; I659-F734 HydrophobicContact CG1-CD1 4.41Å; I659-Y735 PolarHBondContact N-O 3.24Å; I659-I737 PolarHBondContact O-N 2.79Å; I659-L776 HydrophobicContact CG2-CD1 3.42Å; I659-L776 VanDerWaalsContact CG2-CD1 3.42Å
660	I	75.1	Confident	62.2	Low	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.3	-169.5	-61.1	179.6	0	0	0	109.7	F658 I737 L739 Y773 I774 L775 L776 H796 L800	F658-I660 HydrophobicContact CB-CD1 4.26Å; F658-I660 HydrophobicContact CB-CG1 4.33Å; I660-I737 HydrophobicContact CG1-CB 4.43Å; I660-L739 HydrophobicContact CG2-CD1 4.41Å; I660-L739 HydrophobicContact CG2-CG 4.37Å; I660-Y773 HydrophobicContact CD1-CD1 3.72Å; I660-Y773 HydrophobicContact CD1-CE1 4.18Å; I660-I774 PolarHBondContact N-O 3.33Å; I660-L775 HydrophobicContact CB-CD1 4.33Å; I660-L775 HydrophobicContact CG2-CD1 3.87Å; I660-L775 WeakPolarHBondContact O-CA 3.31Å; I660-L776 PolarHBondContact O-N 2.77Å; I660-H796 HydrophobicContact CG2-CB 4.42Å; I660-H796 WeakPolarHBondContact CG2-CD2 3.46Å; I660-L800 HydrophobicContact CD1-CD1 4.01Å; I660-L800 HydrophobicContact CD1-CD2 3.92Å; I660-L800 HydrophobicContact CD1-CG 4.37Å
661	G	70.7	Confident	63.7	Low	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.4	168	178.6	0	0	0	0	0	112.2	K667	G661-K667 WeakPolarHBondContact O-CE 3.27Å; G661-K667 PolarHBondContact O-NZ 2.83Å
662	D	67.9	Low	64.7	Low	36 Å²	36	39 Å²	39	19%	0.193	20%	0.199	C	C	.	.			trans	-69.8	171	-177.7	-62.2	-61.5	0	0	0	113.8	F664 S665 Q741 S792 H796	D662-F664 PolarHBondContact O-N 3.35Å; D662-S665 PolarHBondContact N-OG 2.89Å; D662-S665 VanDerWaalsContact O-CB 3.32Å; D662-S665 WeakPolarHBondContact O-CB 3.38Å; D662-S665 PolarHBondContact O-N 3.37Å; D662-S665 PolarHBondContact O-OG 3.31Å; D662-Q741 PolarHBondContact OD1-NE2 2.72Å; D662-Q741 VanDerWaalsContact OD1-NE2 3.07Å; D662-S792 VanDerWaalsContact CG-OG 3.25Å; D662-S792 PolarHBondContact OD1-OG 3.5Å; D662-S792 VanDerWaalsContact OD2-CB 3.28Å; D662-S792 WeakPolarHBondContact OD2-CB 3.36Å; D662-S792 PolarHBondContact OD2-OG 3.33Å; D662-H796 IonicContact OD1-CE1 3.75Å
663	K	62.3	Low	65.7	Low	93 Å²	93	37.1 Å²	37.1	40%	0.404	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.8	-37.1	177.5	-170.7	176.4	-174.7	-174	0	114.3
664	F	63.3	Low	66.4	Low	131 Å²	131	31.6 Å²	31.6	58%	0.575	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	5.6	-176.6	-57.7	-70.5	0	0	0	114.8	D662 G666 N778 L781	D662-F664 PolarHBondContact O-N 3.35Å; F664-G666 VanDerWaalsContact C-N 3.26Å; F664-G666 PolarHBondContact O-N 2.96Å; F664-N778 WeakPolarHBondContact O-CB 3.5Å; F664-N778 PolarHBondContact O-ND2 3.19Å; F664-L781 HydrophobicContact CB-CD1 3.53Å; F664-L781 HydrophobicContact CD2-CD1 4.23Å; F664-L781 HydrophobicContact CG-CD1 4.11Å
665	S	67	Low	66.6	Low	2 Å²	2	34.8 Å²	34.8	1%	0.014	17%	0.173	C	C	.	.	S	Bend	trans	-75.4	-3.8	-174.8	64.4	0	0	0	0	115.4	D662 K667 L776 T814	D662-S665 PolarHBondContact N-OG 2.89Å; D662-S665 VanDerWaalsContact O-CB 3.32Å; D662-S665 WeakPolarHBondContact O-CB 3.38Å; D662-S665 PolarHBondContact O-N 3.37Å; D662-S665 PolarHBondContact O-OG 3.31Å; S665-K667 WeakPolarHBondContact OG-CG 3.34Å; S665-L776 WeakPolarHBondContact CB-O 3.29Å; S665-T814 VanDerWaalsContact O-CG2 3.32Å; S665-T814 WeakPolarHBondContact O-CG2 3.24Å; S665-T814 PolarHBondContact O-OG1 3.44Å
666	G	67.9	Low	66.2	Low	9 Å²	9	41.3 Å²	41.3	9%	0.093	20%	0.2	C	C	.	.			trans	87.4	7.6	174.8	0	0	0	0	0	116.1	F664 S668 T669 L670	F664-G666 VanDerWaalsContact C-N 3.26Å; F664-G666 PolarHBondContact O-N 2.96Å; G666-S668 PolarHBondContact O-N 2.77Å; G666-T669 WeakPolarHBondContact O-CA 3.38Å; G666-T669 WeakPolarHBondContact O-CB 3.49Å; G666-T669 PolarHBondContact O-N 3.46Å; G666-L670 PolarHBondContact O-N 2.98Å
667	K	68.6	Low	64.7	Low	13 Å²	13	45.7 Å²	45.7	6%	0.057	22%	0.22	C	C	.	.	H	α-helix	trans	-42.3	-60.2	-177.7	-54.8	-165.8	-66.3	-155.3	0	113.9	I659 G661 S665 T669 L670 I671 E736 I737 T738 L776	I659-K667 HydrophobicContact CG2-CB 4.08Å; I659-K667 HydrophobicContact CG2-CD 4.3Å; I659-K667 HydrophobicContact CG2-CG 4.15Å; G661-K667 WeakPolarHBondContact O-CE 3.27Å; G661-K667 PolarHBondContact O-NZ 2.83Å; S665-K667 WeakPolarHBondContact OG-CG 3.34Å; K667-T669 PolarHBondContact O-N 3.35Å; K667-T669 VanDerWaalsContact O-N 3.14Å; K667-L670 PolarHBondContact O-N 3.35Å; K667-L670 VanDerWaalsContact O-N 3.14Å; K667-I671 WeakPolarHBondContact O-CD1 3.47Å; K667-I671 WeakPolarHBondContact O-CG1 3.49Å; K667-I671 PolarHBondContact O-N 3.24Å; K667-E736 HydrophobicContact CB-CG 4.29Å; K667-E736 WeakPolarHBondContact CB-OE1 3.41Å; K667-E736 HydrophobicContact CD-CG 4.34Å; K667-I737 PolarHBondContact NZ-O 2.72Å; K667-T738 PolarHBondContact NZ-OG1 3.13Å; K667-L776 HydrophobicContact CB-CD1 4.2Å; K667-L776 HydrophobicContact CG-CD1 3.73Å
668	S	63.3	Low	62.9	Low	53 Å²	53	48.6 Å²	48.6	37%	0.371	25%	0.25	S	C	.	.	H	α-helix	trans	-70.4	-11	-176.2	-24.6	0	0	0	0	113.2	G666 K672 E736	G666-S668 PolarHBondContact O-N 2.77Å; S668-K672 WeakPolarHBondContact O-CD 3.46Å; S668-K672 WeakPolarHBondContact O-CE 3.15Å; S668-K672 WeakPolarHBondContact O-CG 3.48Å; S668-K672 PolarHBondContact O-N 3.05Å; S668-E736 PolarHBondContact N-OE1 2.94Å; S668-E736 PolarHBondContact OG-OE1 3.26Å
669	T	65.7	Low	60.9	Low	48 Å²	48	54.3 Å²	54.3	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-87.6	-39.8	171.5	-57.6	0	0	0	0	111.1	G666 K667 K672 H673 L918	G666-T669 WeakPolarHBondContact O-CA 3.38Å; G666-T669 WeakPolarHBondContact O-CB 3.49Å; G666-T669 PolarHBondContact O-N 3.46Å; K667-T669 PolarHBondContact O-N 3.35Å; K667-T669 VanDerWaalsContact O-N 3.14Å; T669-K672 PolarHBondContact O-N 3.3Å; T669-H673 PolarHBondContact O-N 3.29Å; T669-H673 PolarHBondContact O-ND1 2.89Å; T669-L918 HydrophobicContact CG2-CB 3.99Å; T669-L918 HydrophobicContact CG2-CD1 3.95Å; T669-L918 HydrophobicContact CG2-CD2 4.41Å; T669-L918 HydrophobicContact CG2-CG 4.35Å
670	L	70.9	Confident	58.6	Low	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-47.2	170.5	-179.4	65.7	0	0	0	110.8	G666 K667 K672 H673 L674 L776 L812 L918 L952	G666-L670 PolarHBondContact O-N 2.98Å; K667-L670 PolarHBondContact O-N 3.35Å; K667-L670 VanDerWaalsContact O-N 3.14Å; L670-K672 VanDerWaalsContact C-N 3.28Å; L670-K672 PolarHBondContact O-N 3.18Å; L670-H673 PolarHBondContact O-N 3.14Å; L670-L674 HydrophobicContact CG-CD1 4.04Å; L670-L674 HydrophobicContact CG-CG 4.45Å; L670-L674 PolarHBondContact O-N 2.97Å; L670-L776 HydrophobicContact CD2-CD1 4.14Å; L670-L776 HydrophobicContact CD2-CD2 4.05Å; L670-L812 HydrophobicContact CD2-CD2 3.98Å; L670-L918 HydrophobicContact CD1-CD2 4.4Å; L670-L952 HydrophobicContact CD1-CD2 3.83Å; L670-L952 HydrophobicContact CD2-CD2 4.5Å
671	I	65.8	Low	56.3	Low	9 Å²	9	70 Å²	70	5%	0.046	37%	0.372	C	S	.	.	H	α-helix	trans	-55.7	-40.3	176	-74.4	162.1	0	0	0	112.2	I659 K667 H673 L674 M675 I721 E736	I659-I671 HydrophobicContact CD1-CD1 4.09Å; I659-I671 HydrophobicContact CD1-CG1 3.67Å; K667-I671 WeakPolarHBondContact O-CD1 3.47Å; K667-I671 WeakPolarHBondContact O-CG1 3.49Å; K667-I671 PolarHBondContact O-N 3.24Å; I671-H673 VanDerWaalsContact C-N 3.28Å; I671-H673 PolarHBondContact O-N 2.72Å; I671-L674 PolarHBondContact O-N 2.72Å; I671-M675 HydrophobicContact CG2-CE 3.84Å; I671-M675 PolarHBondContact O-N 3.27Å; I671-M675 VanDerWaalsContact O-N 3.14Å; I671-I721 HydrophobicContact CB-CD1 4.29Å; I671-I721 HydrophobicContact CD1-CD1 3.94Å; I671-I721 HydrophobicContact CG1-CD1 3.8Å; I671-I721 HydrophobicContact CG2-CD1 3.54Å; I671-I721 HydrophobicContact CG2-CG1 4.28Å; I671-E736 HydrophobicContact CD1-CB 3.86Å; I671-E736 VanDerWaalsContact CD1-CD 3.46Å; I671-E736 HydrophobicContact CD1-CG 3.86Å; I671-E736 VanDerWaalsContact CD1-OE2 3.28Å; I671-E736 WeakPolarHBondContact CD1-OE2 3.45Å
672	K	63.5	Low	54	Low	131 Å²	131	76 Å²	76	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-68.5	-22.1	177	-78.3	166	-166.4	163.9	0	114	S668 T669 L670	S668-K672 WeakPolarHBondContact O-CD 3.46Å; S668-K672 WeakPolarHBondContact O-CE 3.15Å; S668-K672 WeakPolarHBondContact O-CG 3.48Å; S668-K672 PolarHBondContact O-N 3.05Å; T669-K672 PolarHBondContact O-N 3.3Å; L670-K672 VanDerWaalsContact C-N 3.28Å; L670-K672 PolarHBondContact O-N 3.18Å
673	H	64.6	Low	51.9	Low	39 Å²	39	79.5 Å²	79.5	18%	0.181	44%	0.436	C	S	.	.	H	α-helix	trans	-83.7	-49.2	172.1	-71.7	89.4	0	0	0	110.8	T669 L670 I671 M675 K676 V949	T669-H673 PolarHBondContact O-N 3.29Å; T669-H673 PolarHBondContact O-ND1 2.89Å; L670-H673 PolarHBondContact O-N 3.14Å; I671-H673 VanDerWaalsContact C-N 3.28Å; I671-H673 PolarHBondContact O-N 2.72Å; H673-M675 PolarHBondContact O-N 2.68Å; H673-K676 PolarHBondContact O-N 2.98Å; H673-V949 HydrophobicContact CB-CG1 4.23Å; H673-V949 HydrophobicContact CB-CG2 3.98Å
674	L	64.8	Low	50.1	Low	9 Å²	9	81.3 Å²	81.3	5%	0.047	46%	0.455	C	S	.	.	H	α-helix	trans	-55.5	-34.7	179.3	-68.5	171.4	0	0	0	113.4	I659 L670 I671 K676 F734 V949 W953	I659-L674 HydrophobicContact CD1-CD1 4.44Å; L670-L674 HydrophobicContact CG-CD1 4.04Å; L670-L674 HydrophobicContact CG-CG 4.45Å; L670-L674 PolarHBondContact O-N 2.97Å; I671-L674 PolarHBondContact O-N 2.72Å; L674-K676 VanDerWaalsContact C-N 3.34Å; L674-K676 PolarHBondContact O-N 3.01Å; L674-F734 HydrophobicContact CD1-CE1 4.04Å; L674-F734 HydrophobicContact CD1-CZ 4.44Å; L674-V949 HydrophobicContact CD2-CG1 3.88Å; L674-W953 HydrophobicContact CB-CZ2 4.23Å; L674-W953 HydrophobicContact CD2-CD2 4.24Å; L674-W953 HydrophobicContact CD2-CZ2 3.87Å
675	M	55.9	Low	48.1	Very low	109 Å²	109	84.8 Å²	84.8	54%	0.537	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.2	178.9	-78.3	-159.6	-71.4	0	0	115.7	I671 H673 I721	I671-M675 HydrophobicContact CG2-CE 3.84Å; I671-M675 PolarHBondContact O-N 3.27Å; I671-M675 VanDerWaalsContact O-N 3.14Å; H673-M675 PolarHBondContact O-N 2.68Å; M675-I721 HydrophobicContact CG-CG2 3.96Å; M675-I721 HydrophobicContact SD-CG2 3.6Å
676	K	50.9	Low	46	Very low	164 Å²	164	91.5 Å²	91.5	71%	0.713	51%	0.507	S	S	*	.	S	Bend	trans	-101.2	-16.8	-157.5	-133	177	-176.7	-178.5	0	117.2	H673 L674	H673-K676 PolarHBondContact O-N 2.98Å; L674-K676 VanDerWaalsContact C-N 3.34Å; L674-K676 PolarHBondContact O-N 3.01Å
677	E	33.8	Very low	43.8	Very low	112 Å²	112	96.1 Å²	96.1	52%	0.523	54%	0.539	S	S	.	.			trans	-125.8	109.3	177.7	-55.2	-141.5	158.5	0	0	110.3	L922	E677-L922 HydrophobicContact CG-CD1 4.24Å
678	G	31.8	Very low	41.6	Very low	60 Å²	60	103 Å²	103	62%	0.619	58%	0.575	S	S	*	*	S	Bend	trans	-179.8	95.3	-174.6	0	0	0	0	0	112.8
679	S	29.7	Very low	39.7	Very low	120 Å²	120	106.3 Å²	106.3	84%	0.839	60%	0.595	S	S	*	*			trans	53	85.6	168.7	60.7	0	0	0	0	118.2
680	I	26.7	Very low	37.6	Very low	167 Å²	167	109.4 Å²	109.4	86%	0.856	62%	0.619	S	S	*	*			trans	-126.5	91.5	146.6	-56.8	-179.8	0	0	0	108.2
681	N	26.4	Very low	35.4	Very low	164 Å²	164	117.5 Å²	117.5	88%	0.877	66%	0.657	S	S	*	*			trans	-82.9	150.3	164.2	-91.8	-16.8	0	0	0	110.2
682	T	24.3	Very low	33.4	Very low	125 Å²	125	124.3 Å²	124.3	77%	0.767	69%	0.692	S	S	*	*	S	Bend	trans	-72.6	159.2	-172.2	48.2	0	0	0	0	113.9
683	S	23.3	Very low	31.5	Very low	111 Å²	111	124 Å²	124	78%	0.776	69%	0.693	S	S	*	*			trans	59	73.5	160.2	59.6	0	0	0	0	118.5
684	T	24.2	Very low	29.6	Very low	130 Å²	130	127.8 Å²	127.8	80%	0.798	71%	0.71	S	S	*	*			trans	-151.9	136	131.4	19.4	0	0	0	0	110.1	I686	T684-I686 PolarHBondContact O-N 2.89Å
685	Q	21.2	Very low	27.6	Very low	204 Å²	204	135.4 Å²	135.4	95%	0.953	74%	0.743	S	S	*	*			trans	-82.2	108.8	168.7	-75.4	-179.8	-32.2	0	0	109.3
686	I	23.7	Very low	26.1	Very low	143 Å²	143	134.6 Å²	134.6	73%	0.733	75%	0.749	S	S	*	*			trans	-128.4	133.3	164.9	-60.5	-178.3	0	0	0	107.5	T684	T684-I686 PolarHBondContact O-N 2.89Å
687	S	21.7	Very low	24.9	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	74%	0.739	S	S	*	*			trans	-66.9	130.9	-170.3	50.9	0	0	0	0	113.3	P689	S687-P689 WeakPolarHBondContact O-CD 3.29Å
688	L	22.6	Very low	24.5	Very low	156 Å²	156	129.9 Å²	129.9	82%	0.817	73%	0.734	S	S	*	*			trans	-60.9	129.6	165	-83.9	70.8	0	0	0	110.1	S690	L688-S690 PolarHBondContact O-N 3.2Å
689	P	22.4	Very low	24.3	Very low	124 Å²	124	133.8 Å²	133.8	81%	0.805	73%	0.731	S	S	*	*			trans	-67.7	110.5	158.4	-15.1	30.7	0	0	0	108.5	S687 Q691	S687-P689 WeakPolarHBondContact O-CD 3.29Å; P689-Q691 PolarHBondContact O-N 3.25Å
690	S	22.6	Very low	24.2	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	73%	0.728	S	S	*	*			trans	-80.8	55.6	-170.4	61.1	0	0	0	0	113.5	L688	L688-S690 PolarHBondContact O-N 3.2Å
691	Q	23.3	Very low	24.2	Very low	171 Å²	171	131.7 Å²	131.7	80%	0.799	71%	0.709	S	S	*	*			trans	-143.8	79	177	-72.8	-166	-15.5	0	0	112.9	P689	P689-Q691 PolarHBondContact O-N 3.25Å
692	L	24.9	Very low	24.2	Very low	151 Å²	151	128.3 Å²	128.3	79%	0.791	69%	0.689	S	S	*	*			trans	-179.5	69.5	142.5	-100.3	163.1	0	0	0	108.6
693	E	22.6	Very low	24.4	Very low	126 Å²	126	128.3 Å²	128.3	59%	0.589	68%	0.683	S	S	*	*			trans	-79	138.7	170.1	-61.9	-180	94.3	0	0	110.7	K1090	E693-K1090 IonicContact OE1-NZ 2.66Å; E693-K1090 PolarHBondContact OE1-NZ 3.29Å; E693-K1090 WeakPolarHBondContact OE2-CE 3.25Å; E693-K1090 IonicContact OE2-NZ 3.76Å; E693-K1090 PolarHBondContact OE2-NZ 3.47Å
694	H	24.8	Very low	24.7	Very low	117 Å²	117	131 Å²	131	54%	0.542	68%	0.683	S	S	.	*			trans	67.8	149.2	168.6	-44.5	-48.3	0	0	0	114.7	K1090	H694-K1090 PolarHBondContact NE2-NZ 3.08Å
695	F	23.6	Very low	24.8	Very low	169 Å²	169	131.8 Å²	131.8	74%	0.741	68%	0.683	S	S	*	*			cis	-91.9	104.7	18.5	-77.7	-102.9	0	0	0	114.8	I697 L1094	F695-I697 HydrophobicContact CB-CG1 4.45Å; F695-I697 HydrophobicContact CD1-CG1 4.09Å; F695-L1094 HydrophobicContact CZ-CD1 4.47Å
696	S	23.3	Very low	25.1	Very low	92 Å²	92	126.2 Å²	126.2	64%	0.643	66%	0.659	S	S	*	*			trans	-85	96.6	142.8	172	0	0	0	0	106.3	D698	S696-D698 PolarHBondContact O-N 3.33Å; S696-D698 VanDerWaalsContact O-N 3.15Å
697	I	26.1	Very low	25.1	Very low	99 Å²	99	123.8 Å²	123.8	51%	0.508	65%	0.652	S	S	.	*			trans	-69.2	107.6	160.1	-64.5	179.1	0	0	0	105.5	F695 Y699	F695-I697 HydrophobicContact CB-CG1 4.45Å; F695-I697 HydrophobicContact CD1-CG1 4.09Å; I697-Y699 VanDerWaalsContact C-N 3.29Å; I697-Y699 HydrophobicContact CG2-CD2 4.07Å; I697-Y699 HydrophobicContact CG2-CE2 4.06Å; I697-Y699 PolarHBondContact O-N 3.41Å
698	D	25.5	Very low	25.4	Very low	79 Å²	79	126.5 Å²	126.5	42%	0.422	66%	0.658	S	S	.	*			trans	-75.1	83.8	-176.6	179.9	19.8	0	0	0	111.1	S696 K700 S701	S696-D698 PolarHBondContact O-N 3.33Å; S696-D698 VanDerWaalsContact O-N 3.15Å; D698-K700 PolarHBondContact O-N 2.81Å; D698-K700 WeakPolarHBondContact OD1-CB 3.33Å; D698-K700 PolarHBondContact OD1-N 3.07Å; D698-S701 PolarHBondContact O-N 3.34Å; D698-S701 PolarHBondContact O-OG 3.47Å; D698-S701 VanDerWaalsContact OD2-CB 3.22Å; D698-S701 WeakPolarHBondContact OD2-CB 3.32Å; D698-S701 PolarHBondContact OD2-N 3.35Å; D698-S701 PolarHBondContact OD2-OG 2.88Å
699	Y	28.4	Very low	25.6	Very low	141 Å²	141	126.4 Å²	126.4	55%	0.553	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-7.3	172.1	-96.7	-88.6	0	0	0	114.1	I697 I703 L714	I697-Y699 VanDerWaalsContact C-N 3.29Å; I697-Y699 HydrophobicContact CG2-CD2 4.07Å; I697-Y699 HydrophobicContact CG2-CE2 4.06Å; I697-Y699 PolarHBondContact O-N 3.41Å; Y699-I703 WeakPolarHBondContact O-CD1 3.24Å; Y699-I703 WeakPolarHBondContact O-CG1 3.45Å; Y699-L714 WeakPolarHBondContact OH-CD2 3.24Å
700	K	26.2	Very low	25.6	Very low	177 Å²	177	124.8 Å²	124.8	77%	0.77	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-23.8	176.4	-97.2	-173.5	170.6	-172.2	0	114.9	D698	D698-K700 PolarHBondContact O-N 2.81Å; D698-K700 WeakPolarHBondContact OD1-CB 3.33Å; D698-K700 PolarHBondContact OD1-N 3.07Å
701	S	27.3	Very low	25.7	Very low	66 Å²	66	128.6 Å²	128.6	46%	0.462	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-36	175.1	45.4	0	0	0	0	113	D698 I703 Q704	D698-S701 PolarHBondContact O-N 3.34Å; D698-S701 PolarHBondContact O-OG 3.47Å; D698-S701 VanDerWaalsContact OD2-CB 3.22Å; D698-S701 WeakPolarHBondContact OD2-CB 3.32Å; D698-S701 PolarHBondContact OD2-N 3.35Å; D698-S701 PolarHBondContact OD2-OG 2.88Å; S701-I703 PolarHBondContact O-N 3.02Å; S701-Q704 PolarHBondContact O-N 3.49Å
702	M	26.4	Very low	25.9	Very low	94 Å²	94	126 Å²	126	46%	0.463	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-63.1	-23.3	176.5	-83.6	-173.5	155.7	0	0	114.3	Q704 I706	M702-Q704 VanDerWaalsContact C-N 3.3Å; M702-Q704 PolarHBondContact O-N 3.28Å; M702-I706 WeakPolarHBondContact O-CD1 3.49Å; M702-I706 WeakPolarHBondContact O-CG1 3.34Å
703	I	28.9	Very low	25.9	Very low	124 Å²	124	123.1 Å²	123.1	64%	0.636	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-77.4	-9.5	-175.7	-69.7	-179.8	0	0	0	113.3	Y699 S701	Y699-I703 WeakPolarHBondContact O-CD1 3.24Å; Y699-I703 WeakPolarHBondContact O-CG1 3.45Å; S701-I703 PolarHBondContact O-N 3.02Å
704	Q	27.9	Very low	26.3	Very low	168 Å²	168	122.2 Å²	122.2	79%	0.785	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-94.5	-8.2	-175.8	-66.1	-165	-23.3	0	0	115.9	S701 M702	S701-Q704 PolarHBondContact O-N 3.49Å; M702-Q704 VanDerWaalsContact C-N 3.3Å; M702-Q704 PolarHBondContact O-N 3.28Å
705	N	27.5	Very low	26.5	Very low	147 Å²	147	121.1 Å²	121.1	79%	0.786	63%	0.626	S	S	*	*	S	Bend	trans	-126.4	1.9	-175.4	-74.6	-34.7	0	0	0	115.3
706	I	27.4	Very low	26.9	Very low	87 Å²	87	115.4 Å²	115.4	45%	0.446	60%	0.6	S	S	.	*	S	Bend	trans	-85.5	128.1	176.8	-61.6	171.7	0	0	0	108.9	M702	M702-I706 WeakPolarHBondContact O-CD1 3.49Å; M702-I706 WeakPolarHBondContact O-CG1 3.34Å
707	P	24.4	Very low	27.2	Very low	91 Å²	91	114 Å²	114	59%	0.591	59%	0.59	S	S	*	*			trans	-66.5	139.4	174	28.3	-34.1	0	0	0	110.5	N709	P707-N709 PolarHBondContact O-N 3.37Å
708	N	26.6	Very low	27.6	Very low	165 Å²	165	111.3 Å²	111.3	88%	0.882	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	7.1	-168	-65.1	-10.6	0	0	0	117.7
709	N	26.4	Very low	28.2	Very low	153 Å²	153	111.3 Å²	111.3	82%	0.818	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	25.1	-167.7	-62.4	29.4	0	0	0	113.2	P707	P707-N709 PolarHBondContact O-N 3.37Å
710	V	24.3	Very low	28.7	Very low	90 Å²	90	106.2 Å²	106.2	55%	0.545	56%	0.56	S	S	.	*			trans	-131.3	109.2	-179.8	-175.4	0	0	0	0	111
711	E	24.8	Very low	29.5	Very low	194 Å²	194	98.3 Å²	98.3	91%	0.907	53%	0.527	S	S	*	.			trans	-84.7	139	171.7	-61.5	-168.7	133.7	0	0	111.2
712	L	26.2	Very low	30.2	Very low	117 Å²	117	101.9 Å²	101.9	61%	0.613	54%	0.54	S	S	*	.			trans	-116.3	140.6	176.6	-73.9	169	0	0	0	111.6	L714	L712-L714 PolarHBondContact O-N 3.34Å
713	P	25.7	Very low	31.1	Very low	90 Å²	90	102.2 Å²	102.2	58%	0.584	54%	0.54	S	S	*	.			trans	-75.7	85.9	177.6	30.7	-33.8	0	0	0	111.3	E715	P713-E715 VanDerWaalsContact C-N 3.29Å; P713-E715 PolarHBondContact O-N 3.09Å
714	L	29.8	Very low	31.9	Very low	107 Å²	107	97.1 Å²	97.1	56%	0.56	52%	0.516	S	S	*	.			trans	-64.5	82.2	167.1	-104.1	153	0	0	0	111.4	Y699 L712	Y699-L714 WeakPolarHBondContact OH-CD2 3.24Å; L712-L714 PolarHBondContact O-N 3.34Å
715	E	30	Very low	32.8	Very low	93 Å²	93	92.5 Å²	92.5	44%	0.435	50%	0.502	S	S	.	.			trans	-137.8	175.9	171.5	-69.5	-178.2	-171.9	0	0	110	P713	P713-E715 VanDerWaalsContact C-N 3.29Å; P713-E715 PolarHBondContact O-N 3.09Å
716	W	31	Very low	33.9	Very low	49 Å²	49	85.9 Å²	85.9	19%	0.186	47%	0.467	C	S	.	.			trans	57.6	74.7	171.3	-43.7	83.6	0	0	0	117.9	H756 L759 N1070 I1073 N1074	W716-H756 AromaticContact CH2-CE1 3.98Å; W716-H756 AromaticContact CH2-ND1 3.26Å; W716-H756 VanDerWaalsContact CH2-ND1 3.26Å; W716-H756 WeakPolarHBondContact CH2-ND1 3.15Å; W716-H756 AromaticContact CZ2-CE1 3.43Å; W716-H756 VanDerWaalsContact CZ2-CE1 3.43Å; W716-H756 WeakPolarHBondContact CZ2-CE1 3.35Å; W716-H756 AromaticContact CZ2-ND1 3.21Å; W716-H756 WeakPolarHBondContact CZ2-ND1 3.35Å; W716-L759 HydrophobicContact CE3-CD1 4.15Å; W716-L759 HydrophobicContact CZ3-CD1 3.78Å; W716-L759 HydrophobicContact CZ3-CG 4.3Å; W716-N1070 PolarHBondContact O-ND2 2.85Å; W716-N1070 PolarHBondContact O-OD1 3.21Å; W716-I1073 HydrophobicContact CE3-CG2 3.94Å; W716-I1073 HydrophobicContact CH2-CG2 4.1Å; W716-I1073 HydrophobicContact CZ3-CG2 3.56Å; W716-N1074 WeakPolarHBondContact CB-ND2 3.49Å; W716-N1074 VanDerWaalsContact CG-ND2 3.27Å
717	S	31.2	Very low	35	Very low	63 Å²	63	86 Å²	86	44%	0.441	47%	0.474	S	S	.	.			trans	-147.6	124.9	148.1	59.7	0	0	0	0	112.8	I719	S717-I719 VanDerWaalsContact C-N 3.29Å; S717-I719 PolarHBondContact O-N 3.49Å; S717-I719 WeakPolarHBondContact OG-CG1 3.28Å
718	P	33.2	Very low	36.1	Very low	42 Å²	42	87.5 Å²	87.5	27%	0.273	48%	0.477	S	S	.	.			trans	-78.9	81.2	168	31.9	-31.7	0	0	0	108.9	L720 E736 L1066	P718-L720 PolarHBondContact O-N 3.15Å; P718-E736 WeakPolarHBondContact CA-O 3.4Å; P718-L1066 HydrophobicContact CG-CB 4.25Å
719	I	39.3	Very low	37.2	Very low	80 Å²	80	81.8 Å²	81.8	41%	0.41	46%	0.457	S	S	.	.			trans	-70.3	101.7	176.6	-51.9	-172.4	0	0	0	108.1	S717 I721 E736	S717-I719 VanDerWaalsContact C-N 3.29Å; S717-I719 PolarHBondContact O-N 3.49Å; S717-I719 WeakPolarHBondContact OG-CG1 3.28Å; I719-I721 HydrophobicContact CG2-CG1 4.04Å; I719-I721 PolarHBondContact O-N 3.26Å; I719-E736 HydrophobicContact CB-CB 4.27Å; I719-E736 PolarHBondContact O-N 3.35Å
720	L	38.4	Very low	38.3	Very low	34 Å²	34	77 Å²	77	18%	0.178	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	98.4	174.1	-162.1	156.4	0	0	0	107.7	P718 N722 I733 Y735 T1063	P718-L720 PolarHBondContact O-N 3.15Å; L720-N722 PolarHBondContact O-N 3.47Å; L720-I733 HydrophobicContact CD2-CG2 4.35Å; L720-Y735 HydrophobicContact CD1-CD1 4.22Å; L720-Y735 HydrophobicContact CD1-CE1 3.63Å; L720-Y735 HydrophobicContact CG-CD1 4.25Å; L720-Y735 HydrophobicContact CG-CE1 4.03Å; L720-T1063 HydrophobicContact CB-CG2 4.11Å; L720-T1063 HydrophobicContact CD1-CG2 4.45Å
721	I	43.3	Very low	39.5	Very low	11 Å²	11	79.2 Å²	79.2	6%	0.056	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.8	-174.6	-61.7	151.3	0	0	0	108.2	I671 M675 I719 F734	I671-I721 HydrophobicContact CB-CD1 4.29Å; I671-I721 HydrophobicContact CD1-CD1 3.94Å; I671-I721 HydrophobicContact CG1-CD1 3.8Å; I671-I721 HydrophobicContact CG2-CD1 3.54Å; I671-I721 HydrophobicContact CG2-CG1 4.28Å; M675-I721 HydrophobicContact CG-CG2 3.96Å; M675-I721 HydrophobicContact SD-CG2 3.6Å; I719-I721 HydrophobicContact CG2-CG1 4.04Å; I719-I721 PolarHBondContact O-N 3.26Å; I721-F734 HydrophobicContact CB-CB 4.11Å; I721-F734 HydrophobicContact CD1-CB 3.83Å; I721-F734 PolarHBondContact N-O 3.46Å
722	N	41.6	Very low	41	Very low	140 Å²	140	70 Å²	70	75%	0.749	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.8	145.5	-179.3	-77.6	-51.2	0	0	0	111.8	L720 C724	L720-N722 PolarHBondContact O-N 3.47Å; N722-C724 PolarHBondContact O-N 3.39Å
723	H	45.3	Very low	42.4	Very low	101 Å²	101	65.4 Å²	65.4	47%	0.468	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-31.1	93.6	-176	-59.8	-59.9	0	0	0	114.8	S725	H723-S725 PolarHBondContact O-N 3.18Å
724	C	45	Very low	44	Very low	17 Å²	17	61.3 Å²	61.3	12%	0.115	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125	165.4	-65.6	0	0	0	0	107.4	N722 M732 F734 W953	N722-C724 PolarHBondContact O-N 3.39Å; C724-M732 PolarHBondContact O-N 2.65Å; C724-F734 HydrophobicContact CB-CD2 4.17Å; C724-F734 HydrophobicContact CB-CE2 3.88Å; C724-W953 HydrophobicContact CB-CH2 4.33Å
725	S	46.6	Very low	45.3	Very low	72 Å²	72	56.9 Å²	56.9	50%	0.503	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.5	159.1	-55.4	0	0	0	0	106.2	H723 F730	H723-S725 PolarHBondContact O-N 3.18Å; S725-F730 WeakPolarHBondContact CA-O 3.15Å
726	S	52.1	Low	46.5	Very low	7 Å²	7	53 Å²	53	5%	0.049	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-65.7	170.9	172.2	72.3	0	0	0	0	111.1	N728 G729 F730 E957	S726-N728 PolarHBondContact O-N 3.15Å; S726-N728 VanDerWaalsContact O-N 3.13Å; S726-G729 PolarHBondContact O-N 3.14Å; S726-G729 PolarHBondContact OG-N 2.92Å; S726-F730 PolarHBondContact N-O 2.91Å; S726-F730 WeakPolarHBondContact OG-CB 3.42Å; S726-F730 PolarHBondContact OG-N 3.23Å; S726-E957 WeakPolarHBondContact CB-OE1 3.21Å; S726-E957 PolarHBondContact OG-OE1 3Å
727	P	50.4	Low	47.8	Very low	90 Å²	90	51.6 Å²	51.6	58%	0.584	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.2	176.5	-28.2	37.1	0	0	0	113.8	W953	P727-W953 HydrophobicContact CG-CG 4.44Å
728	N	47.8	Very low	48.8	Very low	122 Å²	122	50.9 Å²	50.9	65%	0.652	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	11.8	175.9	-63.2	-47.6	0	0	0	114.4	S726 F730 E957	S726-N728 PolarHBondContact O-N 3.15Å; S726-N728 VanDerWaalsContact O-N 3.13Å; N728-F730 HydrophobicContact CB-CD2 4.32Å; N728-F730 HydrophobicContact CB-CE2 4.29Å; N728-E957 WeakPolarHBondContact CB-OE1 3.5Å; N728-E957 PolarHBondContact N-OE1 3.24Å; N728-E957 PolarHBondContact ND2-OE2 3.05Å
729	G	48	Very low	49.9	Very low	46 Å²	46	49 Å²	49	47%	0.474	27%	0.271	S	S	.	.			trans	89.1	5.9	169	0	0	0	0	0	116.7	S726 K731	S726-G729 PolarHBondContact O-N 3.14Å; S726-G729 PolarHBondContact OG-N 2.92Å; G729-K731 PolarHBondContact O-N 3.15Å
730	F	49.7	Very low	50.1	Low	51 Å²	51	46 Å²	46	22%	0.224	26%	0.257	C	S	.	.			trans	-68.5	128.4	176.7	-69.4	-88.8	0	0	0	110.7	S725 S726 N728 M732 E957 N961	S725-F730 WeakPolarHBondContact CA-O 3.15Å; S726-F730 PolarHBondContact N-O 2.91Å; S726-F730 WeakPolarHBondContact OG-CB 3.42Å; S726-F730 PolarHBondContact OG-N 3.23Å; N728-F730 HydrophobicContact CB-CD2 4.32Å; N728-F730 HydrophobicContact CB-CE2 4.29Å; F730-M732 HydrophobicContact CB-CE 3.75Å; F730-M732 PolarHBondContact O-N 3.11Å; F730-E957 HydrophobicContact CD2-CG 4.11Å; F730-N961 WeakPolarHBondContact CZ-ND2 3.45Å; F730-N961 WeakPolarHBondContact CZ-OD1 3.03Å
731	K	50.8	Low	50.1	Low	138 Å²	138	49.8 Å²	49.8	60%	0.6	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	111.5	178.5	-70.9	174.4	-177.8	165.4	0	110.8	G729	G729-K731 PolarHBondContact O-N 3.15Å
732	M	55.1	Low	49.7	Very low	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	153.9	180	-55.8	-176.1	-164.7	0	0	111.1	I657 C724 F730 F734 W953 I956 E957 I960	I657-M732 HydrophobicContact CD1-CB 4.14Å; I657-M732 HydrophobicContact CD1-CG 4.26Å; I657-M732 HydrophobicContact CD1-SD 3.53Å; I657-M732 VanDerWaalsContact CD1-SD 3.53Å; C724-M732 PolarHBondContact O-N 2.65Å; F730-M732 HydrophobicContact CB-CE 3.75Å; F730-M732 PolarHBondContact O-N 3.11Å; M732-F734 HydrophobicContact CB-CD2 4.3Å; M732-F734 HydrophobicContact CB-CE2 3.81Å; M732-F734 HydrophobicContact CB-CZ 4.46Å; M732-F734 HydrophobicContact SD-CZ 4.36Å; M732-W953 HydrophobicContact CE-CZ3 4.15Å; M732-W953 HydrophobicContact SD-CZ3 3.79Å; M732-I956 HydrophobicContact CE-CG2 3.99Å; M732-I956 HydrophobicContact SD-CG2 3.77Å; M732-E957 HydrophobicContact CE-CG 4.1Å; M732-I960 HydrophobicContact CE-CD1 3.5Å; M732-I960 HydrophobicContact CG-CD1 4.33Å; M732-I960 HydrophobicContact SD-CD1 3.77Å
733	I	56	Low	48.9	Very low	21 Å²	21	52.2 Å²	52.2	11%	0.108	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.4	175.9	-55.3	174	0	0	0	107.8	P654 T655 I657 L720 Y735	P654-I733 HydrophobicContact CB-CD1 3.97Å; P654-I733 HydrophobicContact CB-CG1 4.22Å; P654-I733 HydrophobicContact CG-CD1 4.08Å; T655-I733 PolarHBondContact O-N 3.04Å; I657-I733 PolarHBondContact N-O 3.38Å; L720-I733 HydrophobicContact CD2-CG2 4.35Å; I733-Y735 HydrophobicContact CB-CE2 4.21Å; I733-Y735 HydrophobicContact CG2-CD2 4.25Å; I733-Y735 HydrophobicContact CG2-CE2 3.52Å
734	F	58.8	Low	48	Very low	3 Å²	3	53.3 Å²	53.3	1%	0.013	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136	-178.7	-69.2	-96.1	0	0	0	111.5	I657 I659 L674 I721 C724 M732 W953	I657-F734 HydrophobicContact CB-CD1 3.72Å; I657-F734 HydrophobicContact CB-CE1 3.93Å; I657-F734 HydrophobicContact CB-CG 4.31Å; I657-F734 HydrophobicContact CD1-CD1 4.28Å; I657-F734 HydrophobicContact CD1-CE1 3.66Å; I657-F734 HydrophobicContact CD1-CE2 4.32Å; I657-F734 HydrophobicContact CD1-CZ 3.69Å; I657-F734 HydrophobicContact CG1-CE1 4.38Å; I657-F734 HydrophobicContact CG2-CD1 3.64Å; I657-F734 HydrophobicContact CG2-CE1 3.68Å; I657-F734 WeakPolarHBondContact O-CA 3.5Å; I659-F734 HydrophobicContact CD1-CD1 3.91Å; I659-F734 HydrophobicContact CG1-CD1 4.41Å; L674-F734 HydrophobicContact CD1-CE1 4.04Å; L674-F734 HydrophobicContact CD1-CZ 4.44Å; I721-F734 HydrophobicContact CB-CB 4.11Å; I721-F734 HydrophobicContact CD1-CB 3.83Å; I721-F734 PolarHBondContact N-O 3.46Å; C724-F734 HydrophobicContact CB-CD2 4.17Å; C724-F734 HydrophobicContact CB-CE2 3.88Å; M732-F734 HydrophobicContact CB-CD2 4.3Å; M732-F734 HydrophobicContact CB-CE2 3.81Å; M732-F734 HydrophobicContact CB-CZ 4.46Å; M732-F734 HydrophobicContact SD-CZ 4.36Å; F734-W953 AromaticContact CE2-CH2 4Å; F734-W953 HydrophobicContact CE2-CH2 4Å; F734-W953 HydrophobicContact CE2-CZ3 4.46Å; F734-W953 AromaticContact CZ-CH2 3.89Å; F734-W953 HydrophobicContact CZ-CH2 3.89Å; F734-W953 HydrophobicContact CZ-CZ3 4.12Å
735	Y	57.3	Low	47.1	Very low	15 Å²	15	60.3 Å²	60.3	6%	0.059	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119	176.8	-60.7	-98.2	0	0	0	109.6	K656 I657 F658 I659 L720 I733 L766	K656-Y735 HydrophobicContact CB-CE2 4.03Å; K656-Y735 HydrophobicContact CD-CE2 4.45Å; K656-Y735 HydrophobicContact CG-CE2 4Å; I657-Y735 PolarHBondContact O-N 3.08Å; F658-Y735 HydrophobicContact CD1-CD2 4.11Å; F658-Y735 AromaticContact CD1-CG 3.96Å; F658-Y735 HydrophobicContact CD1-CG 3.96Å; F658-Y735 HydrophobicContact CE1-CD1 4.1Å; F658-Y735 AromaticContact CE1-CD2 3.69Å; F658-Y735 HydrophobicContact CE1-CD2 3.69Å; F658-Y735 HydrophobicContact CE1-CE2 4.34Å; F658-Y735 AromaticContact CE1-CG 3.56Å; F658-Y735 HydrophobicContact CE1-CG 3.56Å; F658-Y735 AromaticContact CZ-CD2 3.99Å; F658-Y735 HydrophobicContact CZ-CD2 3.99Å; F658-Y735 HydrophobicContact CZ-CE2 4.25Å; F658-Y735 HydrophobicContact CZ-CG 4.27Å; I659-Y735 PolarHBondContact N-O 3.24Å; L720-Y735 HydrophobicContact CD1-CD1 4.22Å; L720-Y735 HydrophobicContact CD1-CE1 3.63Å; L720-Y735 HydrophobicContact CG-CD1 4.25Å; L720-Y735 HydrophobicContact CG-CE1 4.03Å; I733-Y735 HydrophobicContact CB-CE2 4.21Å; I733-Y735 HydrophobicContact CG2-CD2 4.25Å; I733-Y735 HydrophobicContact CG2-CE2 3.52Å; Y735-L766 HydrophobicContact CD1-CD1 4.38Å; Y735-L766 HydrophobicContact CE1-CD1 4.08Å
736	E	56.2	Low	46.1	Very low	12 Å²	12	63.2 Å²	63.2	6%	0.056	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.2	167.7	-169.5	167.9	-169.1	0	0	109.8	K667 S668 I671 P718 I719	K667-E736 HydrophobicContact CB-CG 4.29Å; K667-E736 WeakPolarHBondContact CB-OE1 3.41Å; K667-E736 HydrophobicContact CD-CG 4.34Å; S668-E736 PolarHBondContact N-OE1 2.94Å; S668-E736 PolarHBondContact OG-OE1 3.26Å; I671-E736 HydrophobicContact CD1-CB 3.86Å; I671-E736 VanDerWaalsContact CD1-CD 3.46Å; I671-E736 HydrophobicContact CD1-CG 3.86Å; I671-E736 VanDerWaalsContact CD1-OE2 3.28Å; I671-E736 WeakPolarHBondContact CD1-OE2 3.45Å; P718-E736 WeakPolarHBondContact CA-O 3.4Å; I719-E736 HydrophobicContact CB-CB 4.27Å; I719-E736 PolarHBondContact O-N 3.35Å
737	I	58.5	Low	44.8	Very low	18 Å²	18	72.2 Å²	72.2	9%	0.092	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140	179.5	-64.7	-172	0	0	0	110.3	F658 I659 I660 K667 L739 L766 L767	F658-I737 HydrophobicContact CD1-CD1 3.46Å; F658-I737 VanDerWaalsContact CD1-CD1 3.46Å; F658-I737 HydrophobicContact CD1-CG1 4.23Å; F658-I737 HydrophobicContact CE1-CD1 3.69Å; I659-I737 PolarHBondContact O-N 2.79Å; I660-I737 HydrophobicContact CG1-CB 4.43Å; K667-I737 PolarHBondContact NZ-O 2.72Å; I737-L739 HydrophobicContact CG2-CD2 3.78Å; I737-L739 HydrophobicContact CG2-CG 4.35Å; I737-L766 HydrophobicContact CD1-CD2 3.87Å; I737-L767 HydrophobicContact CD1-CD2 4.32Å
738	T	52.2	Low	43.5	Very low	49 Å²	49	72.1 Å²	72.1	30%	0.301	39%	0.388	S	S	.	.			trans	-107.9	128.2	157.2	-47.5	0	0	0	0	106.7	K667	K667-T738 PolarHBondContact NZ-OG1 3.13Å
739	L	54.9	Low	42.3	Very low	1 Å²	1	74.3 Å²	74.3	1%	0.005	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-84	124.3	169.8	-61.4	-178.8	0	0	0	107.2	I660 I737 Q741 L763 K799	I660-L739 HydrophobicContact CG2-CD1 4.41Å; I660-L739 HydrophobicContact CG2-CG 4.37Å; I737-L739 HydrophobicContact CG2-CD2 3.78Å; I737-L739 HydrophobicContact CG2-CG 4.35Å; L739-Q741 PolarHBondContact O-N 3.19Å; L739-L763 HydrophobicContact CD2-CD2 3.92Å; L739-K799 HydrophobicContact CB-CD 4.11Å; L739-K799 HydrophobicContact CD1-CB 3.74Å; L739-K799 HydrophobicContact CD1-CD 4.32Å
740	P	44.1	Very low	41.1	Very low	17 Å²	17	78.5 Å²	78.5	11%	0.11	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-63.9	132.3	-174.7	25.5	-34.2	0	0	0	109.5	H756 L759 F795 K799	P740-H756 HydrophobicContact CB-CB 3.94Å; P740-H756 VanDerWaalsContact CB-CG 3.47Å; P740-H756 WeakPolarHBondContact CB-ND1 3.21Å; P740-H756 HydrophobicContact CG-CB 4.13Å; P740-L759 HydrophobicContact CG-CD1 3.88Å; P740-F795 WeakPolarHBondContact O-CE1 3.16Å; P740-F795 WeakPolarHBondContact O-CZ 3.21Å; P740-K799 PolarHBondContact O-NZ 3.42Å
741	Q	39.4	Very low	39.9	Very low	114 Å²	114	80.9 Å²	80.9	53%	0.533	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-61.9	149.3	-179.7	-68.3	178.6	-9.1	0	0	110.7	D662 L739	D662-Q741 PolarHBondContact OD1-NE2 2.72Å; D662-Q741 VanDerWaalsContact OD1-NE2 3.07Å; L739-Q741 PolarHBondContact O-N 3.19Å
742	L	33.4	Very low	38.6	Very low	130 Å²	130	80.3 Å²	80.3	68%	0.681	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-75.8	136.8	155.3	-82.4	169.2	0	0	0	106.1	D744 F795	L742-D744 PolarHBondContact O-N 2.96Å; L742-F795 HydrophobicContact CB-CE2 3.82Å; L742-F795 HydrophobicContact CB-CZ 4.42Å; L742-F795 HydrophobicContact CD1-CE2 3.92Å; L742-F795 HydrophobicContact CG-CE2 3.74Å; L742-F795 HydrophobicContact CG-CZ 4.33Å
743	C	26.2	Very low	37.1	Very low	73 Å²	73	84.3 Å²	84.3	49%	0.493	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-59.8	136.4	161	-70	0	0	0	0	108.3	C753	C743-C753 HydrophobicContact CB-CB 3.85Å; C743-C753 WeakPolarHBondContact CB-SG 3.29Å; C743-C753 WeakPolarHBondContact SG-CB 3.27Å; C743-C753 CovalentContact SG-SG 2.04Å; C743-C753 PolarHBondContact SG-SG 2.68Å
744	D	25.9	Very low	35.6	Very low	123 Å²	123	89.5 Å²	89.5	66%	0.658	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-59.1	145.9	174.6	-72.2	-64.2	0	0	0	110.8	L742 D746	L742-D744 PolarHBondContact O-N 2.96Å; D744-D746 PolarHBondContact O-N 2.81Å
745	L	26.3	Very low	34.4	Very low	164 Å²	164	96 Å²	96	86%	0.859	53%	0.527	S	S	*	.			trans	-81.1	45.5	-178.5	-79.7	162	0	0	0	111.7
746	D	23.9	Very low	33.4	Very low	133 Å²	133	98.1 Å²	98.1	71%	0.711	54%	0.538	S	S	*	.			trans	-83.6	129.1	172.4	-81.6	-30.7	0	0	0	110.4	D744 S748	D744-D746 PolarHBondContact O-N 2.81Å; D746-S748 PolarHBondContact O-N 3.34Å
747	H	26	Very low	32.4	Very low	197 Å²	197	101.4 Å²	101.4	91%	0.912	56%	0.562	S	S	*	*	S	Bend	trans	-78.6	44.5	-167	-76.5	-82.4	0	0	0	114.6
748	S	23.1	Very low	31.3	Very low	87 Å²	87	101.7 Å²	101.7	61%	0.608	57%	0.57	S	S	*	*	S	Bend	trans	-150.7	139.8	170.5	62.8	0	0	0	0	113.2	D746	D746-S748 PolarHBondContact O-N 3.34Å
749	H	23.2	Very low	30.7	Very low	168 Å²	168	101.4 Å²	101.4	78%	0.778	57%	0.566	S	S	*	*			trans	80.4	58.8	-178.8	-52.6	-63.4	0	0	0	118.3	S751	H749-S751 VanDerWaalsContact C-N 3.31Å; H749-S751 PolarHBondContact O-N 3.41Å
750	S	22	Very low	29.9	Very low	134 Å²	134	105.4 Å²	105.4	94%	0.937	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	47.6	179.6	51.5	0	0	0	0	117.3
751	S	24.3	Very low	29.6	Very low	102 Å²	102	108.6 Å²	108.6	71%	0.713	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.6	0.5	-173.1	64.9	0	0	0	0	119.8	H749	H749-S751 VanDerWaalsContact C-N 3.31Å; H749-S751 PolarHBondContact O-N 3.41Å
752	L	23.7	Very low	30	Very low	125 Å²	125	104.7 Å²	104.7	65%	0.654	58%	0.583	S	S	*	*	S	Bend	trans	-120.9	-21.8	-178.7	-77.3	97.5	0	0	0	117.5	N754	L752-N754 VanDerWaalsContact C-N 3.3Å; L752-N754 PolarHBondContact O-N 3.4Å
753	C	22.9	Very low	30.8	Very low	85 Å²	85	98.9 Å²	98.9	57%	0.574	55%	0.552	S	S	*	*			trans	-80	31.9	-162	-68.2	0	0	0	0	117.8	C743	C743-C753 HydrophobicContact CB-CB 3.85Å; C743-C753 WeakPolarHBondContact CB-SG 3.29Å; C743-C753 WeakPolarHBondContact SG-CB 3.27Å; C743-C753 CovalentContact SG-SG 2.04Å; C743-C753 PolarHBondContact SG-SG 2.68Å
754	N	25.7	Very low	31.8	Very low	129 Å²	129	98.5 Å²	98.5	69%	0.69	55%	0.549	S	S	*	.			trans	-99.2	14.8	-171.7	-101.2	-45.1	0	0	0	116	L752	L752-N754 VanDerWaalsContact C-N 3.3Å; L752-N754 PolarHBondContact O-N 3.4Å
755	Q	32.5	Very low	32.9	Very low	139 Å²	139	98.7 Å²	98.7	65%	0.65	55%	0.546	S	S	*	.			trans	-93.4	-7.6	-157.1	-61.5	-165.4	6.5	0	0	118.7
756	H	37	Very low	34.3	Very low	61 Å²	61	92.3 Å²	92.3	28%	0.282	51%	0.512	S	S	.	.			trans	-114.6	13	-162.3	-61.7	-59.7	0	0	0	118	W716 P740 G758 L759	W716-H756 AromaticContact CH2-CE1 3.98Å; W716-H756 AromaticContact CH2-ND1 3.26Å; W716-H756 VanDerWaalsContact CH2-ND1 3.26Å; W716-H756 WeakPolarHBondContact CH2-ND1 3.15Å; W716-H756 AromaticContact CZ2-CE1 3.43Å; W716-H756 VanDerWaalsContact CZ2-CE1 3.43Å; W716-H756 WeakPolarHBondContact CZ2-CE1 3.35Å; W716-H756 AromaticContact CZ2-ND1 3.21Å; W716-H756 WeakPolarHBondContact CZ2-ND1 3.35Å; P740-H756 HydrophobicContact CB-CB 3.94Å; P740-H756 VanDerWaalsContact CB-CG 3.47Å; P740-H756 WeakPolarHBondContact CB-ND1 3.21Å; P740-H756 HydrophobicContact CG-CB 4.13Å; H756-G758 PolarHBondContact O-N 3.33Å; H756-L759 PolarHBondContact O-N 3.13Å
757	S	35.3	Very low	36.1	Very low	81 Å²	81	86.4 Å²	86.4	57%	0.566	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.8	-171.1	60.7	0	0	0	0	116.6
758	G	35.5	Very low	37.9	Very low	24 Å²	24	78.7 Å²	78.7	25%	0.247	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-29.5	-177.6	0	0	0	0	0	115.2	H756 L761	H756-G758 PolarHBondContact O-N 3.33Å; G758-L761 WeakPolarHBondContact O-CB 3.46Å; G758-L761 PolarHBondContact O-N 3.47Å
759	L	38.6	Very low	39.6	Very low	43 Å²	43	77.5 Å²	77.5	23%	0.225	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-77.8	-32	-172.7	-78.2	168.1	0	0	0	113.2	W716 P740 H756 L761 I762 L763	W716-L759 HydrophobicContact CE3-CD1 4.15Å; W716-L759 HydrophobicContact CZ3-CD1 3.78Å; W716-L759 HydrophobicContact CZ3-CG 4.3Å; P740-L759 HydrophobicContact CG-CD1 3.88Å; H756-L759 PolarHBondContact O-N 3.13Å; L759-L761 PolarHBondContact O-N 3.11Å; L759-L761 VanDerWaalsContact O-N 3.14Å; L759-I762 PolarHBondContact O-N 3.04Å; L759-L763 HydrophobicContact CB-CD1 4.26Å; L759-L763 VanDerWaalsContact O-CG 3.28Å; L759-L763 WeakPolarHBondContact O-CG 3.42Å; L759-L763 PolarHBondContact O-N 2.65Å
760	E	38.8	Very low	41.2	Very low	84 Å²	84	76 Å²	76	39%	0.393	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-60.3	-23.8	174	-59.4	-165.2	-177.1	0	0	112.6	I762 P764 Y1304	E760-I762 VanDerWaalsContact C-N 3.3Å; E760-I762 PolarHBondContact O-N 3.14Å; E760-P764 VanDerWaalsContact O-CD 3.31Å; E760-P764 WeakPolarHBondContact O-CD 3.32Å; E760-Y1304 PolarHBondContact OE2-OH 2.91Å
761	L	38.9	Very low	43.4	Very low	85 Å²	85	70 Å²	70	45%	0.445	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-71.6	-25	175.7	-58	177.4	0	0	0	112.8	G758 L759 R1300	G758-L761 WeakPolarHBondContact O-CB 3.46Å; G758-L761 PolarHBondContact O-N 3.47Å; L759-L761 PolarHBondContact O-N 3.11Å; L759-L761 VanDerWaalsContact O-N 3.14Å; L761-R1300 VanDerWaalsContact O-CZ 3.29Å; L761-R1300 PolarHBondContact O-NH1 3.45Å; L761-R1300 PolarHBondContact O-NH2 2.94Å
762	I	46	Very low	45.7	Very low	32 Å²	32	66 Å²	66	16%	0.164	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-36.4	-168.5	-57.9	169.7	0	0	0	111.8	L759 E760 P764 H765 L766 L1066 I1069	L759-I762 PolarHBondContact O-N 3.04Å; E760-I762 VanDerWaalsContact C-N 3.3Å; E760-I762 PolarHBondContact O-N 3.14Å; I762-P764 VanDerWaalsContact C-CD 3.44Å; I762-P764 VanDerWaalsContact C-N 3.35Å; I762-H765 PolarHBondContact O-N 3.23Å; I762-L766 PolarHBondContact O-N 3.31Å; I762-L1066 HydrophobicContact CG2-CD2 4.39Å; I762-I1069 HydrophobicContact CD1-CG2 3.69Å
763	L	50.5	Low	48.2	Very low	7 Å²	7	60 Å²	60	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-50.9	-42.1	-176.4	-71.5	163.2	0	0	0	114.2	L739 L759 H765 L766 L767 Y803	L739-L763 HydrophobicContact CD2-CD2 3.92Å; L759-L763 HydrophobicContact CB-CD1 4.26Å; L759-L763 VanDerWaalsContact O-CG 3.28Å; L759-L763 WeakPolarHBondContact O-CG 3.42Å; L759-L763 PolarHBondContact O-N 2.65Å; L763-H765 PolarHBondContact O-N 3.26Å; L763-H765 VanDerWaalsContact O-N 3.15Å; L763-L766 PolarHBondContact O-N 2.83Å; L763-L767 HydrophobicContact CB-CD1 4.34Å; L763-L767 HydrophobicContact CD2-CD1 3.74Å; L763-L767 HydrophobicContact CD2-CG 4.17Å; L763-L767 PolarHBondContact O-N 2.78Å; L763-Y803 HydrophobicContact CB-CD1 4.04Å; L763-Y803 HydrophobicContact CB-CD2 4.15Å; L763-Y803 HydrophobicContact CB-CE1 4.13Å; L763-Y803 HydrophobicContact CB-CE2 4.24Å; L763-Y803 HydrophobicContact CB-CG 4.07Å; L763-Y803 HydrophobicContact CD1-CD2 4.24Å; L763-Y803 HydrophobicContact CD1-CE2 3.73Å
764	P	47.6	Very low	50.9	Low	65 Å²	65	56 Å²	56	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-66.8	-9.9	176.7	-20.4	33.3	0	0	0	115.9	E760 I762 Y803	E760-P764 VanDerWaalsContact O-CD 3.31Å; E760-P764 WeakPolarHBondContact O-CD 3.32Å; I762-P764 VanDerWaalsContact C-CD 3.44Å; I762-P764 VanDerWaalsContact C-N 3.35Å; P764-Y803 HydrophobicContact CG-CD1 4.01Å; P764-Y803 HydrophobicContact CG-CE1 4.15Å
765	H	49.5	Very low	53.6	Low	128 Å²	128	50 Å²	50	59%	0.593	27%	0.273	S	S	*	.	H	α-helix	trans	-109.2	-10.7	177.3	-57.5	-81.8	0	0	0	112.8	I762 L763	I762-H765 PolarHBondContact O-N 3.23Å; L763-H765 PolarHBondContact O-N 3.26Å; L763-H765 VanDerWaalsContact O-N 3.15Å
766	L	55.6	Low	56	Low	30 Å²	30	43.5 Å²	43.5	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-104.3	-39.5	-179	-177.4	61.8	0	0	0	112	F658 Y735 I737 I762 L763	F658-L766 HydrophobicContact CE1-CD1 4.33Å; F658-L766 HydrophobicContact CE1-CG 4.08Å; F658-L766 HydrophobicContact CZ-CD1 4.39Å; F658-L766 HydrophobicContact CZ-CG 4.24Å; F658-L766 VanDerWaalsContact CZ-O 3.26Å; F658-L766 WeakPolarHBondContact CZ-O 3.44Å; Y735-L766 HydrophobicContact CD1-CD1 4.38Å; Y735-L766 HydrophobicContact CE1-CD1 4.08Å; I737-L766 HydrophobicContact CD1-CD2 3.87Å; I762-L766 PolarHBondContact O-N 3.31Å; L763-L766 PolarHBondContact O-N 2.83Å
767	L	61.9	Low	57.9	Low	8 Å²	8	40.8 Å²	40.8	4%	0.042	23%	0.23	C	C	.	.			trans	-90.5	137.2	-179.2	-54.6	-178.9	0	0	0	110.3	F658 I737 L763 Y773 L800 Y803 A804	F658-L767 HydrophobicContact CD1-CD2 4.17Å; F658-L767 HydrophobicContact CD2-CD2 4.37Å; F658-L767 HydrophobicContact CE1-CD2 4.05Å; F658-L767 HydrophobicContact CE2-CD2 4.24Å; F658-L767 HydrophobicContact CG-CD2 4.34Å; F658-L767 HydrophobicContact CZ-CD2 4.1Å; I737-L767 HydrophobicContact CD1-CD2 4.32Å; L763-L767 HydrophobicContact CB-CD1 4.34Å; L763-L767 HydrophobicContact CD2-CD1 3.74Å; L763-L767 HydrophobicContact CD2-CG 4.17Å; L763-L767 PolarHBondContact O-N 2.78Å; L767-Y773 HydrophobicContact CD2-CE1 4.03Å; L767-L800 HydrophobicContact CD1-CD2 4.44Å; L767-Y803 HydrophobicContact CD1-CD2 4.21Å; L767-Y803 HydrophobicContact CD1-CG 4.22Å; L767-A804 HydrophobicContact CB-CB 4.2Å
768	D	63.1	Low	59.8	Low	35 Å²	35	38.1 Å²	38.1	19%	0.187	21%	0.209	C	C	.	.			trans	-146.7	157.3	175.7	67.7	54.5	0	0	0	111.5	K656 N770 S771 Y773	K656-D768 IonicContact NZ-OD2 2.64Å; K656-D768 PolarHBondContact NZ-OD2 3.48Å; D768-N770 PolarHBondContact O-N 3.22Å; D768-N770 WeakPolarHBondContact OD1-CA 3.47Å; D768-N770 WeakPolarHBondContact OD1-CB 3.44Å; D768-N770 PolarHBondContact OD1-N 2.82Å; D768-S771 VanDerWaalsContact CG-OG 3.28Å; D768-S771 WeakPolarHBondContact O-CB 3.39Å; D768-S771 PolarHBondContact O-N 3.43Å; D768-S771 PolarHBondContact O-OG 2.73Å; D768-S771 PolarHBondContact OD1-N 3.25Å; D768-S771 VanDerWaalsContact OD1-N 3.12Å; D768-S771 PolarHBondContact OD1-OG 3.01Å; D768-Y773 PolarHBondContact N-OH 2.91Å; D768-Y773 PolarHBondContact O-OH 3.24Å
769	S	58.4	Low	61.5	Low	63 Å²	63	37 Å²	37	44%	0.441	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.3	-178	61.4	0	0	0	0	114.5	P805	S769-P805 VanDerWaalsContact CB-O 3.31Å; S769-P805 WeakPolarHBondContact CB-O 3.49Å
770	N	57.8	Low	62.9	Low	137 Å²	137	35.7 Å²	35.7	73%	0.733	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	4.9	178.9	-61	-40.3	0	0	0	112	D768	D768-N770 PolarHBondContact O-N 3.22Å; D768-N770 WeakPolarHBondContact OD1-CA 3.47Å; D768-N770 WeakPolarHBondContact OD1-CB 3.44Å; D768-N770 PolarHBondContact OD1-N 2.82Å
771	S	67	Low	64.1	Low	7 Å²	7	34.5 Å²	34.5	5%	0.049	19%	0.187	C	C	.	.	S	Bend	trans	-99	151	-178.7	-59.9	0	0	0	0	111.7	K656 D768 Y773	K656-S771 WeakPolarHBondContact CB-OG 3.4Å; K656-S771 WeakPolarHBondContact CD-OG 3.29Å; D768-S771 VanDerWaalsContact CG-OG 3.28Å; D768-S771 WeakPolarHBondContact O-CB 3.39Å; D768-S771 PolarHBondContact O-N 3.43Å; D768-S771 PolarHBondContact O-OG 2.73Å; D768-S771 PolarHBondContact OD1-N 3.25Å; D768-S771 VanDerWaalsContact OD1-N 3.12Å; D768-S771 PolarHBondContact OD1-OG 3.01Å; S771-Y773 WeakPolarHBondContact O-CD2 3.14Å; S771-Y773 WeakPolarHBondContact O-CE2 3.28Å
772	F	72.9	Confident	65.4	Low	17 Å²	17	30.7 Å²	30.7	8%	0.075	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.9	176.5	-173.4	-108.6	0	0	0	110.8	T655 K656 I657 F658 I774 I808 K810 L910 I956	T655-F772 HydrophobicContact CG2-CB 4.43Å; K656-F772 PolarHBondContact O-N 3.42Å; I657-F772 WeakPolarHBondContact CA-O 3.42Å; I657-F772 HydrophobicContact CG1-CB 4.36Å; I657-F772 HydrophobicContact CG2-CD1 4.35Å; F658-F772 PolarHBondContact N-O 3.45Å; F772-I774 HydrophobicContact CD1-CD1 4.43Å; F772-I774 HydrophobicContact CD1-CG1 4.05Å; F772-I774 HydrophobicContact CE1-CD1 4.14Å; F772-I774 HydrophobicContact CE1-CG1 3.74Å; F772-I808 HydrophobicContact CD2-CG2 4.41Å; F772-I808 HydrophobicContact CE2-CG2 4.11Å; F772-K810 HydrophobicContact CE1-CB 4.48Å; F772-K810 HydrophobicContact CZ-CB 3.97Å; F772-L910 HydrophobicContact CE2-CD1 4.45Å; F772-I956 HydrophobicContact CE1-CG1 4.11Å
773	Y	76.3	Confident	66	Low	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.2	-171.8	-70.1	-85	0	0	0	111.6	F658 I660 L767 D768 S771 L800 A804 S807 I808 I809 K810	F658-Y773 HydrophobicContact CB-CD1 3.52Å; F658-Y773 HydrophobicContact CB-CE1 3.56Å; F658-Y773 HydrophobicContact CB-CG 4.46Å; F658-Y773 HydrophobicContact CD2-CD1 4.07Å; F658-Y773 AromaticContact CD2-CE1 3.35Å; F658-Y773 HydrophobicContact CD2-CE1 3.35Å; F658-Y773 HydrophobicContact CD2-CE2 4.43Å; F658-Y773 AromaticContact CD2-CZ 3.57Å; F658-Y773 HydrophobicContact CE2-CE1 4.25Å; F658-Y773 HydrophobicContact CG-CD1 4.13Å; F658-Y773 AromaticContact CG-CE1 3.63Å; F658-Y773 HydrophobicContact CG-CE1 3.63Å; I660-Y773 HydrophobicContact CD1-CD1 3.72Å; I660-Y773 HydrophobicContact CD1-CE1 4.18Å; L767-Y773 HydrophobicContact CD2-CE1 4.03Å; D768-Y773 PolarHBondContact N-OH 2.91Å; D768-Y773 PolarHBondContact O-OH 3.24Å; S771-Y773 WeakPolarHBondContact O-CD2 3.14Å; S771-Y773 WeakPolarHBondContact O-CE2 3.28Å; Y773-L800 HydrophobicContact CD1-CD1 4.24Å; Y773-L800 HydrophobicContact CD1-CD2 3.56Å; Y773-L800 HydrophobicContact CE1-CD2 3.43Å; Y773-L800 VanDerWaalsContact CE1-CD2 3.43Å; Y773-L800 HydrophobicContact CG-CD2 4.28Å; Y773-A804 HydrophobicContact CE2-CB 4.38Å; Y773-S807 WeakPolarHBondContact CE2-OG 3.29Å; Y773-I808 PolarHBondContact N-O 2.96Å; Y773-I809 WeakPolarHBondContact O-CA 3.23Å; Y773-K810 PolarHBondContact O-N 3.09Å
774	I	81.1	Confident	66.6	Low	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.3	175.9	-56.5	176.2	0	0	0	107.5	I657 F658 I660 F772 L776 L812 I956	I657-I774 HydrophobicContact CG2-CD1 3.83Å; I657-I774 HydrophobicContact CG2-CG1 4.28Å; F658-I774 PolarHBondContact O-N 2.85Å; I660-I774 PolarHBondContact N-O 3.33Å; F772-I774 HydrophobicContact CD1-CD1 4.43Å; F772-I774 HydrophobicContact CD1-CG1 4.05Å; F772-I774 HydrophobicContact CE1-CD1 4.14Å; F772-I774 HydrophobicContact CE1-CG1 3.74Å; I774-L776 HydrophobicContact CG2-CG 4.33Å; I774-L812 HydrophobicContact CG2-CB 4.33Å; I774-L812 HydrophobicContact CG2-CD2 4.49Å; I774-I956 HydrophobicContact CD1-CD1 4.17Å
775	L	82.1	Confident	67.4	Low	3 Å²	3	38.9 Å²	38.9	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.6	178.4	179.2	56.8	0	0	0	109.9	I660 I793 H796 L797 I809 K810 L811 L812	I660-L775 HydrophobicContact CB-CD1 4.33Å; I660-L775 HydrophobicContact CG2-CD1 3.87Å; I660-L775 WeakPolarHBondContact O-CA 3.31Å; L775-I793 HydrophobicContact CD2-CG2 4.34Å; L775-H796 HydrophobicContact CD1-CB 3.69Å; L775-H796 HydrophobicContact CD2-CB 3.97Å; L775-L797 HydrophobicContact CD2-CD2 4.19Å; L775-L797 HydrophobicContact CD2-CG 4.26Å; L775-I809 HydrophobicContact CB-CG2 3.94Å; L775-K810 PolarHBondContact N-O 3.17Å; L775-L811 HydrophobicContact CB-CD2 4.18Å; L775-L811 HydrophobicContact CD2-CD2 3.88Å; L775-L811 HydrophobicContact CG-CD2 4.04Å; L775-L812 PolarHBondContact O-N 3.44Å
776	L	82.6	Confident	67.8	Low	2 Å²	2	36 Å²	36	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.3	-174.9	-70.4	156.7	0	0	0	111.6	I659 I660 S665 K667 L670 I774 L812 T814	I659-L776 HydrophobicContact CG2-CD1 3.42Å; I659-L776 VanDerWaalsContact CG2-CD1 3.42Å; I660-L776 PolarHBondContact O-N 2.77Å; S665-L776 WeakPolarHBondContact CB-O 3.29Å; K667-L776 HydrophobicContact CB-CD1 4.2Å; K667-L776 HydrophobicContact CG-CD1 3.73Å; L670-L776 HydrophobicContact CD2-CD1 4.14Å; L670-L776 HydrophobicContact CD2-CD2 4.05Å; I774-L776 HydrophobicContact CG2-CG 4.33Å; L776-L812 WeakPolarHBondContact CA-O 3.35Å; L776-L812 HydrophobicContact CD2-CB 3.82Å; L776-L812 HydrophobicContact CD2-CD2 3.61Å; L776-L812 HydrophobicContact CD2-CG 4.19Å; L776-T814 HydrophobicContact CD2-CG2 3.51Å
777	F	77.1	Confident	67.9	Low	5 Å²	5	39.7 Å²	39.7	2%	0.022	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152	169.6	66.6	-85.1	0	0	0	110.3	F782 T789 I793 L812 G813 T814 I879 I913 F915	F777-F782 HydrophobicContact CD2-CB 4.47Å; F777-F782 HydrophobicContact CD2-CD2 4.18Å; F777-F782 HydrophobicContact CE2-CD2 4.41Å; F777-T789 HydrophobicContact CB-CG2 4.21Å; F777-I793 HydrophobicContact CB-CD1 4.24Å; F777-I793 HydrophobicContact CD1-CD1 4.34Å; F777-I793 HydrophobicContact CG-CD1 4.24Å; F777-L812 WeakPolarHBondContact CD1-O 3.39Å; F777-L812 PolarHBondContact N-O 2.78Å; F777-L812 VanDerWaalsContact N-O 3.12Å; F777-G813 VanDerWaalsContact CZ-CA 3.46Å; F777-T814 PolarHBondContact O-N 2.91Å; F777-T814 PolarHBondContact O-OG1 2.95Å; F777-I879 HydrophobicContact CZ-CD1 4.49Å; F777-I913 HydrophobicContact CE1-CG2 3.99Å; F777-I913 HydrophobicContact CZ-CG2 3.85Å; F777-F915 HydrophobicContact CE2-CE1 4.32Å; F777-F915 HydrophobicContact CZ-CE1 4.09Å
778	N	75.3	Confident	68.1	Low	24 Å²	24	45.2 Å²	45.2	13%	0.128	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.1	179	-177.6	-46.7	0	0	0	109.5	F664 N780 L781 F782	F664-N778 WeakPolarHBondContact O-CB 3.5Å; F664-N778 PolarHBondContact O-ND2 3.19Å; N778-N780 PolarHBondContact O-N 3.07Å; N778-N780 PolarHBondContact OD1-N 3.19Å; N778-L781 HydrophobicContact CB-CB 4.14Å; N778-L781 HydrophobicContact CB-CD1 4.03Å; N778-L781 HydrophobicContact CB-CG 4.3Å; N778-L781 PolarHBondContact OD1-N 2.94Å; N778-F782 WeakPolarHBondContact O-CB 3.41Å; N778-F782 PolarHBondContact O-N 3.24Å
779	T	70.5	Confident	68.1	Low	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72.5	-28.5	-172.5	-44.6	0	0	0	0	112.6	I783 T814 C816 I819 F872 F915	T779-I783 WeakPolarHBondContact O-CD1 3.1Å; T779-I783 WeakPolarHBondContact O-CG1 3.45Å; T779-I783 PolarHBondContact O-N 3.48Å; T779-T814 VanDerWaalsContact CB-O 3.27Å; T779-T814 WeakPolarHBondContact CB-O 3.47Å; T779-T814 PolarHBondContact N-O 3.46Å; T779-T814 PolarHBondContact OG1-O 3.35Å; T779-C816 PolarHBondContact OG1-SG 2.69Å; T779-I819 HydrophobicContact CG2-CD1 3.83Å; T779-F872 HydrophobicContact CG2-CE1 4.14Å; T779-F915 HydrophobicContact CG2-CD1 4.34Å; T779-F915 HydrophobicContact CG2-CE1 4.05Å
780	N	67.3	Low	68.3	Low	16 Å²	16	41.9 Å²	41.9	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-73.2	-46.9	176.2	-59.2	-21.5	0	0	0	110.3	N778 F782 I783 E784 H815 Q818 I819	N778-N780 PolarHBondContact O-N 3.07Å; N778-N780 PolarHBondContact OD1-N 3.19Å; N780-F782 PolarHBondContact O-N 2.99Å; N780-I783 WeakPolarHBondContact O-CA 3.49Å; N780-I783 WeakPolarHBondContact O-CB 3.25Å; N780-I783 PolarHBondContact O-N 3.33Å; N780-E784 WeakPolarHBondContact O-CG 3.26Å; N780-E784 PolarHBondContact O-N 3.47Å; N780-H815 PolarHBondContact ND2-O 2.97Å; N780-H815 VanDerWaalsContact ND2-O 3.09Å; N780-H815 PolarHBondContact OD1-O 3.4Å; N780-H815 VanDerWaalsContact OD1-O 3.06Å; N780-Q818 PolarHBondContact ND2-OE1 2.89Å; N780-I819 WeakPolarHBondContact OD1-CG1 3.36Å
781	L	65.5	Low	68.5	Low	60 Å²	60	38.7 Å²	38.7	31%	0.314	19%	0.191	S	C	.	.	H	α-helix	trans	-63.2	-28.8	174.9	-69.9	173.1	0	0	0	112.7	F664 N778 I783 N785 T789	F664-L781 HydrophobicContact CB-CD1 3.53Å; F664-L781 HydrophobicContact CD2-CD1 4.23Å; F664-L781 HydrophobicContact CG-CD1 4.11Å; N778-L781 HydrophobicContact CB-CB 4.14Å; N778-L781 HydrophobicContact CB-CD1 4.03Å; N778-L781 HydrophobicContact CB-CG 4.3Å; N778-L781 PolarHBondContact OD1-N 2.94Å; L781-I783 VanDerWaalsContact C-N 3.29Å; L781-I783 PolarHBondContact O-N 2.87Å; L781-N785 CarbonylContact O-C 3.6Å; L781-N785 WeakPolarHBondContact O-CA 3.34Å; L781-N785 PolarHBondContact O-N 3.13Å; L781-T789 PolarHBondContact O-OG1 3.19Å
782	F	64.4	Low	68.5	Low	4 Å²	4	39 Å²	39	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-33.2	171.4	-168.1	-78.5	0	0	0	112.5	F777 N778 N780 F786 T789 V790 L875 I879	F777-F782 HydrophobicContact CD2-CB 4.47Å; F777-F782 HydrophobicContact CD2-CD2 4.18Å; F777-F782 HydrophobicContact CE2-CD2 4.41Å; N778-F782 WeakPolarHBondContact O-CB 3.41Å; N778-F782 PolarHBondContact O-N 3.24Å; N780-F782 PolarHBondContact O-N 2.99Å; F782-F786 HydrophobicContact CD1-CD2 4.24Å; F782-F786 AromaticContact CE1-CD2 3.46Å; F782-F786 HydrophobicContact CE1-CD2 3.46Å; F782-F786 VanDerWaalsContact CE1-CD2 3.46Å; F782-F786 AromaticContact CE1-CE2 3.68Å; F782-F786 HydrophobicContact CE1-CE2 3.68Å; F782-F786 HydrophobicContact CE2-CE2 4.5Å; F782-F786 AromaticContact CZ-CD2 3.61Å; F782-F786 HydrophobicContact CZ-CD2 3.61Å; F782-F786 AromaticContact CZ-CE2 3.47Å; F782-F786 HydrophobicContact CZ-CE2 3.47Å; F782-F786 VanDerWaalsContact CZ-CE2 3.47Å; F782-F786 VanDerWaalsContact O-CA 3.26Å; F782-F786 WeakPolarHBondContact O-CA 3.47Å; F782-F786 PolarHBondContact O-N 3.46Å; F782-T789 HydrophobicContact CB-CG2 4.12Å; F782-T789 HydrophobicContact CD2-CG2 3.61Å; F782-T789 HydrophobicContact CG-CG2 4.32Å; F782-V790 HydrophobicContact CE2-CG2 4.22Å; F782-V790 HydrophobicContact CZ-CG2 4.37Å; F782-L875 HydrophobicContact CD1-CD2 3.52Å; F782-L875 HydrophobicContact CD1-CG 4.07Å; F782-L875 HydrophobicContact CE1-CD2 3.71Å; F782-L875 HydrophobicContact CE1-CG 3.78Å; F782-L875 HydrophobicContact CG-CD2 4.44Å; F782-I879 HydrophobicContact CD2-CD1 4.46Å; F782-I879 HydrophobicContact CE1-CD1 4.25Å; F782-I879 HydrophobicContact CE1-CG1 4.32Å; F782-I879 HydrophobicContact CE2-CD1 3.7Å; F782-I879 HydrophobicContact CE2-CG1 3.7Å; F782-I879 HydrophobicContact CZ-CD1 3.59Å; F782-I879 HydrophobicContact CZ-CG1 3.38Å
783	I	60.6	Low	68.3	Low	55 Å²	55	38.8 Å²	38.8	28%	0.282	19%	0.192	S	C	.	.	H	α-helix	trans	-82	-38.2	178.7	-66.7	163.5	0	0	0	110.9	T779 N780 L781 I819	T779-I783 WeakPolarHBondContact O-CD1 3.1Å; T779-I783 WeakPolarHBondContact O-CG1 3.45Å; T779-I783 PolarHBondContact O-N 3.48Å; N780-I783 WeakPolarHBondContact O-CA 3.49Å; N780-I783 WeakPolarHBondContact O-CB 3.25Å; N780-I783 PolarHBondContact O-N 3.33Å; L781-I783 VanDerWaalsContact C-N 3.29Å; L781-I783 PolarHBondContact O-N 2.87Å; I783-I819 HydrophobicContact CD1-CD1 3.73Å; I783-I819 HydrophobicContact CD1-CG1 3.82Å; I783-I819 HydrophobicContact CD1-CG2 4.07Å
784	E	61.1	Low	67.7	Low	154 Å²	154	39.7 Å²	39.7	72%	0.72	20%	0.199	S	C	*	.	H	α-helix	trans	-76.5	-38.5	179.1	-67.6	174.3	162.7	0	0	112.9	N780	N780-E784 WeakPolarHBondContact O-CG 3.26Å; N780-E784 PolarHBondContact O-N 3.47Å
785	N	66.3	Low	67	Low	68 Å²	68	41.1 Å²	41.1	36%	0.364	21%	0.205	S	C	.	.			trans	-140.3	77.4	177.6	-164.4	-14.1	0	0	0	111.7	L781 Q787 Q788 T789	L781-N785 CarbonylContact O-C 3.6Å; L781-N785 WeakPolarHBondContact O-CA 3.34Å; L781-N785 PolarHBondContact O-N 3.13Å; N785-Q787 PolarHBondContact O-N 3.47Å; N785-Q788 HydrophobicContact CB-CB 4.29Å; N785-Q788 VanDerWaalsContact CG-CB 3.44Å; N785-Q788 WeakPolarHBondContact ND2-CB 3.36Å; N785-Q788 PolarHBondContact ND2-OE1 3.22Å; N785-Q788 WeakPolarHBondContact OD1-CB 3.38Å; N785-Q788 PolarHBondContact OD1-N 2.91Å; N785-T789 PolarHBondContact O-N 3.14Å; N785-T789 PolarHBondContact O-OG1 3.21Å
786	F	58	Low	66.3	Low	68 Å²	68	41 Å²	41	30%	0.298	20%	0.204	S	C	.	.	H	α-helix	trans	-50.8	-53.2	178.4	173.8	-92.4	0	0	0	113	F782 Q788 T789 V790 H878	F782-F786 HydrophobicContact CD1-CD2 4.24Å; F782-F786 AromaticContact CE1-CD2 3.46Å; F782-F786 HydrophobicContact CE1-CD2 3.46Å; F782-F786 VanDerWaalsContact CE1-CD2 3.46Å; F782-F786 AromaticContact CE1-CE2 3.68Å; F782-F786 HydrophobicContact CE1-CE2 3.68Å; F782-F786 HydrophobicContact CE2-CE2 4.5Å; F782-F786 AromaticContact CZ-CD2 3.61Å; F782-F786 HydrophobicContact CZ-CD2 3.61Å; F782-F786 AromaticContact CZ-CE2 3.47Å; F782-F786 HydrophobicContact CZ-CE2 3.47Å; F782-F786 VanDerWaalsContact CZ-CE2 3.47Å; F782-F786 VanDerWaalsContact O-CA 3.26Å; F782-F786 WeakPolarHBondContact O-CA 3.47Å; F782-F786 PolarHBondContact O-N 3.46Å; F786-Q788 PolarHBondContact O-N 3.34Å; F786-T789 PolarHBondContact O-N 2.64Å; F786-V790 HydrophobicContact CD1-CG2 4.38Å; F786-V790 HydrophobicContact CD2-CG2 4.42Å; F786-V790 HydrophobicContact CE1-CG2 3.86Å; F786-V790 HydrophobicContact CE2-CG2 3.93Å; F786-V790 HydrophobicContact CZ-CG2 3.6Å; F786-V790 WeakPolarHBondContact O-CG2 3.23Å; F786-V790 PolarHBondContact O-N 2.88Å; F786-H878 AromaticContact CE1-NE2 3.87Å; F786-H878 AromaticContact CZ-CD2 3.72Å; F786-H878 AromaticContact CZ-CE1 3.99Å; F786-H878 AromaticContact CZ-NE2 3.2Å; F786-H878 WeakPolarHBondContact CZ-NE2 3.34Å
787	Q	57.7	Low	65.7	Low	106 Å²	106	41.9 Å²	41.9	50%	0.495	21%	0.209	S	C	.	.	H	α-helix	trans	-67.2	-41.7	-171.4	-171.9	61.9	46.4	0	0	111.9	N785 T789 V790 N791	N785-Q787 PolarHBondContact O-N 3.47Å; Q787-T789 VanDerWaalsContact C-N 3.35Å; Q787-T789 PolarHBondContact O-N 3.16Å; Q787-V790 PolarHBondContact O-N 3.37Å; Q787-N791 PolarHBondContact NE2-OD1 3.19Å; Q787-N791 WeakPolarHBondContact O-CB 3.47Å; Q787-N791 VanDerWaalsContact O-CG 3.28Å; Q787-N791 PolarHBondContact O-N 3.35Å; Q787-N791 PolarHBondContact O-OD1 3.09Å
788	Q	64.6	Low	65	Low	125 Å²	125	44.7 Å²	44.7	58%	0.584	22%	0.224	S	C	*	.	H	α-helix	trans	-63.8	-41.5	177	-171.4	177.3	35.5	0	0	111.5	N785 F786 N791 S792	N785-Q788 HydrophobicContact CB-CB 4.29Å; N785-Q788 VanDerWaalsContact CG-CB 3.44Å; N785-Q788 WeakPolarHBondContact ND2-CB 3.36Å; N785-Q788 PolarHBondContact ND2-OE1 3.22Å; N785-Q788 WeakPolarHBondContact OD1-CB 3.38Å; N785-Q788 PolarHBondContact OD1-N 2.91Å; F786-Q788 PolarHBondContact O-N 3.34Å; Q788-N791 PolarHBondContact O-N 2.84Å; Q788-S792 PolarHBondContact O-N 3.11Å
789	T	63.4	Low	64.4	Low	15 Å²	15	44.7 Å²	44.7	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-69.7	-37.1	179.8	-48.4	0	0	0	0	111.7	F777 L781 F782 N785 F786 Q787 I793	F777-T789 HydrophobicContact CB-CG2 4.21Å; L781-T789 PolarHBondContact O-OG1 3.19Å; F782-T789 HydrophobicContact CB-CG2 4.12Å; F782-T789 HydrophobicContact CD2-CG2 3.61Å; F782-T789 HydrophobicContact CG-CG2 4.32Å; N785-T789 PolarHBondContact O-N 3.14Å; N785-T789 PolarHBondContact O-OG1 3.21Å; F786-T789 PolarHBondContact O-N 2.64Å; Q787-T789 VanDerWaalsContact C-N 3.35Å; Q787-T789 PolarHBondContact O-N 3.16Å; T789-I793 WeakPolarHBondContact O-CG1 3.48Å; T789-I793 PolarHBondContact O-N 3.09Å; T789-I793 VanDerWaalsContact O-N 3.16Å
790	V	63.7	Low	64.2	Low	13 Å²	13	44.7 Å²	44.7	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-52.3	169.5	165.1	0	0	0	0	111	F782 F786 Q787 S792 I793 C794 T882	F782-V790 HydrophobicContact CE2-CG2 4.22Å; F782-V790 HydrophobicContact CZ-CG2 4.37Å; F786-V790 HydrophobicContact CD1-CG2 4.38Å; F786-V790 HydrophobicContact CD2-CG2 4.42Å; F786-V790 HydrophobicContact CE1-CG2 3.86Å; F786-V790 HydrophobicContact CE2-CG2 3.93Å; F786-V790 HydrophobicContact CZ-CG2 3.6Å; F786-V790 WeakPolarHBondContact O-CG2 3.23Å; F786-V790 PolarHBondContact O-N 2.88Å; Q787-V790 PolarHBondContact O-N 3.37Å; V790-S792 VanDerWaalsContact C-N 3.26Å; V790-S792 PolarHBondContact O-N 3.37Å; V790-I793 PolarHBondContact O-N 3.4Å; V790-C794 PolarHBondContact O-N 2.83Å; V790-C794 PolarHBondContact O-SG 2.97Å; V790-T882 HydrophobicContact CG1-CG2 3.7Å
791	N	61.5	Low	63.9	Low	70 Å²	70	46.7 Å²	46.7	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-54.6	-41.9	-179.8	-74.2	7	0	0	0	111.9	Q787 Q788 C794 F795	Q787-N791 PolarHBondContact NE2-OD1 3.19Å; Q787-N791 WeakPolarHBondContact O-CB 3.47Å; Q787-N791 VanDerWaalsContact O-CG 3.28Å; Q787-N791 PolarHBondContact O-N 3.35Å; Q787-N791 PolarHBondContact O-OD1 3.09Å; Q788-N791 PolarHBondContact O-N 2.84Å; N791-C794 WeakPolarHBondContact O-CB 3.12Å; N791-C794 PolarHBondContact O-N 3.06Å; N791-F795 WeakPolarHBondContact O-CB 3.36Å; N791-F795 PolarHBondContact O-N 3.11Å
792	S	66.7	Low	63.5	Low	14 Å²	14	47 Å²	47	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-41.4	175	178.5	0	0	0	0	113.4	D662 Q788 V790 F795 H796	D662-S792 VanDerWaalsContact CG-OG 3.25Å; D662-S792 PolarHBondContact OD1-OG 3.5Å; D662-S792 VanDerWaalsContact OD2-CB 3.28Å; D662-S792 WeakPolarHBondContact OD2-CB 3.36Å; D662-S792 PolarHBondContact OD2-OG 3.33Å; Q788-S792 PolarHBondContact O-N 3.11Å; V790-S792 VanDerWaalsContact C-N 3.26Å; V790-S792 PolarHBondContact O-N 3.37Å; S792-F795 WeakPolarHBondContact O-CB 3.29Å; S792-F795 PolarHBondContact O-N 2.73Å; S792-H796 PolarHBondContact O-N 3.46Å; S792-H796 PolarHBondContact O-ND1 2.92Å; S792-H796 PolarHBondContact OG-CE1 2.77Å; S792-H796 PolarHBondContact OG-ND1 2.96Å
793	I	68.9	Low	63.2	Low	11 Å²	11	48 Å²	48	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-45	175.5	-67.6	166.6	0	0	0	110	L775 F777 T789 V790 F795 H796 L797 L811	L775-I793 HydrophobicContact CD2-CG2 4.34Å; F777-I793 HydrophobicContact CB-CD1 4.24Å; F777-I793 HydrophobicContact CD1-CD1 4.34Å; F777-I793 HydrophobicContact CG-CD1 4.24Å; T789-I793 WeakPolarHBondContact O-CG1 3.48Å; T789-I793 PolarHBondContact O-N 3.09Å; T789-I793 VanDerWaalsContact O-N 3.16Å; V790-I793 PolarHBondContact O-N 3.4Å; I793-F795 VanDerWaalsContact C-N 3.29Å; I793-F795 PolarHBondContact O-N 3.49Å; I793-H796 PolarHBondContact O-N 3.27Å; I793-L797 HydrophobicContact CG2-CD1 3.95Å; I793-L797 HydrophobicContact CG2-CG 4.46Å; I793-L797 VanDerWaalsContact O-CG 3.24Å; I793-L797 WeakPolarHBondContact O-CG 3.37Å; I793-L797 PolarHBondContact O-N 2.92Å; I793-L797 VanDerWaalsContact O-N 3.1Å; I793-L811 HydrophobicContact CG2-CD2 4.28Å
794	C	64	Low	63.2	Low	20 Å²	20	45.5 Å²	45.5	14%	0.135	22%	0.222	C	C	.	.	H	α-helix	trans	-53.6	-48.1	173.5	-52.4	0	0	0	0	111.5	V790 N791 L797 L798 L886	V790-C794 PolarHBondContact O-N 2.83Å; V790-C794 PolarHBondContact O-SG 2.97Å; N791-C794 WeakPolarHBondContact O-CB 3.12Å; N791-C794 PolarHBondContact O-N 3.06Å; C794-L797 PolarHBondContact O-N 3.4Å; C794-L798 WeakPolarHBondContact O-CB 3.49Å; C794-L798 WeakPolarHBondContact O-CG 3.2Å; C794-L798 PolarHBondContact O-N 3.47Å; C794-L886 HydrophobicContact CB-CD1 4.4Å; C794-L886 WeakPolarHBondContact SG-CD1 3.23Å
795	F	65.9	Low	63	Low	30 Å²	30	40.7 Å²	40.7	13%	0.132	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-47.3	-175.1	-178.4	-102	0	0	0	112.9	P740 L742 N791 S792 I793 L798 K799	P740-F795 WeakPolarHBondContact O-CE1 3.16Å; P740-F795 WeakPolarHBondContact O-CZ 3.21Å; L742-F795 HydrophobicContact CB-CE2 3.82Å; L742-F795 HydrophobicContact CB-CZ 4.42Å; L742-F795 HydrophobicContact CD1-CE2 3.92Å; L742-F795 HydrophobicContact CG-CE2 3.74Å; L742-F795 HydrophobicContact CG-CZ 4.33Å; N791-F795 WeakPolarHBondContact O-CB 3.36Å; N791-F795 PolarHBondContact O-N 3.11Å; S792-F795 WeakPolarHBondContact O-CB 3.29Å; S792-F795 PolarHBondContact O-N 2.73Å; I793-F795 VanDerWaalsContact C-N 3.29Å; I793-F795 PolarHBondContact O-N 3.49Å; F795-L798 PolarHBondContact O-N 2.85Å; F795-K799 HydrophobicContact CE1-CD 3.85Å; F795-K799 HydrophobicContact CE2-CD 4.42Å; F795-K799 HydrophobicContact CZ-CD 3.73Å; F795-K799 HydrophobicContact CZ-CG 4.45Å; F795-K799 PolarHBondContact O-N 2.91Å; F795-K799 VanDerWaalsContact O-N 3.08Å
796	H	68.2	Low	62.6	Low	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-40	177.5	-73.4	98	0	0	0	111.9	I660 D662 L775 S792 I793 L800	I660-H796 HydrophobicContact CG2-CB 4.42Å; I660-H796 WeakPolarHBondContact CG2-CD2 3.46Å; D662-H796 IonicContact OD1-CE1 3.75Å; L775-H796 HydrophobicContact CD1-CB 3.69Å; L775-H796 HydrophobicContact CD2-CB 3.97Å; S792-H796 PolarHBondContact O-N 3.46Å; S792-H796 PolarHBondContact O-ND1 2.92Å; S792-H796 PolarHBondContact OG-CE1 2.77Å; S792-H796 PolarHBondContact OG-ND1 2.96Å; I793-H796 PolarHBondContact O-N 3.27Å; H796-L800 WeakPolarHBondContact O-CG 3.47Å; H796-L800 PolarHBondContact O-N 3.37Å; H796-L800 VanDerWaalsContact O-N 3.1Å
797	L	68.6	Low	62.9	Low	21 Å²	21	36 Å²	36	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-44.3	174.4	-67.3	174.4	0	0	0	112	L775 I793 C794 K799 L800 R801 I809 I883 I907 V909	L775-L797 HydrophobicContact CD2-CD2 4.19Å; L775-L797 HydrophobicContact CD2-CG 4.26Å; I793-L797 HydrophobicContact CG2-CD1 3.95Å; I793-L797 HydrophobicContact CG2-CG 4.46Å; I793-L797 VanDerWaalsContact O-CG 3.24Å; I793-L797 WeakPolarHBondContact O-CG 3.37Å; I793-L797 PolarHBondContact O-N 2.92Å; I793-L797 VanDerWaalsContact O-N 3.1Å; C794-L797 PolarHBondContact O-N 3.4Å; L797-K799 PolarHBondContact O-N 2.64Å; L797-L800 PolarHBondContact O-N 3.14Å; L797-R801 PolarHBondContact O-N 3.09Å; L797-I809 HydrophobicContact CD2-CD1 3.54Å; L797-I883 HydrophobicContact CD1-CD1 4.49Å; L797-I883 HydrophobicContact CD1-CG1 4.41Å; L797-I907 WeakPolarHBondContact O-CD1 3.49Å; L797-V909 HydrophobicContact CD2-CG2 3.9Å
798	L	61.9	Low	63.3	Low	64 Å²	64	33.5 Å²	33.5	34%	0.335	18%	0.18	S	C	.	.	H	α-helix	trans	-60.6	-45.5	177.9	-78.6	167.1	0	0	0	112.2	C794 F795 R801 I802 T890	C794-L798 WeakPolarHBondContact O-CB 3.49Å; C794-L798 WeakPolarHBondContact O-CG 3.2Å; C794-L798 PolarHBondContact O-N 3.47Å; F795-L798 PolarHBondContact O-N 2.85Å; L798-R801 WeakPolarHBondContact O-CB 3.48Å; L798-R801 PolarHBondContact O-N 2.93Å; L798-I802 WeakPolarHBondContact O-CG1 3.3Å; L798-I802 PolarHBondContact O-N 3.45Å; L798-T890 HydrophobicContact CD2-CG2 4.06Å
799	K	63.6	Low	63.6	Low	25 Å²	25	27.6 Å²	27.6	11%	0.109	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-39.9	177	-79	-169.7	168	-175.5	0	112.6	L739 P740 F795 L797 R801 I802 Y803	L739-K799 HydrophobicContact CB-CD 4.11Å; L739-K799 HydrophobicContact CD1-CB 3.74Å; L739-K799 HydrophobicContact CD1-CD 4.32Å; P740-K799 PolarHBondContact O-NZ 3.42Å; F795-K799 HydrophobicContact CE1-CD 3.85Å; F795-K799 HydrophobicContact CE2-CD 4.42Å; F795-K799 HydrophobicContact CZ-CD 3.73Å; F795-K799 HydrophobicContact CZ-CG 4.45Å; F795-K799 PolarHBondContact O-N 2.91Å; F795-K799 VanDerWaalsContact O-N 3.08Å; L797-K799 PolarHBondContact O-N 2.64Å; K799-R801 VanDerWaalsContact C-N 3.26Å; K799-R801 PolarHBondContact O-N 2.69Å; K799-I802 PolarHBondContact O-N 3.22Å; K799-Y803 HydrophobicContact CB-CD2 4.33Å; K799-Y803 HydrophobicContact CB-CE2 4.28Å; K799-Y803 HydrophobicContact CG-CE2 4.35Å; K799-Y803 WeakPolarHBondContact O-CD2 3.39Å; K799-Y803 PolarHBondContact O-N 3.49Å
800	L	65.9	Low	64.3	Low	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-32	174.2	-72.1	168.6	0	0	0	112.2	I660 L767 Y773 H796 L797 I802 A804 I809 I907	I660-L800 HydrophobicContact CD1-CD1 4.01Å; I660-L800 HydrophobicContact CD1-CD2 3.92Å; I660-L800 HydrophobicContact CD1-CG 4.37Å; L767-L800 HydrophobicContact CD1-CD2 4.44Å; Y773-L800 HydrophobicContact CD1-CD1 4.24Å; Y773-L800 HydrophobicContact CD1-CD2 3.56Å; Y773-L800 HydrophobicContact CE1-CD2 3.43Å; Y773-L800 VanDerWaalsContact CE1-CD2 3.43Å; Y773-L800 HydrophobicContact CG-CD2 4.28Å; H796-L800 WeakPolarHBondContact O-CG 3.47Å; H796-L800 PolarHBondContact O-N 3.37Å; H796-L800 VanDerWaalsContact O-N 3.1Å; L797-L800 PolarHBondContact O-N 3.14Å; L800-I802 VanDerWaalsContact C-N 3.32Å; L800-I802 PolarHBondContact O-N 2.89Å; L800-A804 CarbonylContact O-C 3.37Å; L800-A804 WeakPolarHBondContact O-CA 3.3Å; L800-A804 PolarHBondContact O-N 3.06Å; L800-I809 HydrophobicContact CB-CD1 4.26Å; L800-I809 HydrophobicContact CD1-CD1 3.45Å; L800-I809 VanDerWaalsContact CD1-CD1 3.45Å; L800-I809 HydrophobicContact CD1-CG1 4.34Å; L800-I809 HydrophobicContact CG-CD1 4.48Å; L800-I907 HydrophobicContact CB-CD1 4.07Å
801	R	60.8	Low	64.8	Low	57 Å²	57	26.5 Å²	26.5	22%	0.215	15%	0.146	C	C	.	.	H	α-helix	trans	-69.2	-30.3	176.9	-162.4	175.1	-179.7	-141.7	-1.9	112.7	L797 L798 K799 E902 N905 I907	L797-R801 PolarHBondContact O-N 3.09Å; L798-R801 WeakPolarHBondContact O-CB 3.48Å; L798-R801 PolarHBondContact O-N 2.93Å; K799-R801 VanDerWaalsContact C-N 3.26Å; K799-R801 PolarHBondContact O-N 2.69Å; R801-E902 IonicContact CZ-OE1 2.71Å; R801-E902 IonicContact NH1-OE1 3.23Å; R801-E902 PolarHBondContact NH1-OE1 3.48Å; R801-E902 IonicContact NH2-OE1 3.11Å; R801-E902 PolarHBondContact NH2-OE1 2.97Å; R801-N905 PolarHBondContact NE-O 3.48Å; R801-I907 HydrophobicContact CB-CD1 3.77Å; R801-I907 HydrophobicContact CB-CG1 4.3Å; R801-I907 HydrophobicContact CG-CD1 4.4Å; R801-I907 HydrophobicContact CG-CG1 4.47Å
802	I	57	Low	65.7	Low	66 Å²	66	23.2 Å²	23.2	34%	0.338	13%	0.128	S	C	.	.	H	α-helix	trans	-78.3	-47.4	177	-66.4	163.7	0	0	0	111.1	L798 K799 L800	L798-I802 WeakPolarHBondContact O-CG1 3.3Å; L798-I802 PolarHBondContact O-N 3.45Å; K799-I802 PolarHBondContact O-N 3.22Å; L800-I802 VanDerWaalsContact C-N 3.32Å; L800-I802 PolarHBondContact O-N 2.89Å
803	Y	59.2	Low	66	Low	27 Å²	27	22.5 Å²	22.5	11%	0.106	12%	0.123	C	C	.	.	H	α-helix	trans	-93	-25.1	-171.9	-59.7	-60.9	0	0	0	114.8	L763 P764 L767 K799	L763-Y803 HydrophobicContact CB-CD1 4.04Å; L763-Y803 HydrophobicContact CB-CD2 4.15Å; L763-Y803 HydrophobicContact CB-CE1 4.13Å; L763-Y803 HydrophobicContact CB-CE2 4.24Å; L763-Y803 HydrophobicContact CB-CG 4.07Å; L763-Y803 HydrophobicContact CD1-CD2 4.24Å; L763-Y803 HydrophobicContact CD1-CE2 3.73Å; P764-Y803 HydrophobicContact CG-CD1 4.01Å; P764-Y803 HydrophobicContact CG-CE1 4.15Å; L767-Y803 HydrophobicContact CD1-CD2 4.21Å; L767-Y803 HydrophobicContact CD1-CG 4.22Å; K799-Y803 HydrophobicContact CB-CD2 4.33Å; K799-Y803 HydrophobicContact CB-CE2 4.28Å; K799-Y803 HydrophobicContact CG-CE2 4.35Å; K799-Y803 WeakPolarHBondContact O-CD2 3.39Å; K799-Y803 PolarHBondContact O-N 3.49Å
804	A	60.8	Low	66.3	Low	2 Å²	2	22 Å²	22	2%	0.017	12%	0.121	C	C	.	.	S	Bend	trans	-143.5	64	-178.5	0	0	0	0	0	111.8	L767 Y773 L800 S807	L767-A804 HydrophobicContact CB-CB 4.2Å; Y773-A804 HydrophobicContact CE2-CB 4.38Å; L800-A804 CarbonylContact O-C 3.37Å; L800-A804 WeakPolarHBondContact O-CA 3.3Å; L800-A804 PolarHBondContact O-N 3.06Å; A804-S807 VanDerWaalsContact CB-OG 3.29Å; A804-S807 WeakPolarHBondContact CB-OG 3.33Å; A804-S807 VanDerWaalsContact O-CB 3.29Å; A804-S807 WeakPolarHBondContact O-CB 3.2Å; A804-S807 PolarHBondContact O-N 3.32Å; A804-S807 PolarHBondContact O-OG 3.35Å
805	P	56.7	Low	66.5	Low	52 Å²	52	23.2 Å²	23.2	34%	0.338	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	145.5	177.8	25.5	-35	0	0	0	112	S769 S807	S769-P805 VanDerWaalsContact CB-O 3.31Å; S769-P805 WeakPolarHBondContact CB-O 3.49Å; P805-S807 VanDerWaalsContact C-N 3.29Å; P805-S807 PolarHBondContact O-N 3.19Å
806	G	57.9	Low	66.4	Low	38 Å²	38	22.6 Å²	22.6	39%	0.392	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-7.7	-176.6	0	0	0	0	0	115.6
807	S	64.7	Low	65.8	Low	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.			trans	-58.7	150.3	-177.6	-64.8	0	0	0	0	114.8	Y773 A804 P805 T908	Y773-S807 WeakPolarHBondContact CE2-OG 3.29Å; A804-S807 VanDerWaalsContact CB-OG 3.29Å; A804-S807 WeakPolarHBondContact CB-OG 3.33Å; A804-S807 VanDerWaalsContact O-CB 3.29Å; A804-S807 WeakPolarHBondContact O-CB 3.2Å; A804-S807 PolarHBondContact O-N 3.32Å; A804-S807 PolarHBondContact O-OG 3.35Å; P805-S807 VanDerWaalsContact C-N 3.29Å; P805-S807 PolarHBondContact O-N 3.19Å; S807-T908 PolarHBondContact O-N 2.89Å
808	I	65.7	Low	64.8	Low	54 Å²	54	31.8 Å²	31.8	28%	0.277	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128	174.1	-55.8	174.3	0	0	0	109.5	F772 Y773 T908 L910 T963	F772-I808 HydrophobicContact CD2-CG2 4.41Å; F772-I808 HydrophobicContact CE2-CG2 4.11Å; Y773-I808 PolarHBondContact N-O 2.96Å; I808-T908 WeakPolarHBondContact CA-O 3.21Å; I808-L910 HydrophobicContact CG2-CD1 4.13Å; I808-L910 HydrophobicContact CG2-CD2 4.01Å; I808-L910 HydrophobicContact CG2-CG 4.07Å; I808-T963 HydrophobicContact CD1-CG2 3.98Å
809	I	70.8	Confident	64.1	Low	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.7	-178.1	-56.6	-176.4	0	0	0	111.5	Y773 L775 L797 L800 I907 T908 L910	Y773-I809 WeakPolarHBondContact O-CA 3.23Å; L775-I809 HydrophobicContact CB-CG2 3.94Å; L797-I809 HydrophobicContact CD2-CD1 3.54Å; L800-I809 HydrophobicContact CB-CD1 4.26Å; L800-I809 HydrophobicContact CD1-CD1 3.45Å; L800-I809 VanDerWaalsContact CD1-CD1 3.45Å; L800-I809 HydrophobicContact CD1-CG1 4.34Å; L800-I809 HydrophobicContact CG-CD1 4.48Å; I809-I907 HydrophobicContact CB-CG2 4.33Å; I809-I907 HydrophobicContact CD1-CD1 4.1Å; I809-I907 HydrophobicContact CD1-CG2 3.42Å; I809-I907 VanDerWaalsContact CD1-CG2 3.42Å; I809-I907 HydrophobicContact CG1-CG2 3.71Å; I809-T908 PolarHBondContact N-O 2.79Å; I809-L910 WeakPolarHBondContact O-CG 3.13Å; I809-L910 PolarHBondContact O-N 3.4Å
810	K	76.8	Confident	63.1	Low	4 Å²	4	33.4 Å²	33.4	2%	0.017	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.3	165	-176.8	69.5	-177.5	-170.5	0	109.9	F772 Y773 L775 L910 N912 S914 E955	F772-K810 HydrophobicContact CE1-CB 4.48Å; F772-K810 HydrophobicContact CZ-CB 3.97Å; Y773-K810 PolarHBondContact O-N 3.09Å; L775-K810 PolarHBondContact N-O 3.17Å; K810-L910 HydrophobicContact CB-CD1 4.03Å; K810-L910 HydrophobicContact CD-CD1 3.93Å; K810-N912 PolarHBondContact NZ-O 3.03Å; K810-S914 WeakPolarHBondContact CE-OG 3.28Å; K810-S914 PolarHBondContact NZ-OG 3.33Å; K810-E955 WeakPolarHBondContact CE-OE2 3.44Å; K810-E955 VanDerWaalsContact NZ-CD 3.33Å; K810-E955 IonicContact NZ-OE1 2.8Å; K810-E955 PolarHBondContact NZ-OE1 3.14Å; K810-E955 VanDerWaalsContact NZ-OE1 3.11Å; K810-E955 IonicContact NZ-OE2 2.66Å; K810-E955 PolarHBondContact NZ-OE2 3.37Å
811	L	75.6	Confident	61.9	Low	2 Å²	2	35 Å²	35	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.2	166.5	-75.4	167.1	0	0	0	109.8	L775 I793 I883 V909 I913 S914	L775-L811 HydrophobicContact CB-CD2 4.18Å; L775-L811 HydrophobicContact CD2-CD2 3.88Å; L775-L811 HydrophobicContact CG-CD2 4.04Å; I793-L811 HydrophobicContact CG2-CD2 4.28Å; L811-I883 HydrophobicContact CD1-CD1 3.66Å; L811-V909 HydrophobicContact CD1-CG1 3.68Å; L811-V909 HydrophobicContact CG-CG1 4.15Å; L811-I913 HydrophobicContact CB-CG1 4.21Å; L811-I913 HydrophobicContact CB-CG2 4.48Å; L811-I913 HydrophobicContact CD1-CG1 4.19Å; L811-S914 PolarHBondContact O-N 3.02Å
812	L	78.8	Confident	60.7	Low	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	116.4	-177.7	-155.1	81.7	0	0	0	111.4	L670 I774 L775 L776 F777 S914 V916 I947 L952	L670-L812 HydrophobicContact CD2-CD2 3.98Å; I774-L812 HydrophobicContact CG2-CB 4.33Å; I774-L812 HydrophobicContact CG2-CD2 4.49Å; L775-L812 PolarHBondContact O-N 3.44Å; L776-L812 WeakPolarHBondContact CA-O 3.35Å; L776-L812 HydrophobicContact CD2-CB 3.82Å; L776-L812 HydrophobicContact CD2-CD2 3.61Å; L776-L812 HydrophobicContact CD2-CG 4.19Å; F777-L812 WeakPolarHBondContact CD1-O 3.39Å; F777-L812 PolarHBondContact N-O 2.78Å; F777-L812 VanDerWaalsContact N-O 3.12Å; L812-S914 WeakPolarHBondContact CA-O 3.13Å; L812-V916 HydrophobicContact CD1-CG2 3.93Å; L812-V916 HydrophobicContact CD2-CB 4.45Å; L812-V916 HydrophobicContact CD2-CG2 3.81Å; L812-V916 HydrophobicContact CG-CG2 3.96Å; L812-I947 HydrophobicContact CD1-CD1 4.37Å; L812-L952 HydrophobicContact CD1-CD1 4.13Å; L812-L952 HydrophobicContact CD2-CD2 4.2Å
813	G	74.4	Confident	59.7	Low	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.4	175.9	0	0	0	0	0	111.3	F777 S914 F915 V916	F777-G813 VanDerWaalsContact CZ-CA 3.46Å; G813-S914 PolarHBondContact N-O 3.36Å; G813-F915 WeakPolarHBondContact O-CA 3.05Å; G813-V916 PolarHBondContact O-N 3.46Å
814	T	75.1	Confident	58.5	Low	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	168.7	-180	62.3	0	0	0	0	112.3	S665 L776 F777 T779 C816 L918	S665-T814 VanDerWaalsContact O-CG2 3.32Å; S665-T814 WeakPolarHBondContact O-CG2 3.24Å; S665-T814 PolarHBondContact O-OG1 3.44Å; L776-T814 HydrophobicContact CD2-CG2 3.51Å; F777-T814 PolarHBondContact O-N 2.91Å; F777-T814 PolarHBondContact O-OG1 2.95Å; T779-T814 VanDerWaalsContact CB-O 3.27Å; T779-T814 WeakPolarHBondContact CB-O 3.47Å; T779-T814 PolarHBondContact N-O 3.46Å; T779-T814 PolarHBondContact OG1-O 3.35Å; T814-C816 PolarHBondContact O-N 3.29Å; T814-L918 HydrophobicContact CG2-CD1 3.83Å
815	H	68.1	Low	57.4	Low	46 Å²	46	50.9 Å²	50.9	21%	0.213	26%	0.261	C	S	.	.			trans	58.6	38.9	172.9	-62.7	-72.1	0	0	0	115.1	N780 D817	N780-H815 PolarHBondContact ND2-O 2.97Å; N780-H815 VanDerWaalsContact ND2-O 3.09Å; N780-H815 PolarHBondContact OD1-O 3.4Å; N780-H815 VanDerWaalsContact OD1-O 3.06Å; H815-D817 PolarHBondContact O-N 3.39Å
816	C	63.5	Low	56.3	Low	16 Å²	16	53.9 Å²	53.9	11%	0.108	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	12.2	-177.9	-56	0	0	0	0	115	T779 T814	T779-C816 PolarHBondContact OG1-SG 2.69Å; T814-C816 PolarHBondContact O-N 3.29Å
817	D	55	Low	55.2	Low	55 Å²	55	58.6 Å²	58.6	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-7.3	-149.9	-45.7	-32.1	0	0	0	112.5	H815 N917 S919	H815-D817 PolarHBondContact O-N 3.39Å; D817-N917 PolarHBondContact OD1-ND2 3.1Å; D817-N917 PolarHBondContact OD1-OD1 3.31Å; D817-S919 VanDerWaalsContact OD2-CA 3.29Å; D817-S919 WeakPolarHBondContact OD2-CA 3.46Å; D817-S919 PolarHBondContact OD2-N 3.07Å; D817-S919 PolarHBondContact OD2-OG 3.22Å
818	Q	48.4	Very low	53.7	Low	159 Å²	159	64.4 Å²	64.4	74%	0.743	32%	0.317	S	S	*	.	S	Bend	trans	-114.5	7.7	-177.2	-57.6	-178.7	-64.2	0	0	113.2	N780 D820	N780-Q818 PolarHBondContact ND2-OE1 2.89Å; Q818-D820 PolarHBondContact O-N 2.81Å
819	I	48	Very low	52.2	Low	27 Å²	27	65 Å²	65	14%	0.138	33%	0.326	C	S	.	.			trans	-78.1	95.1	-174	-56.5	167.8	0	0	0	110	T779 N780 I783 P821 F872	T779-I819 HydrophobicContact CG2-CD1 3.83Å; N780-I819 WeakPolarHBondContact OD1-CG1 3.36Å; I783-I819 HydrophobicContact CD1-CD1 3.73Å; I783-I819 HydrophobicContact CD1-CG1 3.82Å; I783-I819 HydrophobicContact CD1-CG2 4.07Å; I819-P821 HydrophobicContact CG2-CG 4.46Å; I819-P821 WeakPolarHBondContact O-CD 3.46Å; I819-F872 HydrophobicContact CD1-CE1 4.35Å; I819-F872 HydrophobicContact CD1-CE2 4.41Å; I819-F872 HydrophobicContact CD1-CZ 3.63Å
820	D	41.1	Very low	50.5	Low	96 Å²	96	70.3 Å²	70.3	51%	0.513	35%	0.353	S	S	.	.			trans	-90.2	101.7	164.1	-176.6	8.2	0	0	0	109.6	Q818 Y822	Q818-D820 PolarHBondContact O-N 2.81Å; D820-Y822 PolarHBondContact O-N 3.19Å; D820-Y822 VanDerWaalsContact O-N 3.07Å
821	P	42.1	Very low	48.3	Very low	34 Å²	34	75.5 Å²	75.5	22%	0.221	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.9	-167.1	-15.1	29.9	0	0	0	115.5	I819 K868	I819-P821 HydrophobicContact CG2-CG 4.46Å; I819-P821 WeakPolarHBondContact O-CD 3.46Å; P821-K868 HydrophobicContact CG-CG 3.95Å
822	Y	35.1	Very low	46.2	Very low	133 Å²	133	78.1 Å²	78.1	52%	0.522	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	5.5	-163.1	-78.1	-80.6	0	0	0	115.6	D820	D820-Y822 PolarHBondContact O-N 3.19Å; D820-Y822 VanDerWaalsContact O-N 3.07Å
823	K	35.2	Very low	43.8	Very low	161 Å²	161	83.1 Å²	83.1	70%	0.7	43%	0.429	S	S	*	.	S	Bend	trans	-130.7	-6.2	-168.3	-110.2	179.1	-180	176.2	0	119.2
824	S	35.4	Very low	41.7	Very low	62 Å²	62	91.8 Å²	91.8	43%	0.434	47%	0.47	S	S	.	.	S	Bend	trans	-127.1	-51.5	175.7	51.6	0	0	0	0	111.7	L826 Q827	S824-L826 PolarHBondContact O-N 3.35Å; S824-Q827 PolarHBondContact O-N 2.91Å
825	F	36.9	Very low	39.6	Very low	130 Å²	130	98.9 Å²	98.9	57%	0.57	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-8.7	-171.9	-147.6	-92.2	0	0	0	116.4	S829	F825-S829 PolarHBondContact O-OG 3.26Å
826	L	34.5	Very low	37.8	Very low	115 Å²	115	100.6 Å²	100.6	60%	0.602	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-4.5	178.4	-83.6	169.4	0	0	0	114.2	S824 I830	S824-L826 PolarHBondContact O-N 3.35Å; L826-I830 VanDerWaalsContact O-CD1 3.26Å; L826-I830 WeakPolarHBondContact O-CD1 3.33Å
827	Q	33.9	Very low	36.1	Very low	136 Å²	136	107.2 Å²	107.2	64%	0.636	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-36.3	-169.7	-154.9	147.5	4.4	0	0	112.4	S824	S824-Q827 PolarHBondContact O-N 2.91Å
828	D	33.8	Very low	34.8	Very low	122 Å²	122	113.8 Å²	113.8	65%	0.652	58%	0.58	S	S	*	*	S	Bend	trans	-85.1	-25	173	-57.1	-51.2	0	0	0	112.4	I830 N831	D828-I830 PolarHBondContact O-N 3.14Å; D828-I830 VanDerWaalsContact O-N 3.12Å; D828-N831 PolarHBondContact O-N 3.31Å
829	S	34.9	Very low	34	Very low	67 Å²	67	114.9 Å²	114.9	47%	0.469	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69	-5.2	176.9	65.5	0	0	0	0	114.6	F825	F825-S829 PolarHBondContact O-OG 3.26Å
830	I	34.5	Very low	33	Very low	111 Å²	111	118.6 Å²	118.6	57%	0.569	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-27.2	178.3	-67.4	178	0	0	0	111.2	L826 D828	L826-I830 VanDerWaalsContact O-CD1 3.26Å; L826-I830 WeakPolarHBondContact O-CD1 3.33Å; D828-I830 PolarHBondContact O-N 3.14Å; D828-I830 VanDerWaalsContact O-N 3.12Å
831	N	31.1	Very low	32.4	Very low	114 Å²	114	119.5 Å²	119.5	61%	0.61	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-8.8	-177.9	-65.1	-12.6	0	0	0	113.6	D828 N833	D828-N831 PolarHBondContact O-N 3.31Å; N831-N833 PolarHBondContact O-N 3.44Å
832	A	29.8	Very low	31.8	Very low	56 Å²	56	125.8 Å²	125.8	46%	0.463	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-69.6	-10.1	178.2	0	0	0	0	0	114.3	E834	A832-E834 VanDerWaalsContact C-N 3.27Å; A832-E834 PolarHBondContact O-N 2.99Å
833	N	29.7	Very low	31.4	Very low	105 Å²	105	127 Å²	127	56%	0.561	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-73	-13.2	-178.6	-74.9	-22.3	0	0	0	114.4	N831	N831-N833 PolarHBondContact O-N 3.44Å
834	E	29.2	Very low	30.9	Very low	182 Å²	182	127.4 Å²	127.4	85%	0.85	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-99.3	9.2	-176.6	-62.5	-172.1	144.5	0	0	114	A832	A832-E834 VanDerWaalsContact C-N 3.27Å; A832-E834 PolarHBondContact O-N 2.99Å
835	I	30.7	Very low	30.5	Very low	149 Å²	149	128.4 Å²	128.4	76%	0.764	66%	0.659	S	S	*	*	S	Bend	trans	-122.2	20.5	176.4	-40.1	-177.3	0	0	0	111.1
836	I	30.5	Very low	30.2	Very low	83 Å²	83	127 Å²	127	43%	0.426	66%	0.657	S	S	.	*	S	Bend	trans	-95.8	-13.3	-174.1	-68.5	-179.4	0	0	0	112.7	N840	I836-N840 WeakPolarHBondContact CG2-ND2 3.25Å; I836-N840 PolarHBondContact O-ND2 2.84Å
837	D	28.8	Very low	29.8	Very low	155 Å²	155	131.4 Å²	131.4	83%	0.829	67%	0.672	S	S	*	*	S	Bend	trans	-90.6	-7.2	-171.3	-77.2	-26.8	0	0	0	116.4
838	E	28	Very low	29.5	Very low	193 Å²	193	129.5 Å²	129.5	90%	0.902	67%	0.673	S	S	*	*	S	Bend	trans	-110.3	-3.4	-176.6	-69.8	-162.7	136.1	0	0	116.6
839	Q	30.2	Very low	29.1	Very low	182 Å²	182	130 Å²	130	85%	0.85	67%	0.672	S	S	*	*	S	Bend	trans	-122.4	7.2	178.6	-65.6	-165.9	-7.4	0	0	115.3	H841	Q839-H841 VanDerWaalsContact C-N 3.29Å; Q839-H841 PolarHBondContact O-N 3.27Å
840	N	27.9	Very low	28.9	Very low	104 Å²	104	131.1 Å²	131.1	56%	0.556	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	35.5	-169.9	-103.1	-41.7	0	0	0	116	I836	I836-N840 WeakPolarHBondContact CG2-ND2 3.25Å; I836-N840 PolarHBondContact O-ND2 2.84Å
841	H	29.3	Very low	28.7	Very low	116 Å²	116	129.5 Å²	129.5	54%	0.537	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.7	11.6	-176.6	-109	3.4	0	0	0	116.7	Q839 W1410	Q839-H841 VanDerWaalsContact C-N 3.29Å; Q839-H841 PolarHBondContact O-N 3.27Å; H841-W1410 HydrophobicContact CB-CZ2 4.34Å; H841-W1410 AromaticContact CD2-CZ2 3.96Å; H841-W1410 AromaticContact CD2-NE1 3.73Å; H841-W1410 AromaticContact CE1-NE1 3.33Å; H841-W1410 PolarHBondContact CE1-NE1 3.46Å; H841-W1410 VanDerWaalsContact CE1-NE1 3.33Å; H841-W1410 AromaticContact CG-CZ2 3.88Å; H841-W1410 AromaticContact ND1-NE1 3.99Å; H841-W1410 AromaticContact NE2-CE2 3.97Å; H841-W1410 AromaticContact NE2-NE1 3.12Å; H841-W1410 PolarHBondContact NE2-NE1 2.94Å; H841-W1410 VanDerWaalsContact NE2-NE1 3.12Å
842	L	28.2	Very low	28.6	Very low	166 Å²	166	130.2 Å²	130.2	87%	0.869	67%	0.672	S	S	*	*	S	Bend	trans	-125	9	179.2	-79.6	169	0	0	0	115.7
843	L	26.8	Very low	28.7	Very low	157 Å²	157	132.9 Å²	132.9	82%	0.822	68%	0.678	S	S	*	*			trans	-125.6	29.8	-168.9	-83.2	170.3	0	0	0	117
844	E	25.7	Very low	28.6	Very low	171 Å²	171	132.5 Å²	132.5	80%	0.799	68%	0.68	S	S	*	*			trans	-100.1	67.4	167.9	-77.3	-126.3	118	0	0	113.3
845	T	26.8	Very low	28.8	Very low	83 Å²	83	130.2 Å²	130.2	51%	0.509	67%	0.672	S	S	.	*	S	Bend	trans	-170.5	92.8	134.9	9.8	0	0	0	0	113.3	K1389	T845-K1389 HydrophobicContact CG2-CD 4.01Å; T845-K1389 WeakPolarHBondContact OG1-CE 3.37Å; T845-K1389 PolarHBondContact OG1-NZ 3.35Å
846	N	29.6	Very low	28.9	Very low	99 Å²	99	130.5 Å²	130.5	53%	0.529	67%	0.67	S	S	.	*				179.4	109.3	120.8	-86.1	-32.2	0	0	0	108.4	S848 T1388	N846-S848 PolarHBondContact O-N 3.09Å; N846-S848 VanDerWaalsContact O-N 3.08Å; N846-T1388 PolarHBondContact ND2-O 3.07Å
847	K	26.4	Very low	28.8	Very low	208 Å²	208	133 Å²	133	90%	0.904	68%	0.684	S	S	*	*			trans	-77.1	91.5	-177.8	-71.3	-179.3	176.7	177.5	0	111
848	S	27.4	Very low	28.8	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	68%	0.677	S	S	*	*			trans	-158.7	124.8	167.8	58.6	0	0	0	0	112.1	N846	N846-S848 PolarHBondContact O-N 3.09Å; N846-S848 VanDerWaalsContact O-N 3.08Å
849	E	26.2	Very low	28.8	Very low	133 Å²	133	132.3 Å²	132.3	62%	0.621	68%	0.68	S	S	*	*			trans	47	87	172.6	-67.6	-170.5	-142.6	0	0	117.1	K877	E849-K877 IonicContact OE2-NZ 2.92Å; E849-K877 PolarHBondContact OE2-NZ 3.38Å
850	N	29.9	Very low	28.7	Very low	90 Å²	90	128.4 Å²	128.4	48%	0.481	67%	0.673	S	S	.	*			trans	-105.2	96	149.8	-172.1	-5.1	0	0	0	109	L852 I853 T854	N850-L852 PolarHBondContact O-N 3.06Å; N850-L852 VanDerWaalsContact O-N 3.11Å; N850-I853 WeakPolarHBondContact ND2-CD1 3.42Å; N850-I853 PolarHBondContact O-N 2.71Å; N850-T854 PolarHBondContact O-OG1 3.11Å
851	P	30	Very low	28.6	Very low	77 Å²	77	128.7 Å²	128.7	50%	0.5	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-17.9	-166.1	-24.2	35.3	0	0	0	115.7	I855	P851-I855 WeakPolarHBondContact O-CD1 3.38Å
852	L	28.8	Very low	28.6	Very low	129 Å²	129	130.2 Å²	130.2	68%	0.675	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-29.6	-174.7	-69.9	164.5	0	0	0	113	N850	N850-L852 PolarHBondContact O-N 3.06Å; N850-L852 VanDerWaalsContact O-N 3.11Å
853	I	32.1	Very low	28.8	Very low	112 Å²	112	128.5 Å²	128.5	57%	0.574	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-80	-26.2	-178.1	-59.6	178.8	0	0	0	111.3	N850 I855	N850-I853 WeakPolarHBondContact ND2-CD1 3.42Å; N850-I853 PolarHBondContact O-N 2.71Å; I853-I855 PolarHBondContact O-N 2.87Å
854	T	29.1	Very low	29.1	Very low	98 Å²	98	128.2 Å²	128.2	60%	0.601	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-76.6	2	-177.6	-30.8	0	0	0	0	114.1	N850	N850-T854 PolarHBondContact O-OG1 3.11Å
855	I	33.3	Very low	29.2	Very low	133 Å²	133	130.9 Å²	130.9	68%	0.682	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-95.1	-15.2	-174	-64.8	173.1	0	0	0	112.7	P851 I853	P851-I855 WeakPolarHBondContact O-CD1 3.38Å; I853-I855 PolarHBondContact O-N 2.87Å
856	Q	31.1	Very low	29.4	Very low	156 Å²	156	130.4 Å²	130.4	73%	0.729	68%	0.679	S	S	*	*	S	Bend	trans	-100.8	-17.4	-172.8	-70	-176.2	-18.6	0	0	115.8
857	N	28.6	Very low	29.6	Very low	136 Å²	136	130.5 Å²	130.5	73%	0.727	68%	0.683	S	S	*	*	S	Bend	trans	-116.9	24.6	-166.1	-71.8	-16.6	0	0	0	115.8
858	N	29.4	Very low	30	Very low	128 Å²	128	127.2 Å²	127.2	68%	0.684	67%	0.669	S	S	*	*			trans	-126	94.1	173.4	-87	-31.6	0	0	0	111.2	S860	N858-S860 VanDerWaalsContact C-N 3.31Å; N858-S860 PolarHBondContact O-N 2.95Å
859	E	27.2	Very low	30.6	Very low	205 Å²	205	124.1 Å²	124.1	96%	0.958	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	66.9	-178.8	-60.8	-173.1	123.5	0	0	112.9
860	S	27.8	Very low	31.1	Very low	100 Å²	100	119.6 Å²	119.6	70%	0.699	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.2	-22.1	177.6	55.5	0	0	0	0	117.8	N858	N858-S860 VanDerWaalsContact C-N 3.31Å; N858-S860 PolarHBondContact O-N 2.95Å
861	D	27.8	Very low	31.8	Very low	110 Å²	110	117.5 Å²	117.5	59%	0.588	63%	0.626	S	S	*	*			trans	-122.4	92.5	-171.6	-123.4	-43.2	0	0	0	114.2	N863	D861-N863 PolarHBondContact O-N 2.88Å; D861-N863 VanDerWaalsContact O-N 3.09Å
862	N	28.3	Very low	32.8	Very low	148 Å²	148	115.4 Å²	115.4	79%	0.791	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	4.2	-175.7	-88.8	-57.1	0	0	0	115.4
863	N	32.2	Very low	33.8	Very low	129 Å²	129	111.6 Å²	111.6	69%	0.69	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-6.4	-164.8	-68.4	-52.4	0	0	0	116.2	D861 R865	D861-N863 PolarHBondContact O-N 2.88Å; D861-N863 VanDerWaalsContact O-N 3.09Å; N863-R865 VanDerWaalsContact C-N 3.34Å; N863-R865 PolarHBondContact O-N 3.1Å
864	I	32.9	Very low	34.7	Very low	151 Å²	151	110.7 Å²	110.7	77%	0.774	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	1.2	-172	-52.7	-177.9	0	0	0	112.8	S866	I864-S866 VanDerWaalsContact C-N 3.3Å; I864-S866 PolarHBondContact O-N 3.36Å
865	R	28	Very low	35.9	Very low	227 Å²	227	106.9 Å²	106.9	86%	0.857	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	8.7	-177.8	-79.4	-174.8	170.5	174.9	-1.1	116.1	N863	N863-R865 VanDerWaalsContact C-N 3.34Å; N863-R865 PolarHBondContact O-N 3.1Å
866	S	30.8	Very low	36.9	Very low	74 Å²	74	102.9 Å²	102.9	52%	0.517	54%	0.544	S	S	.	.			trans	-157	109.5	-178.7	57.6	0	0	0	0	115.1	I864	I864-S866 VanDerWaalsContact C-N 3.3Å; I864-S866 PolarHBondContact O-N 3.36Å
867	T	34.3	Very low	38.2	Very low	100 Å²	100	100.3 Å²	100.3	61%	0.613	53%	0.53	S	S	*	.			trans	179.2	152.5	147.9	18.5	0	0	0	0	111.5	S869	T867-S869 VanDerWaalsContact C-N 3.31Å; T867-S869 PolarHBondContact O-N 2.9Å
868	K	34.5	Very low	39.6	Very low	139 Å²	139	97.9 Å²	97.9	60%	0.604	51%	0.514	S	S	*	.	S	Bend	trans	-66.9	-24.4	177	-90.6	-169.7	170.4	-163.3	0	114.3	P821	P821-K868 HydrophobicContact CG-CG 3.95Å
869	S	40.3	Very low	40.9	Very low	31 Å²	31	92.1 Å²	92.1	22%	0.217	48%	0.483	C	S	.	.	H	α-helix	trans	-77.5	-28.3	-173.5	47.6	0	0	0	0	114.5	T867 V871 F872 N873	T867-S869 VanDerWaalsContact C-N 3.31Å; T867-S869 PolarHBondContact O-N 2.9Å; S869-V871 VanDerWaalsContact C-N 3.34Å; S869-V871 PolarHBondContact O-N 3.38Å; S869-F872 PolarHBondContact O-N 3.42Å; S869-N873 PolarHBondContact O-N 3.04Å; S869-N873 VanDerWaalsContact O-N 3.15Å
870	G	36.5	Very low	42.5	Very low	38 Å²	38	84.9 Å²	84.9	39%	0.392	45%	0.451	S	S	.	.	H	α-helix	trans	-58.3	-43.8	-178.4	0	0	0	0	0	113.2	N873 V874	G870-N873 PolarHBondContact O-N 3.27Å; G870-V874 WeakPolarHBondContact O-CG2 3.39Å; G870-V874 PolarHBondContact O-N 2.97Å; G870-V874 VanDerWaalsContact O-N 3.13Å
871	V	45.7	Very low	43.8	Very low	46 Å²	46	82.9 Å²	82.9	28%	0.279	43%	0.432	S	S	.	.	H	α-helix	trans	-62.7	-47.2	-179.1	-177.6	0	0	0	0	111.4	S869 N873 V874 L875	S869-V871 VanDerWaalsContact C-N 3.34Å; S869-V871 PolarHBondContact O-N 3.38Å; V871-N873 PolarHBondContact O-N 3.39Å; V871-V874 PolarHBondContact O-N 3.33Å; V871-L875 HydrophobicContact CG1-CD1 3.84Å; V871-L875 WeakPolarHBondContact O-CD1 3.16Å; V871-L875 PolarHBondContact O-N 3.1Å
872	F	49.8	Very low	45	Very low	34 Å²	34	78.8 Å²	78.8	15%	0.149	41%	0.411	C	S	.	.	H	α-helix	trans	-67.1	-36.3	-179.8	-78.6	-88.4	0	0	0	113.3	T779 I819 S869 V874 L875 Q876 F915 I944	T779-F872 HydrophobicContact CG2-CE1 4.14Å; I819-F872 HydrophobicContact CD1-CE1 4.35Å; I819-F872 HydrophobicContact CD1-CE2 4.41Å; I819-F872 HydrophobicContact CD1-CZ 3.63Å; S869-F872 PolarHBondContact O-N 3.42Å; F872-V874 VanDerWaalsContact C-N 3.33Å; F872-L875 WeakPolarHBondContact O-CB 3.42Å; F872-L875 PolarHBondContact O-N 3.49Å; F872-Q876 PolarHBondContact O-N 3.28Å; F872-F915 HydrophobicContact CD1-CD2 4.46Å; F872-F915 HydrophobicContact CD1-CE1 4.14Å; F872-F915 HydrophobicContact CD1-CE2 4.07Å; F872-F915 AromaticContact CD1-CZ 3.89Å; F872-F915 HydrophobicContact CD1-CZ 3.89Å; F872-F915 HydrophobicContact CE1-CD1 4.16Å; F872-F915 HydrophobicContact CE1-CE1 4.05Å; F872-F915 HydrophobicContact CE1-CG 4.49Å; F872-F915 HydrophobicContact CE1-CZ 4.27Å; F872-I944 HydrophobicContact CB-CD1 3.76Å; F872-I944 HydrophobicContact CB-CG1 3.77Å
873	N	50.6	Low	46.2	Very low	48 Å²	48	73.2 Å²	73.2	26%	0.257	38%	0.381	S	S	.	.	H	α-helix	trans	-64.8	-38.8	174.4	-77.1	-3.2	0	0	0	111.8	S869 G870 V871 Q876 K877	S869-N873 PolarHBondContact O-N 3.04Å; S869-N873 VanDerWaalsContact O-N 3.15Å; G870-N873 PolarHBondContact O-N 3.27Å; V871-N873 PolarHBondContact O-N 3.39Å; N873-Q876 PolarHBondContact O-N 3.2Å; N873-K877 PolarHBondContact O-N 3.5Å
874	V	51.3	Low	47.3	Very low	93 Å²	93	71.4 Å²	71.4	56%	0.564	37%	0.368	S	S	*	.	H	α-helix	trans	-66.1	-40.2	173.1	173.3	0	0	0	0	110.9	G870 V871 F872 H878	G870-V874 WeakPolarHBondContact O-CG2 3.39Å; G870-V874 PolarHBondContact O-N 2.97Å; G870-V874 VanDerWaalsContact O-N 3.13Å; V871-V874 PolarHBondContact O-N 3.33Å; F872-V874 VanDerWaalsContact C-N 3.33Å; V874-H878 VanDerWaalsContact O-CA 3.3Å; V874-H878 WeakPolarHBondContact O-CA 3.38Å; V874-H878 PolarHBondContact O-N 3.27Å
875	L	52.5	Low	48.1	Very low	19 Å²	19	71.6 Å²	71.6	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-48.7	170.6	-97.1	82.8	0	0	0	112	F782 V871 F872 H878 I879	F782-L875 HydrophobicContact CD1-CD2 3.52Å; F782-L875 HydrophobicContact CD1-CG 4.07Å; F782-L875 HydrophobicContact CE1-CD2 3.71Å; F782-L875 HydrophobicContact CE1-CG 3.78Å; F782-L875 HydrophobicContact CG-CD2 4.44Å; V871-L875 HydrophobicContact CG1-CD1 3.84Å; V871-L875 WeakPolarHBondContact O-CD1 3.16Å; V871-L875 PolarHBondContact O-N 3.1Å; F872-L875 WeakPolarHBondContact O-CB 3.42Å; F872-L875 PolarHBondContact O-N 3.49Å; L875-H878 CarbonylContact O-C 3.51Å; L875-H878 VanDerWaalsContact O-CA 3.3Å; L875-H878 WeakPolarHBondContact O-CA 3.38Å; L875-H878 PolarHBondContact O-N 3.33Å; L875-I879 WeakPolarHBondContact O-CG1 3.14Å; L875-I879 PolarHBondContact O-N 3.03Å
876	Q	55.3	Low	49	Very low	48 Å²	48	63.4 Å²	63.4	22%	0.224	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-47.9	-175.5	-175.7	176.3	-2.5	0	0	111.9	F872 N873 H878 I879 I880 I913	F872-Q876 PolarHBondContact O-N 3.28Å; N873-Q876 PolarHBondContact O-N 3.2Å; Q876-H878 PolarHBondContact O-N 2.97Å; Q876-I879 PolarHBondContact O-N 3.18Å; Q876-I880 HydrophobicContact CG-CD1 3.77Å; Q876-I880 HydrophobicContact CG-CG1 4.48Å; Q876-I880 WeakPolarHBondContact O-CB 3.29Å; Q876-I880 VanDerWaalsContact O-CG1 3.29Å; Q876-I880 WeakPolarHBondContact O-CG1 3.36Å; Q876-I880 PolarHBondContact O-N 2.86Å; Q876-I913 HydrophobicContact CG-CD1 4.36Å
877	K	58.3	Low	49.6	Very low	103 Å²	103	63.4 Å²	63.4	45%	0.448	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-37.5	171.4	-166.4	-177	-176.4	-170.5	0	110.1	E849 N873 N881	E849-K877 IonicContact OE2-NZ 2.92Å; E849-K877 PolarHBondContact OE2-NZ 3.38Å; N873-K877 PolarHBondContact O-N 3.5Å; K877-N881 WeakPolarHBondContact O-CB 3.42Å; K877-N881 PolarHBondContact O-N 2.95Å
878	H	57.9	Low	49.9	Very low	85 Å²	85	64.3 Å²	64.3	39%	0.394	33%	0.327	S	S	.	.	H	α-helix	trans	-49	-69.8	171.8	163.1	-134.2	0	0	0	111.7	F786 V874 L875 Q876 I880 N881 T882	F786-H878 AromaticContact CE1-NE2 3.87Å; F786-H878 AromaticContact CZ-CD2 3.72Å; F786-H878 AromaticContact CZ-CE1 3.99Å; F786-H878 AromaticContact CZ-NE2 3.2Å; F786-H878 WeakPolarHBondContact CZ-NE2 3.34Å; V874-H878 VanDerWaalsContact O-CA 3.3Å; V874-H878 WeakPolarHBondContact O-CA 3.38Å; V874-H878 PolarHBondContact O-N 3.27Å; L875-H878 CarbonylContact O-C 3.51Å; L875-H878 VanDerWaalsContact O-CA 3.3Å; L875-H878 WeakPolarHBondContact O-CA 3.38Å; L875-H878 PolarHBondContact O-N 3.33Å; Q876-H878 PolarHBondContact O-N 2.97Å; H878-I880 PolarHBondContact O-N 2.92Å; H878-N881 HydrophobicContact CB-CB 4.49Å; H878-N881 PolarHBondContact O-N 3.28Å; H878-T882 PolarHBondContact CD2-OG1 2.65Å; H878-T882 VanDerWaalsContact CD2-OG1 3.26Å; H878-T882 WeakPolarHBondContact O-CB 3.41Å; H878-T882 PolarHBondContact O-N 3.37Å; H878-T882 PolarHBondContact O-OG1 2.85Å
879	I	57.3	Low	49.9	Very low	6 Å²	6	60.5 Å²	60.5	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-43.9	-176.6	-64	162.2	0	0	0	111.4	F777 F782 L875 Q876 T882 I883 I913	F777-I879 HydrophobicContact CZ-CD1 4.49Å; F782-I879 HydrophobicContact CD2-CD1 4.46Å; F782-I879 HydrophobicContact CE1-CD1 4.25Å; F782-I879 HydrophobicContact CE1-CG1 4.32Å; F782-I879 HydrophobicContact CE2-CD1 3.7Å; F782-I879 HydrophobicContact CE2-CG1 3.7Å; F782-I879 HydrophobicContact CZ-CD1 3.59Å; F782-I879 HydrophobicContact CZ-CG1 3.38Å; L875-I879 WeakPolarHBondContact O-CG1 3.14Å; L875-I879 PolarHBondContact O-N 3.03Å; Q876-I879 PolarHBondContact O-N 3.18Å; I879-T882 PolarHBondContact O-N 3.02Å; I879-I883 HydrophobicContact CG2-CD1 3.71Å; I879-I883 HydrophobicContact CG2-CG1 4.35Å; I879-I883 WeakPolarHBondContact O-CG1 3.35Å; I879-I883 PolarHBondContact O-N 3.39Å; I879-I913 HydrophobicContact CB-CD1 3.81Å; I879-I913 HydrophobicContact CD1-CD1 3.83Å; I879-I913 HydrophobicContact CG1-CD1 4.43Å; I879-I913 HydrophobicContact CG2-CD1 3.63Å
880	I	60.1	Low	49.6	Very low	54 Å²	54	60 Å²	60	28%	0.277	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-48.2	179	-66.2	171.7	0	0	0	110.6	Q876 H878 T882 I883 E884 Q911	Q876-I880 HydrophobicContact CG-CD1 3.77Å; Q876-I880 HydrophobicContact CG-CG1 4.48Å; Q876-I880 WeakPolarHBondContact O-CB 3.29Å; Q876-I880 VanDerWaalsContact O-CG1 3.29Å; Q876-I880 WeakPolarHBondContact O-CG1 3.36Å; Q876-I880 PolarHBondContact O-N 2.86Å; H878-I880 PolarHBondContact O-N 2.92Å; I880-T882 PolarHBondContact O-N 3.47Å; I880-I883 PolarHBondContact O-N 3.26Å; I880-E884 WeakPolarHBondContact O-CB 3.45Å; I880-E884 PolarHBondContact O-N 3.5Å; I880-Q911 WeakPolarHBondContact CD1-O 3.41Å
881	N	55.8	Low	49.5	Very low	57 Å²	57	65.4 Å²	65.4	31%	0.305	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-35.6	175.5	-78.9	-0.3	0	0	0	112	K877 H878 R885	K877-N881 WeakPolarHBondContact O-CB 3.42Å; K877-N881 PolarHBondContact O-N 2.95Å; H878-N881 HydrophobicContact CB-CB 4.49Å; H878-N881 PolarHBondContact O-N 3.28Å; N881-R885 VanDerWaalsContact O-CB 3.29Å; N881-R885 WeakPolarHBondContact O-CB 3.38Å; N881-R885 WeakPolarHBondContact O-CG 3.44Å; N881-R885 PolarHBondContact O-N 2.98Å
882	T	52.8	Low	48.7	Very low	24 Å²	24	67.6 Å²	67.6	15%	0.147	35%	0.346	C	S	.	.	H	α-helix	trans	-70.6	-44.5	176.5	-71.8	0	0	0	0	111.6	V790 H878 I879 I880 E884 R885 L886	V790-T882 HydrophobicContact CG1-CG2 3.7Å; H878-T882 PolarHBondContact CD2-OG1 2.65Å; H878-T882 VanDerWaalsContact CD2-OG1 3.26Å; H878-T882 WeakPolarHBondContact O-CB 3.41Å; H878-T882 PolarHBondContact O-N 3.37Å; H878-T882 PolarHBondContact O-OG1 2.85Å; I879-T882 PolarHBondContact O-N 3.02Å; I880-T882 PolarHBondContact O-N 3.47Å; T882-E884 VanDerWaalsContact C-N 3.32Å; T882-E884 PolarHBondContact O-N 3.49Å; T882-R885 PolarHBondContact O-N 3.19Å; T882-L886 HydrophobicContact CG2-CD1 3.69Å; T882-L886 HydrophobicContact CG2-CG 4.36Å; T882-L886 WeakPolarHBondContact O-CB 3.44Å; T882-L886 VanDerWaalsContact O-CD1 3.27Å; T882-L886 WeakPolarHBondContact O-CD1 3.45Å; T882-L886 WeakPolarHBondContact O-CG 3.39Å; T882-L886 PolarHBondContact O-N 3.33Å
883	I	53.5	Low	47.6	Very low	31 Å²	31	73.3 Å²	73.3	16%	0.159	37%	0.371	C	S	.	.	H	α-helix	trans	-62.6	-38.7	173.8	-68.5	170.2	0	0	0	111.2	L797 L811 I879 I880 L886 S887	L797-I883 HydrophobicContact CD1-CD1 4.49Å; L797-I883 HydrophobicContact CD1-CG1 4.41Å; L811-I883 HydrophobicContact CD1-CD1 3.66Å; I879-I883 HydrophobicContact CG2-CD1 3.71Å; I879-I883 HydrophobicContact CG2-CG1 4.35Å; I879-I883 WeakPolarHBondContact O-CG1 3.35Å; I879-I883 PolarHBondContact O-N 3.39Å; I880-I883 PolarHBondContact O-N 3.26Å; I883-L886 PolarHBondContact O-N 3.42Å; I883-S887 PolarHBondContact O-N 3.05Å; I883-S887 PolarHBondContact O-OG 2.96Å
884	E	54.7	Low	46.5	Very low	92 Å²	92	78.1 Å²	78.1	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-66.4	-41.4	172.6	-87.8	-154.1	-147.8	0	0	113.1	I880 T882 S887 K888	I880-E884 WeakPolarHBondContact O-CB 3.45Å; I880-E884 PolarHBondContact O-N 3.5Å; T882-E884 VanDerWaalsContact C-N 3.32Å; T882-E884 PolarHBondContact O-N 3.49Å; E884-S887 PolarHBondContact O-N 2.7Å; E884-S887 PolarHBondContact O-OG 3.5Å; E884-K888 WeakPolarHBondContact O-CD 3.19Å; E884-K888 WeakPolarHBondContact O-CG 3.29Å; E884-K888 PolarHBondContact O-N 3.12Å; E884-K888 IonicContact OE2-NZ 3.62Å; E884-K888 PolarHBondContact OE2-NZ 3.29Å
885	R	49.6	Very low	45.3	Very low	155 Å²	155	77.3 Å²	77.3	59%	0.585	39%	0.389	S	S	*	.	H	α-helix	trans	-64.2	-45	174.2	-79.5	172.3	176.8	-168.9	-1.1	110.1	N881 T882 S887 K888 C889	N881-R885 VanDerWaalsContact O-CB 3.29Å; N881-R885 WeakPolarHBondContact O-CB 3.38Å; N881-R885 WeakPolarHBondContact O-CG 3.44Å; N881-R885 PolarHBondContact O-N 2.98Å; T882-R885 PolarHBondContact O-N 3.19Å; R885-S887 PolarHBondContact O-N 2.68Å; R885-K888 CarbonylContact O-C 3.24Å; R885-K888 WeakPolarHBondContact O-CA 3.37Å; R885-K888 WeakPolarHBondContact O-CB 3.25Å; R885-K888 PolarHBondContact O-N 3.37Å; R885-C889 WeakPolarHBondContact O-CB 3.4Å; R885-C889 PolarHBondContact O-N 3.37Å; R885-C889 PolarHBondContact O-SG 2.91Å
886	L	46.8	Very low	44.1	Very low	55 Å²	55	78.8 Å²	78.8	29%	0.288	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-42.1	176.1	-70.8	157.7	0	0	0	112	C794 T882 I883 K888 C889 T890	C794-L886 HydrophobicContact CB-CD1 4.4Å; C794-L886 WeakPolarHBondContact SG-CD1 3.23Å; T882-L886 HydrophobicContact CG2-CD1 3.69Å; T882-L886 HydrophobicContact CG2-CG 4.36Å; T882-L886 WeakPolarHBondContact O-CB 3.44Å; T882-L886 VanDerWaalsContact O-CD1 3.27Å; T882-L886 WeakPolarHBondContact O-CD1 3.45Å; T882-L886 WeakPolarHBondContact O-CG 3.39Å; T882-L886 PolarHBondContact O-N 3.33Å; I883-L886 PolarHBondContact O-N 3.42Å; L886-K888 PolarHBondContact O-N 3.07Å; L886-K888 VanDerWaalsContact O-N 3.14Å; L886-C889 PolarHBondContact O-N 3.11Å; L886-T890 WeakPolarHBondContact O-CG2 3.28Å; L886-T890 PolarHBondContact O-N 3.04Å; L886-T890 PolarHBondContact O-OG1 3.08Å
887	S	44.3	Very low	42.8	Very low	73 Å²	73	81.9 Å²	81.9	51%	0.51	42%	0.418	S	S	.	.	H	α-helix	trans	-67.1	-10.9	175.7	67.8	0	0	0	0	114.5	I883 E884 R885	I883-S887 PolarHBondContact O-N 3.05Å; I883-S887 PolarHBondContact O-OG 2.96Å; E884-S887 PolarHBondContact O-N 2.7Å; E884-S887 PolarHBondContact O-OG 3.5Å; R885-S887 PolarHBondContact O-N 2.68Å
888	K	39.7	Very low	41.4	Very low	119 Å²	119	79.8 Å²	79.8	52%	0.517	41%	0.411	S	S	.	.	H	α-helix	trans	-102.1	-32.4	171	-63	159.3	-167.2	157.3	0	111.7	E884 R885 L886	E884-K888 WeakPolarHBondContact O-CD 3.19Å; E884-K888 WeakPolarHBondContact O-CG 3.29Å; E884-K888 PolarHBondContact O-N 3.12Å; E884-K888 IonicContact OE2-NZ 3.62Å; E884-K888 PolarHBondContact OE2-NZ 3.29Å; R885-K888 CarbonylContact O-C 3.24Å; R885-K888 WeakPolarHBondContact O-CA 3.37Å; R885-K888 WeakPolarHBondContact O-CB 3.25Å; R885-K888 PolarHBondContact O-N 3.37Å; L886-K888 PolarHBondContact O-N 3.07Å; L886-K888 VanDerWaalsContact O-N 3.14Å
889	C	34.7	Very low	40.1	Very low	60 Å²	60	80.5 Å²	80.5	41%	0.405	41%	0.411	S	S	.	.	H	α-helix	trans	-84.9	-15.1	-179.6	-66.5	0	0	0	0	113.7	R885 L886 E891 S892	R885-C889 WeakPolarHBondContact O-CB 3.4Å; R885-C889 PolarHBondContact O-N 3.37Å; R885-C889 PolarHBondContact O-SG 2.91Å; L886-C889 PolarHBondContact O-N 3.11Å; C889-E891 PolarHBondContact O-N 3.4Å; C889-S892 PolarHBondContact O-N 3.2Å; C889-S892 PolarHBondContact O-OG 2.71Å
890	T	35.4	Very low	38.9	Very low	21 Å²	21	86 Å²	86	13%	0.129	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-64.9	-22	170.2	46	0	0	0	0	112.6	L798 L886 S892 F893	L798-T890 HydrophobicContact CD2-CG2 4.06Å; L886-T890 WeakPolarHBondContact O-CG2 3.28Å; L886-T890 PolarHBondContact O-N 3.04Å; L886-T890 PolarHBondContact O-OG1 3.08Å; T890-S892 PolarHBondContact O-N 3.3Å; T890-F893 PolarHBondContact O-N 3.41Å
891	E	33.2	Very low	37.7	Very low	151 Å²	151	88.5 Å²	88.5	71%	0.706	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-61.9	-21.8	170.7	-59.3	-175.5	170.8	0	0	112.6	C889	C889-E891 PolarHBondContact O-N 3.4Å
892	S	28.7	Very low	36.7	Very low	92 Å²	92	88.1 Å²	88.1	64%	0.643	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-98.5	-10.7	178.5	66.3	0	0	0	0	115	C889 T890	C889-S892 PolarHBondContact O-N 3.2Å; C889-S892 PolarHBondContact O-OG 2.71Å; T890-S892 PolarHBondContact O-N 3.3Å
893	F	27.8	Very low	35.8	Very low	153 Å²	153	90.5 Å²	90.5	67%	0.671	46%	0.463	S	S	*	.	S	Bend	trans	-84.1	130.1	175.4	-89.2	-87.7	0	0	0	110.9	T890 L895	T890-F893 PolarHBondContact O-N 3.41Å; F893-L895 PolarHBondContact O-N 3.43Å
894	N	26.8	Very low	35.1	Very low	150 Å²	150	95.1 Å²	95.1	80%	0.802	49%	0.489	S	S	*	.			trans	-74.3	63.2	-173.6	-104.9	-39.8	0	0	0	113.7	P896	N894-P896 WeakPolarHBondContact O-CD 3.31Å
895	L	27.3	Very low	34.7	Very low	75 Å²	75	93.4 Å²	93.4	39%	0.393	48%	0.482	S	S	.	.			trans	-73.2	117.7	167.1	-86.8	160.2	0	0	0	109.8	F893 N897	F893-L895 PolarHBondContact O-N 3.43Å; L895-N897 PolarHBondContact O-N 3.15Å
896	P	26.4	Very low	34.7	Very low	50 Å²	50	92.9 Å²	92.9	33%	0.325	48%	0.484	S	S	.	.			trans	-66.5	106.4	-170.8	-27.1	38.3	0	0	0	114.5	N894 L898 R1307	N894-P896 WeakPolarHBondContact O-CD 3.31Å; P896-L898 PolarHBondContact O-N 2.98Å; P896-R1307 HydrophobicContact CB-CG 4.13Å; P896-R1307 HydrophobicContact CG-CG 4.19Å
897	N	27.8	Very low	35.2	Very low	114 Å²	114	91.7 Å²	91.7	61%	0.61	48%	0.478	S	S	*	.	S	Bend	trans	39.9	19.7	146.7	-64.7	-4.4	0	0	0	120.6	L895 K900	L895-N897 PolarHBondContact O-N 3.15Å; N897-K900 WeakPolarHBondContact OD1-CE 3.29Å; N897-K900 PolarHBondContact OD1-NZ 3.46Å
898	L	29.2	Very low	35.7	Very low	59 Å²	59	91.8 Å²	91.8	31%	0.309	48%	0.476	S	S	.	.	S	Bend	trans	-113.8	-15.7	171.9	-91.9	160.5	0	0	0	113.6	P896 N1306	P896-L898 PolarHBondContact O-N 2.98Å; L898-N1306 HydrophobicContact CD1-CB 3.69Å; L898-N1306 HydrophobicContact CG-CB 3.85Å
899	Y	31.2	Very low	36.6	Very low	100 Å²	100	88 Å²	88	39%	0.392	46%	0.462	S	S	.	.	S	Bend	trans	-125.1	6.8	-169	-65	-87.5	0	0	0	114.4	H901 G1303	Y899-H901 PolarHBondContact O-N 3.36Å; Y899-G1303 PolarHBondContact OH-O 3.28Å
900	K	30.9	Very low	37.7	Very low	120 Å²	120	86.1 Å²	86.1	52%	0.522	45%	0.448	S	S	.	.			trans	-69.9	1.2	-170.1	-86.9	-177.9	173	168.6	0	117	N897 E902	N897-K900 WeakPolarHBondContact OD1-CE 3.29Å; N897-K900 PolarHBondContact OD1-NZ 3.46Å; K900-E902 PolarHBondContact O-N 2.87Å
901	H	36.3	Very low	38.5	Very low	108 Å²	108	92.9 Å²	92.9	50%	0.5	48%	0.478	S	S	.	.			trans	-97.2	66.2	178	-69.5	-110.4	0	0	0	109.3	R509 E532 Y899 A903	R509-H901 PolarHBondContact NH2-CE1 3.18Å; R509-H901 PolarHBondContact NH2-NE2 3.33Å; E532-H901 IonicContact OE1-CE1 2.74Å; E532-H901 IonicContact OE2-CE1 2.74Å; E532-H901 PolarHBondContact OE2-CE1 3.11Å; E532-H901 IonicContact OE2-CG 2.99Å; E532-H901 IonicContact OE2-ND1 3.34Å; E532-H901 PolarHBondContact OE2-ND1 3.06Å; Y899-H901 PolarHBondContact O-N 3.36Å; H901-A903 VanDerWaalsContact C-N 3.31Å; H901-A903 PolarHBondContact O-N 3.28Å
902	E	34	Very low	39.8	Very low	49 Å²	49	90.9 Å²	90.9	23%	0.229	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.5	-159.2	-67	-164	74.3	0	0	116.3	R801 K900	R801-E902 IonicContact CZ-OE1 2.71Å; R801-E902 IonicContact NH1-OE1 3.23Å; R801-E902 PolarHBondContact NH1-OE1 3.48Å; R801-E902 IonicContact NH2-OE1 3.11Å; R801-E902 PolarHBondContact NH2-OE1 2.97Å; K900-E902 PolarHBondContact O-N 2.87Å
903	A	34.7	Very low	41.3	Very low	73 Å²	73	87 Å²	87	60%	0.603	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-46.6	-171.3	0	0	0	0	0	114.5	H901 K906	H901-A903 VanDerWaalsContact C-N 3.31Å; H901-A903 PolarHBondContact O-N 3.28Å; A903-K906 WeakPolarHBondContact O-CE 3.46Å
904	N	37.6	Very low	43.2	Very low	129 Å²	129	80.4 Å²	80.4	69%	0.69	42%	0.417	S	S	*	.	S	Bend	trans	-100.4	-16.9	-173.5	-67.7	-6	0	0	0	113.6	K906	N904-K906 PolarHBondContact O-N 3.07Å
905	N	46.8	Very low	45.1	Very low	55 Å²	55	73.3 Å²	73.3	29%	0.294	38%	0.379	S	S	.	.			trans	-79.7	49.9	176.2	-75.8	-24.4	0	0	0	112	R801	R801-N905 PolarHBondContact NE-O 3.48Å
906	K	50.1	Low	47	Very low	144 Å²	144	69.8 Å²	69.8	63%	0.626	36%	0.36	S	S	*	.			trans	-91.7	122.8	175.3	-68.8	-173.3	-179.9	-176.5	0	109.9	A903 N904	A903-K906 WeakPolarHBondContact O-CE 3.46Å; N904-K906 PolarHBondContact O-N 3.07Å
907	I	56	Low	48.8	Very low	30 Å²	30	69.5 Å²	69.5	15%	0.154	36%	0.356	C	S	.	.			trans	-65.2	136.5	159.5	-71.7	174.5	0	0	0	107.8	L797 L800 R801 I809 V909	L797-I907 WeakPolarHBondContact O-CD1 3.49Å; L800-I907 HydrophobicContact CB-CD1 4.07Å; R801-I907 HydrophobicContact CB-CD1 3.77Å; R801-I907 HydrophobicContact CB-CG1 4.3Å; R801-I907 HydrophobicContact CG-CD1 4.4Å; R801-I907 HydrophobicContact CG-CG1 4.47Å; I809-I907 HydrophobicContact CB-CG2 4.33Å; I809-I907 HydrophobicContact CD1-CD1 4.1Å; I809-I907 HydrophobicContact CD1-CG2 3.42Å; I809-I907 VanDerWaalsContact CD1-CG2 3.42Å; I809-I907 HydrophobicContact CG1-CG2 3.71Å; I907-V909 HydrophobicContact CG2-CG2 3.75Å; I907-V909 PolarHBondContact O-N 3.45Å
908	T	55.1	Low	50.5	Low	76 Å²	76	64.6 Å²	64.6	47%	0.466	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	89	170	-58.1	0	0	0	0	109.3	S807 I808 I809	S807-T908 PolarHBondContact O-N 2.89Å; I808-T908 WeakPolarHBondContact CA-O 3.21Å; I809-T908 PolarHBondContact N-O 2.79Å
909	V	58.7	Low	51.7	Low	39 Å²	39	65.5 Å²	65.5	24%	0.236	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.5	167.7	-176.5	0	0	0	0	108.1	L797 L811 I907 Q911	L797-V909 HydrophobicContact CD2-CG2 3.9Å; L811-V909 HydrophobicContact CD1-CG1 3.68Å; L811-V909 HydrophobicContact CG-CG1 4.15Å; I907-V909 HydrophobicContact CG2-CG2 3.75Å; I907-V909 PolarHBondContact O-N 3.45Å; V909-Q911 PolarHBondContact O-N 3.11Å
910	L	58.3	Low	52.4	Low	21 Å²	21	66.3 Å²	66.3	11%	0.11	35%	0.352	C	S	.	.			trans	-71.7	125.6	-179	-63.6	171.2	0	0	0	110.4	F772 I808 I809 K810 N912	F772-L910 HydrophobicContact CE2-CD1 4.45Å; I808-L910 HydrophobicContact CG2-CD1 4.13Å; I808-L910 HydrophobicContact CG2-CD2 4.01Å; I808-L910 HydrophobicContact CG2-CG 4.07Å; I809-L910 WeakPolarHBondContact O-CG 3.13Å; I809-L910 PolarHBondContact O-N 3.4Å; K810-L910 HydrophobicContact CB-CD1 4.03Å; K810-L910 HydrophobicContact CD-CD1 3.93Å; L910-N912 PolarHBondContact O-N 3.13Å; L910-N912 VanDerWaalsContact O-N 3.09Å
911	Q	52.6	Low	52.6	Low	163 Å²	163	65.8 Å²	65.8	76%	0.762	36%	0.361	S	S	*	.	S	Bend	trans	-58	-27.2	-170.7	-69.3	176.2	-33.4	0	0	114.5	I880 V909	I880-Q911 WeakPolarHBondContact CD1-O 3.41Å; V909-Q911 PolarHBondContact O-N 3.11Å
912	N	59	Low	52.5	Low	108 Å²	108	63.9 Å²	63.9	58%	0.578	35%	0.354	S	S	*	.			trans	-95	101.4	178.3	-66.6	7.1	0	0	0	110.3	K810 L910 S914	K810-N912 PolarHBondContact NZ-O 3.03Å; L910-N912 PolarHBondContact O-N 3.13Å; L910-N912 VanDerWaalsContact O-N 3.09Å; N912-S914 PolarHBondContact O-N 3.27Å
913	I	61.9	Low	52.3	Low	11 Å²	11	66.5 Å²	66.5	6%	0.056	38%	0.377	C	S	.	.			trans	-62	126.3	160.6	-56.3	176.7	0	0	0	107.1	F777 L811 Q876 I879 F915	F777-I913 HydrophobicContact CE1-CG2 3.99Å; F777-I913 HydrophobicContact CZ-CG2 3.85Å; L811-I913 HydrophobicContact CB-CG1 4.21Å; L811-I913 HydrophobicContact CB-CG2 4.48Å; L811-I913 HydrophobicContact CD1-CG1 4.19Å; Q876-I913 HydrophobicContact CG-CD1 4.36Å; I879-I913 HydrophobicContact CB-CD1 3.81Å; I879-I913 HydrophobicContact CD1-CD1 3.83Å; I879-I913 HydrophobicContact CG1-CD1 4.43Å; I879-I913 HydrophobicContact CG2-CD1 3.63Å; I913-F915 HydrophobicContact CG2-CE1 4.49Å; I913-F915 HydrophobicContact CG2-CE2 4.12Å; I913-F915 HydrophobicContact CG2-CZ 4.01Å
914	S	67.6	Low	51.9	Low	14 Å²	14	71.7 Å²	71.7	10%	0.098	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.6	175.1	-67.1	0	0	0	0	110.5	K810 L811 L812 G813 N912	K810-S914 WeakPolarHBondContact CE-OG 3.28Å; K810-S914 PolarHBondContact NZ-OG 3.33Å; L811-S914 PolarHBondContact O-N 3.02Å; L812-S914 WeakPolarHBondContact CA-O 3.13Å; G813-S914 PolarHBondContact N-O 3.36Å; N912-S914 PolarHBondContact O-N 3.27Å
915	F	64.6	Low	51.4	Low	1 Å²	1	73.4 Å²	73.4	0%	0.004	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.2	-179.5	-67.6	-82.1	0	0	0	109.5	F777 T779 G813 F872 I913 I944 I946 I947	F777-F915 HydrophobicContact CE2-CE1 4.32Å; F777-F915 HydrophobicContact CZ-CE1 4.09Å; T779-F915 HydrophobicContact CG2-CD1 4.34Å; T779-F915 HydrophobicContact CG2-CE1 4.05Å; G813-F915 WeakPolarHBondContact O-CA 3.05Å; F872-F915 HydrophobicContact CD1-CD2 4.46Å; F872-F915 HydrophobicContact CD1-CE1 4.14Å; F872-F915 HydrophobicContact CD1-CE2 4.07Å; F872-F915 AromaticContact CD1-CZ 3.89Å; F872-F915 HydrophobicContact CD1-CZ 3.89Å; F872-F915 HydrophobicContact CE1-CD1 4.16Å; F872-F915 HydrophobicContact CE1-CE1 4.05Å; F872-F915 HydrophobicContact CE1-CG 4.49Å; F872-F915 HydrophobicContact CE1-CZ 4.27Å; I913-F915 HydrophobicContact CG2-CE1 4.49Å; I913-F915 HydrophobicContact CG2-CE2 4.12Å; I913-F915 HydrophobicContact CG2-CZ 4.01Å; F915-I944 HydrophobicContact CD2-CG2 3.72Å; F915-I944 HydrophobicContact CE2-CG2 4.07Å; F915-I946 CarbonylContact O-C 3.42Å; F915-I946 WeakPolarHBondContact O-CA 3.21Å; F915-I947 PolarHBondContact O-N 3.37Å
916	V	68.3	Low	50.3	Low	1 Å²	1	75.8 Å²	75.8	1%	0.006	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.2	177.9	174.6	0	0	0	0	109.7	L812 G813 L918 I947	L812-V916 HydrophobicContact CD1-CG2 3.93Å; L812-V916 HydrophobicContact CD2-CB 4.45Å; L812-V916 HydrophobicContact CD2-CG2 3.81Å; L812-V916 HydrophobicContact CG-CG2 3.96Å; G813-V916 PolarHBondContact O-N 3.46Å; V916-L918 HydrophobicContact CG1-CD2 3.62Å; V916-L918 HydrophobicContact CG1-CG 4.04Å; V916-L918 PolarHBondContact O-N 3.43Å; V916-I947 HydrophobicContact CG2-CD1 4.24Å; V916-I947 HydrophobicContact CG2-CG1 3.78Å
917	N	64.1	Low	49.2	Very low	44 Å²	44	76.8 Å²	76.8	24%	0.235	42%	0.419	C	S	.	.			trans	-77.3	104.4	167.2	-178.1	-44.9	0	0	0	108.4	D817 S919 L920 I946	D817-N917 PolarHBondContact OD1-ND2 3.1Å; D817-N917 PolarHBondContact OD1-OD1 3.31Å; N917-S919 VanDerWaalsContact C-N 3.27Å; N917-S919 WeakPolarHBondContact OD1-CA 3.4Å; N917-S919 PolarHBondContact OD1-N 3.41Å; N917-L920 HydrophobicContact CB-CD1 4.23Å; N917-L920 WeakPolarHBondContact OD1-CG 3.24Å; N917-L920 PolarHBondContact OD1-N 3.04Å; N917-I946 HydrophobicContact CB-CG2 3.69Å
918	L	63.9	Low	47.7	Very low	12 Å²	12	80.5 Å²	80.5	6%	0.063	44%	0.443	C	S	.	.			trans	-86.5	-4.1	173.2	-62.9	175.2	0	0	0	112	T669 L670 T814 V916	T669-L918 HydrophobicContact CG2-CB 3.99Å; T669-L918 HydrophobicContact CG2-CD1 3.95Å; T669-L918 HydrophobicContact CG2-CD2 4.41Å; T669-L918 HydrophobicContact CG2-CG 4.35Å; L670-L918 HydrophobicContact CD1-CD2 4.4Å; T814-L918 HydrophobicContact CG2-CD1 3.83Å; V916-L918 HydrophobicContact CG1-CD2 3.62Å; V916-L918 HydrophobicContact CG1-CG 4.04Å; V916-L918 PolarHBondContact O-N 3.43Å
919	S	53.7	Low	46.3	Very low	78 Å²	78	82.1 Å²	82.1	55%	0.545	46%	0.458	S	S	.	.	S	Bend	trans	-64.3	-40	175.2	51.4	0	0	0	0	115	D817 N917	D817-S919 VanDerWaalsContact OD2-CA 3.29Å; D817-S919 WeakPolarHBondContact OD2-CA 3.46Å; D817-S919 PolarHBondContact OD2-N 3.07Å; D817-S919 PolarHBondContact OD2-OG 3.22Å; N917-S919 VanDerWaalsContact C-N 3.27Å; N917-S919 WeakPolarHBondContact OD1-CA 3.4Å; N917-S919 PolarHBondContact OD1-N 3.41Å
920	L	46	Very low	44.8	Very low	116 Å²	116	85.5 Å²	85.5	61%	0.607	48%	0.483	S	S	*	.	S	Bend	trans	-79.4	125.1	-165.9	-77.9	165.5	0	0	0	113.3	N917	N917-L920 HydrophobicContact CB-CD1 4.23Å; N917-L920 WeakPolarHBondContact OD1-CG 3.24Å; N917-L920 PolarHBondContact OD1-N 3.04Å
921	P	35.6	Very low	43.3	Very low	110 Å²	110	89.9 Å²	89.9	71%	0.714	51%	0.513	S	S	*	.			trans	-74.6	131	172.3	30.3	-32.9	0	0	0	111	S923	P921-S923 PolarHBondContact O-N 3.49Å
922	L	34.1	Very low	42	Very low	67 Å²	67	91 Å²	91	35%	0.351	52%	0.515	S	S	.	.			trans	-52.3	102	170.6	-77.3	161.2	0	0	0	110.9	E677 K924	E677-L922 HydrophobicContact CG-CD1 4.24Å; L922-K924 PolarHBondContact O-N 3.04Å
923	S	29	Very low	40.4	Very low	104 Å²	104	93.7 Å²	93.7	73%	0.727	53%	0.53	S	S	*	.			trans	-78.3	106.9	-176.2	58.2	0	0	0	0	110.4	P921 H925	P921-S923 PolarHBondContact O-N 3.49Å; S923-H925 PolarHBondContact O-N 3.37Å
924	K	26.4	Very low	38.6	Very low	183 Å²	183	100.4 Å²	100.4	80%	0.796	56%	0.558	S	S	*	*			trans	-69.7	62.8	-178.4	-68.2	-170.3	171.2	-168.3	0	114.5	L922	L922-K924 PolarHBondContact O-N 3.04Å
925	H	27.2	Very low	36.6	Very low	164 Å²	164	106.1 Å²	106.1	76%	0.759	59%	0.592	S	S	*	*			trans	-142.1	125.4	162.5	-80.3	-68.8	0	0	0	110.1	S923 I927	S923-H925 PolarHBondContact O-N 3.37Å; H925-I927 PolarHBondContact O-N 2.87Å
926	P	24.4	Very low	34.7	Very low	106 Å²	106	113.2 Å²	113.2	69%	0.688	63%	0.625	S	S	*	*			trans	-66.7	121.7	169.5	28.7	-32.2	0	0	0	108.3	T928	P926-T928 PolarHBondContact O-N 3.32Å
927	I	26.2	Very low	32.7	Very low	164 Å²	164	119.1 Å²	119.1	84%	0.841	66%	0.661	S	S	*	*			trans	-74	83.6	172.3	-58.1	-179.1	0	0	0	107.7	H925	H925-I927 PolarHBondContact O-N 2.87Å
928	T	25.5	Very low	30.8	Very low	108 Å²	108	120.8 Å²	120.8	66%	0.663	68%	0.681	S	S	*	*			trans	-70.2	131.3	173.6	41.4	0	0	0	0	110.2	P926	P926-T928 PolarHBondContact O-N 3.32Å
929	S	26.1	Very low	28.9	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	72%	0.717	S	S	*	*	S	Bend	trans	50.1	88.8	162	56.6	0	0	0	0	117.9
930	S	26.2	Very low	27.6	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	73%	0.728	S	S	*	*				-167.1	137.2	122.4	41.8	0	0	0	0	112.2
931	P	26.8	Very low	26.7	Very low	112 Å²	112	131.3 Å²	131.3	73%	0.727	73%	0.732	S	S	*	*			trans	-86	150.3	171.5	35	-33.4	0	0	0	111.2
932	K	24.9	Very low	26.3	Very low	186 Å²	186	132.8 Å²	132.8	81%	0.809	72%	0.724	S	S	*	*			trans	70.4	102.6	173.8	-46.3	161.9	-174.4	172.3	0	114.8
933	N	26.6	Very low	26	Very low	166 Å²	166	137.3 Å²	137.3	89%	0.888	75%	0.748	S	S	*	*			trans	-124.2	70	136.8	-114.8	-21.3	0	0	0	108.9	V935	N933-V935 PolarHBondContact O-N 3.01Å; N933-V935 VanDerWaalsContact O-N 3.16Å
934	K	24.3	Very low	26.5	Very low	151 Å²	151	134.2 Å²	134.2	66%	0.657	72%	0.723	S	S	*	*			trans	-69.4	105.4	169.1	-74.4	-167.3	177.9	-173	0	108.4	H936	K934-H936 WeakPolarHBondContact CD-NE2 3.41Å; K934-H936 PolarHBondContact O-N 3.44Å
935	V	25.3	Very low	27.6	Very low	134 Å²	134	131.3 Å²	131.3	81%	0.812	72%	0.716	S	S	*	*			trans	-72.3	85.6	160.7	-179.7	0	0	0	0	107.3	N933 V937	N933-V935 PolarHBondContact O-N 3.01Å; N933-V935 VanDerWaalsContact O-N 3.16Å; V935-V937 HydrophobicContact CG1-CG2 4.29Å; V935-V937 PolarHBondContact O-N 3.46Å
936	H	23.6	Very low	28.9	Very low	150 Å²	150	128.2 Å²	128.2	69%	0.694	70%	0.704	S	S	*	*			trans	-72	90.2	174.3	-98.1	-69.5	0	0	0	109.6	K934	K934-H936 WeakPolarHBondContact CD-NE2 3.41Å; K934-H936 PolarHBondContact O-N 3.44Å
937	V	26.6	Very low	30.7	Very low	126 Å²	126	124.2 Å²	124.2	76%	0.764	68%	0.677	S	S	*	*			trans	-102.2	132	152.2	-178.6	0	0	0	0	106.7	V935	V935-V937 HydrophobicContact CG1-CG2 4.29Å; V935-V937 PolarHBondContact O-N 3.46Å
938	A	24	Very low	32.5	Very low	79 Å²	79	119.9 Å²	119.9	65%	0.653	66%	0.655	S	S	*	*			trans	-77.9	149.7	-171.9	0	0	0	0	0	112.5
939	N	24.3	Very low	34.4	Very low	153 Å²	153	115.2 Å²	115.2	82%	0.818	63%	0.627	S	S	*	*	S	Bend	trans	57.1	75.7	160.3	-55.4	-7.4	0	0	0	118
940	Q	26.1	Very low	36.2	Very low	167 Å²	167	113.3 Å²	113.3	78%	0.78	61%	0.608	S	S	*	*			trans	-157.7	139.1	134.3	-77.3	-145.3	-2.5	0	0	110.7	Y942	Q940-Y942 PolarHBondContact O-N 3.24Å
941	P	26.8	Very low	38	Very low	106 Å²	106	113 Å²	113	69%	0.688	60%	0.595	S	S	*	*			trans	-99.5	42.8	-169.4	40.1	-37.6	0	0	0	114.7
942	Y	28	Very low	40.1	Very low	141 Å²	141	107.8 Å²	107.8	55%	0.553	56%	0.56	S	S	*	*			trans	-137.2	88.3	-173.5	-60.5	-65.7	0	0	0	114	Q940	Q940-Y942 PolarHBondContact O-N 3.24Å
943	L	28.6	Very low	42.2	Very low	163 Å²	163	99.7 Å²	99.7	85%	0.853	53%	0.525	S	S	*	.			trans	-109.9	141.6	163.9	-83.7	160.5	0	0	0	108.9
944	I	39.6	Very low	44.1	Very low	38 Å²	38	95.2 Å²	95.2	20%	0.195	51%	0.507	C	S	.	.			trans	-101.7	118.7	173.9	-63.2	93.6	0	0	0	107.4	F872 F915 I946	F872-I944 HydrophobicContact CB-CD1 3.76Å; F872-I944 HydrophobicContact CB-CG1 3.77Å; F915-I944 HydrophobicContact CD2-CG2 3.72Å; F915-I944 HydrophobicContact CE2-CG2 4.07Å; I944-I946 PolarHBondContact O-N 3.23Å; I944-I946 VanDerWaalsContact O-N 3.15Å
945	D	48.7	Very low	46.2	Very low	123 Å²	123	90 Å²	90	66%	0.658	49%	0.485	S	S	*	.			trans	-73.7	105.3	-179.4	-64.3	-35.5	0	0	0	110.6	I947	D945-I947 HydrophobicContact CB-CG2 4.25Å; D945-I947 PolarHBondContact O-N 3.01Å
946	I	54	Low	48.1	Very low	98 Å²	98	83.7 Å²	83.7	50%	0.503	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	102.2	162.2	-61.8	173	0	0	0	106	F915 N917 I944	F915-I946 CarbonylContact O-C 3.42Å; F915-I946 WeakPolarHBondContact O-CA 3.21Å; N917-I946 HydrophobicContact CB-CG2 3.69Å; I944-I946 PolarHBondContact O-N 3.23Å; I944-I946 VanDerWaalsContact O-N 3.15Å
947	I	62.7	Low	50.1	Low	22 Å²	22	77.3 Å²	77.3	11%	0.113	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	144.4	-175.1	63.8	168.5	0	0	0	111.6	L812 F915 V916 D945 E951 L952	L812-I947 HydrophobicContact CD1-CD1 4.37Å; F915-I947 PolarHBondContact O-N 3.37Å; V916-I947 HydrophobicContact CG2-CD1 4.24Å; V916-I947 HydrophobicContact CG2-CG1 3.78Å; D945-I947 HydrophobicContact CB-CG2 4.25Å; D945-I947 PolarHBondContact O-N 3.01Å; I947-E951 VanDerWaalsContact CA-OE2 3.31Å; I947-E951 WeakPolarHBondContact CA-OE2 3.43Å; I947-E951 HydrophobicContact CB-CB 4.21Å; I947-L952 HydrophobicContact CD1-CB 4.13Å; I947-L952 HydrophobicContact CD1-CD1 4.26Å
948	N	63.9	Low	52	Low	73 Å²	73	77.5 Å²	77.5	39%	0.39	41%	0.409	S	S	.	.			trans	-79.8	162.8	168.9	-176.7	26.1	0	0	0	110.9	D950 E951 L952	N948-D950 PolarHBondContact ND2-OD2 3.37Å; N948-D950 PolarHBondContact O-N 3.15Å; N948-E951 PolarHBondContact N-OE2 2.85Å; N948-E951 PolarHBondContact O-N 3.36Å; N948-E951 VanDerWaalsContact O-N 3.13Å; N948-L952 PolarHBondContact O-N 3.25Å
949	V	65.1	Low	53.8	Low	11 Å²	11	77.4 Å²	77.4	7%	0.067	39%	0.392	C	S	.	.	H	α-helix	trans	-62.1	-30.7	179.2	-177.3	0	0	0	0	111.8	H673 L674 L952 W953	H673-V949 HydrophobicContact CB-CG1 4.23Å; H673-V949 HydrophobicContact CB-CG2 3.98Å; L674-V949 HydrophobicContact CD2-CG1 3.88Å; V949-L952 WeakPolarHBondContact O-CB 3.47Å; V949-L952 PolarHBondContact O-N 2.92Å; V949-W953 PolarHBondContact O-N 3.27Å
950	D	63.4	Low	55.4	Low	70 Å²	70	70.5 Å²	70.5	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-71.6	-30.3	176.6	-53.4	-52.1	0	0	0	113	N948 S954	N948-D950 PolarHBondContact ND2-OD2 3.37Å; N948-D950 PolarHBondContact O-N 3.15Å; D950-S954 PolarHBondContact O-N 2.79Å; D950-S954 VanDerWaalsContact O-N 3.08Å; D950-S954 PolarHBondContact O-OG 2.88Å
951	E	65.2	Low	56.7	Low	105 Å²	105	65.4 Å²	65.4	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-76.5	-35.7	174.1	-63.8	170.6	143.6	0	0	110.4	I947 N948 S954 E955	I947-E951 VanDerWaalsContact CA-OE2 3.31Å; I947-E951 WeakPolarHBondContact CA-OE2 3.43Å; I947-E951 HydrophobicContact CB-CB 4.21Å; N948-E951 PolarHBondContact N-OE2 2.85Å; N948-E951 PolarHBondContact O-N 3.36Å; N948-E951 VanDerWaalsContact O-N 3.13Å; E951-S954 WeakPolarHBondContact O-CB 3.34Å; E951-S954 PolarHBondContact O-N 3.13Å; E951-E955 PolarHBondContact O-N 3.44Å
952	L	70.9	Confident	57.7	Low	2 Å²	2	67.3 Å²	67.3	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-42.5	169.7	-178.4	65.6	0	0	0	111.8	L670 L812 I947 N948 V949 S954 E955 I956	L670-L952 HydrophobicContact CD1-CD2 3.83Å; L670-L952 HydrophobicContact CD2-CD2 4.5Å; L812-L952 HydrophobicContact CD1-CD1 4.13Å; L812-L952 HydrophobicContact CD2-CD2 4.2Å; I947-L952 HydrophobicContact CD1-CB 4.13Å; I947-L952 HydrophobicContact CD1-CD1 4.26Å; N948-L952 PolarHBondContact O-N 3.25Å; V949-L952 WeakPolarHBondContact O-CB 3.47Å; V949-L952 PolarHBondContact O-N 2.92Å; L952-S954 VanDerWaalsContact C-N 3.31Å; L952-S954 PolarHBondContact O-N 2.93Å; L952-E955 PolarHBondContact O-N 3.27Å; L952-I956 HydrophobicContact CD1-CD1 4.33Å; L952-I956 HydrophobicContact CG-CD1 4.04Å; L952-I956 VanDerWaalsContact O-CG1 3.27Å; L952-I956 WeakPolarHBondContact O-CG1 3.44Å; L952-I956 PolarHBondContact O-N 3.36Å
953	W	69.4	Low	58.5	Low	15 Å²	15	63.1 Å²	63.1	6%	0.057	32%	0.317	C	S	.	.	H	α-helix	trans	-56.7	-45.9	170.8	-87.7	123.4	0	0	0	111.6	L674 C724 P727 M732 F734 V949 E955 I956 E957	L674-W953 HydrophobicContact CB-CZ2 4.23Å; L674-W953 HydrophobicContact CD2-CD2 4.24Å; L674-W953 HydrophobicContact CD2-CZ2 3.87Å; C724-W953 HydrophobicContact CB-CH2 4.33Å; P727-W953 HydrophobicContact CG-CG 4.44Å; M732-W953 HydrophobicContact CE-CZ3 4.15Å; M732-W953 HydrophobicContact SD-CZ3 3.79Å; F734-W953 AromaticContact CE2-CH2 4Å; F734-W953 HydrophobicContact CE2-CH2 4Å; F734-W953 HydrophobicContact CE2-CZ3 4.46Å; F734-W953 AromaticContact CZ-CH2 3.89Å; F734-W953 HydrophobicContact CZ-CH2 3.89Å; F734-W953 HydrophobicContact CZ-CZ3 4.12Å; V949-W953 PolarHBondContact O-N 3.27Å; W953-E955 PolarHBondContact O-N 3.49Å; W953-I956 PolarHBondContact O-N 2.95Å; W953-E957 PolarHBondContact O-N 3.49Å
954	S	66.5	Low	58.9	Low	73 Å²	73	56.9 Å²	56.9	51%	0.51	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-40.1	179.6	-57.1	0	0	0	0	112.3	D950 E951 L952 H958	D950-S954 PolarHBondContact O-N 2.79Å; D950-S954 VanDerWaalsContact O-N 3.08Å; D950-S954 PolarHBondContact O-OG 2.88Å; E951-S954 WeakPolarHBondContact O-CB 3.34Å; E951-S954 PolarHBondContact O-N 3.13Å; L952-S954 VanDerWaalsContact C-N 3.31Å; L952-S954 PolarHBondContact O-N 2.93Å; S954-H958 WeakPolarHBondContact O-CB 3.19Å; S954-H958 PolarHBondContact O-N 3.41Å
955	E	66.8	Low	58.6	Low	41 Å²	41	62.8 Å²	62.8	19%	0.192	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-40.5	174.5	-168.2	-177.1	176.8	0	0	111.8	K810 E951 L952 W953 R959	K810-E955 WeakPolarHBondContact CE-OE2 3.44Å; K810-E955 VanDerWaalsContact NZ-CD 3.33Å; K810-E955 IonicContact NZ-OE1 2.8Å; K810-E955 PolarHBondContact NZ-OE1 3.14Å; K810-E955 VanDerWaalsContact NZ-OE1 3.11Å; K810-E955 IonicContact NZ-OE2 2.66Å; K810-E955 PolarHBondContact NZ-OE2 3.37Å; E951-E955 PolarHBondContact O-N 3.44Å; L952-E955 PolarHBondContact O-N 3.27Å; W953-E955 PolarHBondContact O-N 3.49Å; E955-R959 WeakPolarHBondContact O-CB 3.39Å; E955-R959 VanDerWaalsContact O-CG 3.25Å; E955-R959 WeakPolarHBondContact O-CG 3.34Å; E955-R959 PolarHBondContact O-N 2.91Å; E955-R959 IonicContact OE1-CZ 3.68Å; E955-R959 VanDerWaalsContact OE1-CZ 3.23Å; E955-R959 IonicContact OE1-NE 2.72Å; E955-R959 PolarHBondContact OE1-NE 2.82Å; E955-R959 IonicContact OE1-NH2 3.11Å; E955-R959 PolarHBondContact OE1-NH2 3.22Å
956	I	66.4	Low	58.1	Low	2 Å²	2	61.5 Å²	61.5	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-49.1	177.4	-69.7	166.6	0	0	0	110.7	I657 M732 F772 I774 L952 W953 R959 I960	I657-I956 HydrophobicContact CD1-CG2 3.87Å; M732-I956 HydrophobicContact CE-CG2 3.99Å; M732-I956 HydrophobicContact SD-CG2 3.77Å; F772-I956 HydrophobicContact CE1-CG1 4.11Å; I774-I956 HydrophobicContact CD1-CD1 4.17Å; L952-I956 HydrophobicContact CD1-CD1 4.33Å; L952-I956 HydrophobicContact CG-CD1 4.04Å; L952-I956 VanDerWaalsContact O-CG1 3.27Å; L952-I956 WeakPolarHBondContact O-CG1 3.44Å; L952-I956 PolarHBondContact O-N 3.36Å; W953-I956 PolarHBondContact O-N 2.95Å; I956-R959 PolarHBondContact O-N 2.95Å; I956-I960 HydrophobicContact CG2-CD1 3.77Å; I956-I960 WeakPolarHBondContact O-CG1 3.44Å; I956-I960 PolarHBondContact O-N 2.91Å
957	E	65.8	Low	57.4	Low	15 Å²	15	59.6 Å²	59.6	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-43.3	178.2	-73.2	-172.2	170.4	0	0	112.6	S726 N728 F730 M732 W953 R959 I960 N961	S726-E957 WeakPolarHBondContact CB-OE1 3.21Å; S726-E957 PolarHBondContact OG-OE1 3Å; N728-E957 WeakPolarHBondContact CB-OE1 3.5Å; N728-E957 PolarHBondContact N-OE1 3.24Å; N728-E957 PolarHBondContact ND2-OE2 3.05Å; F730-E957 HydrophobicContact CD2-CG 4.11Å; M732-E957 HydrophobicContact CE-CG 4.1Å; W953-E957 PolarHBondContact O-N 3.49Å; E957-R959 VanDerWaalsContact C-N 3.28Å; E957-R959 PolarHBondContact O-N 3.35Å; E957-I960 PolarHBondContact O-N 3.16Å; E957-N961 PolarHBondContact O-N 2.72Å; E957-N961 PolarHBondContact O-ND2 3.47Å
958	H	66.2	Low	55.8	Low	130 Å²	130	63.3 Å²	63.3	60%	0.602	33%	0.325	S	S	*	.	H	α-helix	trans	-59.8	-40.8	176.2	-176.5	-64.9	0	0	0	111.2	S954 N961 Y962	S954-H958 WeakPolarHBondContact O-CB 3.19Å; S954-H958 PolarHBondContact O-N 3.41Å; H958-N961 PolarHBondContact O-N 2.96Å; H958-Y962 WeakPolarHBondContact O-CB 3.36Å; H958-Y962 PolarHBondContact O-N 3.35Å
959	R	61.4	Low	54.5	Low	77 Å²	77	66.9 Å²	66.9	29%	0.291	34%	0.337	S	S	.	.	H	α-helix	trans	-70.8	-36.3	179.4	-72.3	-179.2	-173.8	-62.4	-3.2	113	E955 I956 E957 Y962 T963	E955-R959 WeakPolarHBondContact O-CB 3.39Å; E955-R959 VanDerWaalsContact O-CG 3.25Å; E955-R959 WeakPolarHBondContact O-CG 3.34Å; E955-R959 PolarHBondContact O-N 2.91Å; E955-R959 IonicContact OE1-CZ 3.68Å; E955-R959 VanDerWaalsContact OE1-CZ 3.23Å; E955-R959 IonicContact OE1-NE 2.72Å; E955-R959 PolarHBondContact OE1-NE 2.82Å; E955-R959 IonicContact OE1-NH2 3.11Å; E955-R959 PolarHBondContact OE1-NH2 3.22Å; I956-R959 PolarHBondContact O-N 2.95Å; E957-R959 VanDerWaalsContact C-N 3.28Å; E957-R959 PolarHBondContact O-N 3.35Å; R959-Y962 PolarHBondContact O-N 3.02Å; R959-T963 PolarHBondContact O-N 3.17Å; R959-T963 PolarHBondContact O-OG1 2.83Å; R959-T963 VanDerWaalsContact O-OG1 3.13Å
960	I	58.5	Low	53.5	Low	9 Å²	9	71 Å²	71	5%	0.046	36%	0.359	C	S	.	.	H	α-helix	trans	-65.8	-42.7	173.6	-71.9	167.1	0	0	0	111	T655 M732 I956 E957 Y962 T963 C964	T655-I960 HydrophobicContact CG2-CD1 4.08Å; T655-I960 HydrophobicContact CG2-CG1 4.03Å; M732-I960 HydrophobicContact CE-CD1 3.5Å; M732-I960 HydrophobicContact CG-CD1 4.33Å; M732-I960 HydrophobicContact SD-CD1 3.77Å; I956-I960 HydrophobicContact CG2-CD1 3.77Å; I956-I960 WeakPolarHBondContact O-CG1 3.44Å; I956-I960 PolarHBondContact O-N 2.91Å; E957-I960 PolarHBondContact O-N 3.16Å; I960-Y962 VanDerWaalsContact C-N 3.33Å; I960-Y962 PolarHBondContact O-N 3.08Å; I960-T963 PolarHBondContact O-OG1 3.25Å; I960-T963 VanDerWaalsContact O-OG1 3.14Å; I960-C964 WeakPolarHBondContact O-CB 3.28Å; I960-C964 PolarHBondContact O-N 3.01Å; I960-C964 PolarHBondContact O-SG 3.22Å
961	N	52.9	Low	52.6	Low	60 Å²	60	68.8 Å²	68.8	32%	0.321	35%	0.349	S	S	.	.	H	α-helix	trans	-64.6	-37.4	174	-75.7	-65.6	0	0	0	112	F730 E957 H958 Q965	F730-N961 WeakPolarHBondContact CZ-ND2 3.45Å; F730-N961 WeakPolarHBondContact CZ-OD1 3.03Å; E957-N961 PolarHBondContact O-N 2.72Å; E957-N961 PolarHBondContact O-ND2 3.47Å; H958-N961 PolarHBondContact O-N 2.96Å; N961-Q965 WeakPolarHBondContact O-CB 3.08Å; N961-Q965 VanDerWaalsContact O-CG 3.29Å; N961-Q965 WeakPolarHBondContact O-CG 3.27Å; N961-Q965 PolarHBondContact O-N 2.87Å
962	Y	47.3	Very low	51.9	Low	146 Å²	146	70.4 Å²	70.4	57%	0.573	35%	0.354	S	S	*	.	H	α-helix	trans	-66.3	-47.7	176.1	-169.4	-89.3	0	0	0	112.4	H958 R959 I960 C964 Q965 T966	H958-Y962 WeakPolarHBondContact O-CB 3.36Å; H958-Y962 PolarHBondContact O-N 3.35Å; R959-Y962 PolarHBondContact O-N 3.02Å; I960-Y962 VanDerWaalsContact C-N 3.33Å; I960-Y962 PolarHBondContact O-N 3.08Å; Y962-C964 PolarHBondContact O-N 3.25Å; Y962-Q965 PolarHBondContact O-N 2.85Å; Y962-T966 HydrophobicContact CD1-CG2 4.27Å; Y962-T966 HydrophobicContact CE1-CG2 3.89Å; Y962-T966 PolarHBondContact O-N 3.13Å; Y962-T966 PolarHBondContact O-OG1 2.9Å
963	T	45	Very low	51.2	Low	53 Å²	53	72.8 Å²	72.8	33%	0.325	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-45.2	175.7	45.4	0	0	0	0	110.9	I808 R959 I960 Q965 T966 S967	I808-T963 HydrophobicContact CD1-CG2 3.98Å; R959-T963 PolarHBondContact O-N 3.17Å; R959-T963 PolarHBondContact O-OG1 2.83Å; R959-T963 VanDerWaalsContact O-OG1 3.13Å; I960-T963 PolarHBondContact O-OG1 3.25Å; I960-T963 VanDerWaalsContact O-OG1 3.14Å; T963-Q965 PolarHBondContact O-N 3.46Å; T963-T966 WeakPolarHBondContact CA-OG1 3.26Å; T963-T966 CarbonylContact O-C 3.53Å; T963-T966 PolarHBondContact O-N 3.08Å; T963-T966 VanDerWaalsContact O-N 3.09Å; T963-T966 PolarHBondContact O-OG1 2.75Å; T963-S967 WeakPolarHBondContact O-CB 3.31Å; T963-S967 PolarHBondContact O-N 2.67Å; T963-S967 PolarHBondContact O-OG 3.23Å; T963-S967 VanDerWaalsContact O-OG 3.06Å
964	C	37.3	Very low	50.7	Low	32 Å²	32	73.4 Å²	73.4	22%	0.216	37%	0.372	C	S	.	.	H	α-helix	trans	-55.8	-45.2	172.3	-79.7	0	0	0	0	112.9	I960 Y962 T966 S967 N968	I960-C964 WeakPolarHBondContact O-CB 3.28Å; I960-C964 PolarHBondContact O-N 3.01Å; I960-C964 PolarHBondContact O-SG 3.22Å; Y962-C964 PolarHBondContact O-N 3.25Å; C964-T966 VanDerWaalsContact C-N 3.27Å; C964-T966 PolarHBondContact O-N 2.93Å; C964-S967 PolarHBondContact O-N 3.25Å; C964-N968 WeakPolarHBondContact O-CB 3.47Å; C964-N968 PolarHBondContact O-N 3.48Å; C964-N968 PolarHBondContact O-ND2 3.36Å; C964-N968 PolarHBondContact O-OD1 3.01Å
965	Q	34	Very low	50.4	Low	161 Å²	161	76.9 Å²	76.9	75%	0.752	38%	0.378	S	S	*	.	H	α-helix	trans	-65.6	-28.3	177.5	-75.5	175	5.5	0	0	113.1	N961 Y962 T963	N961-Q965 WeakPolarHBondContact O-CB 3.08Å; N961-Q965 VanDerWaalsContact O-CG 3.29Å; N961-Q965 WeakPolarHBondContact O-CG 3.27Å; N961-Q965 PolarHBondContact O-N 2.87Å; Y962-Q965 PolarHBondContact O-N 2.85Å; T963-Q965 PolarHBondContact O-N 3.46Å
966	T	37.5	Very low	50.1	Low	96 Å²	96	76.1 Å²	76.1	59%	0.589	38%	0.378	S	S	*	.	H	α-helix	trans	-87.1	-14.8	173.5	58.9	0	0	0	0	114.8	Y962 T963 C964	Y962-T966 HydrophobicContact CD1-CG2 4.27Å; Y962-T966 HydrophobicContact CE1-CG2 3.89Å; Y962-T966 PolarHBondContact O-N 3.13Å; Y962-T966 PolarHBondContact O-OG1 2.9Å; T963-T966 WeakPolarHBondContact CA-OG1 3.26Å; T963-T966 CarbonylContact O-C 3.53Å; T963-T966 PolarHBondContact O-N 3.08Å; T963-T966 VanDerWaalsContact O-N 3.09Å; T963-T966 PolarHBondContact O-OG1 2.75Å; C964-T966 VanDerWaalsContact C-N 3.27Å; C964-T966 PolarHBondContact O-N 2.93Å
967	S	39.6	Very low	50.2	Low	58 Å²	58	77.2 Å²	77.2	41%	0.406	38%	0.382	S	S	.	.	H	α-helix	trans	-114.5	-12.1	-177.4	72.7	0	0	0	0	115.2	T963 C964 K969	T963-S967 WeakPolarHBondContact O-CB 3.31Å; T963-S967 PolarHBondContact O-N 2.67Å; T963-S967 PolarHBondContact O-OG 3.23Å; T963-S967 VanDerWaalsContact O-OG 3.06Å; C964-S967 PolarHBondContact O-N 3.25Å; S967-K969 PolarHBondContact O-N 2.72Å; S967-K969 VanDerWaalsContact O-N 3.14Å
968	N	29.4	Very low	50.1	Low	101 Å²	101	80.6 Å²	80.6	54%	0.54	40%	0.397	S	S	.	.			trans	-87.9	73.4	-176.9	-68.7	0.2	0	0	0	112.2	C964	C964-N968 WeakPolarHBondContact O-CB 3.47Å; C964-N968 PolarHBondContact O-N 3.48Å; C964-N968 PolarHBondContact O-ND2 3.36Å; C964-N968 PolarHBondContact O-OD1 3.01Å
969	K	36.5	Very low	50	Low	148 Å²	148	77.4 Å²	77.4	64%	0.643	39%	0.39	S	S	*	.	S	Bend		-91.1	126.6	122.3	-83.4	-174.5	177.7	-179.3	0	105.4	E560 S967 C971	E560-K969 IonicContact OE2-NZ 2.71Å; E560-K969 PolarHBondContact OE2-NZ 2.51Å; S967-K969 PolarHBondContact O-N 2.72Å; S967-K969 VanDerWaalsContact O-N 3.14Å; K969-C971 PolarHBondContact O-N 3.32Å; K969-C971 VanDerWaalsContact O-N 3.15Å
970	D	44.4	Very low	50.3	Low	96 Å²	96	73.7 Å²	73.7	51%	0.513	38%	0.376	S	S	.	.			trans	-59.8	118.6	-170.8	-62.2	-93.7	0	0	0	112.6	N651 F972	N651-D970 PolarHBondContact ND2-OD1 3.42Å; D970-F972 PolarHBondContact O-N 2.89Å
971	C	44.3	Very low	50.6	Low	24 Å²	24	73.8 Å²	73.8	16%	0.162	38%	0.376	C	S	.	.			trans	-61.7	98.4	163.3	168.4	0	0	0	0	107.7	K969 I973	K969-C971 PolarHBondContact O-N 3.32Å; K969-C971 VanDerWaalsContact O-N 3.15Å; C971-I973 PolarHBondContact O-N 3.23Å
972	F	50.2	Low	51.1	Low	140 Å²	140	73.3 Å²	73.3	61%	0.614	38%	0.376	S	S	*	.			trans	-72.4	92	-163.3	-163.1	-86.7	0	0	0	112.5	K618 D970	K618-F972 HydrophobicContact CD-CE1 4.33Å; D970-F972 PolarHBondContact O-N 2.89Å
973	I	55.8	Low	52	Low	52 Å²	52	69.9 Å²	69.9	27%	0.267	36%	0.362	S	S	.	.			trans	-76.8	126	173.9	-53.5	173.2	0	0	0	108.8	C971 K975 W977 Y1038	C971-I973 PolarHBondContact O-N 3.23Å; I973-K975 PolarHBondContact O-N 2.83Å; I973-W977 HydrophobicContact CG2-CB 3.77Å; I973-Y1038 HydrophobicContact CD1-CE1 4.01Å; I973-Y1038 VanDerWaalsContact CD1-OH 3.23Å; I973-Y1038 WeakPolarHBondContact CD1-OH 3.4Å; I973-Y1038 HydrophobicContact CG1-CE1 4.11Å; I973-Y1038 WeakPolarHBondContact CG1-OH 3.36Å; I973-Y1038 HydrophobicContact CG2-CE1 4.5Å
974	P	58.6	Low	52.9	Low	27 Å²	27	67.4 Å²	67.4	18%	0.175	35%	0.347	C	S	.	.			trans	-55.9	137.7	172.2	-25	34.3	0	0	0	111.9	S976 W977 H978	P974-S976 PolarHBondContact O-N 3.4Å; P974-S976 VanDerWaalsContact O-N 3.09Å; P974-W977 HydrophobicContact CB-CB 4.26Å; P974-W977 HydrophobicContact CB-CG 3.99Å; P974-W977 HydrophobicContact CG-CD2 3.98Å; P974-W977 HydrophobicContact CG-CG 3.93Å; P974-W977 WeakPolarHBondContact O-CA 3.08Å; P974-W977 WeakPolarHBondContact O-CB 3.41Å; P974-W977 PolarHBondContact O-N 3Å; P974-H978 PolarHBondContact O-N 3.01Å; P974-H978 VanDerWaalsContact O-N 3.14Å
975	K	59.6	Low	54	Low	146 Å²	146	69.8 Å²	69.8	64%	0.635	35%	0.351	S	S	*	.	H	α-helix	trans	-58.5	-28.1	-179.2	-69.7	-156.6	174.5	-156.6	0	112.9	D647 I973 H978 S979	D647-K975 IonicContact OD1-NZ 2.67Å; D647-K975 PolarHBondContact OD1-NZ 3.1Å; D647-K975 IonicContact OD2-NZ 2.72Å; D647-K975 PolarHBondContact OD2-NZ 3.35Å; I973-K975 PolarHBondContact O-N 2.83Å; K975-H978 PolarHBondContact O-N 2.91Å; K975-S979 PolarHBondContact O-N 3.21Å; K975-S979 VanDerWaalsContact O-N 3.13Å; K975-S979 PolarHBondContact O-OG 3.22Å; K975-S979 VanDerWaalsContact O-OG 3.11Å
976	S	62.1	Low	55.3	Low	26 Å²	26	65.9 Å²	65.9	18%	0.182	34%	0.336	C	S	.	.	H	α-helix	trans	-66.9	-41.6	171.6	52.2	0	0	0	0	113.2	P974 H978 S979 L980 M1027 K1028	P974-S976 PolarHBondContact O-N 3.4Å; P974-S976 VanDerWaalsContact O-N 3.09Å; S976-H978 VanDerWaalsContact C-N 3.3Å; S976-H978 PolarHBondContact O-N 3.49Å; S976-S979 PolarHBondContact O-N 3.15Å; S976-L980 PolarHBondContact O-N 2.97Å; S976-M1027 WeakPolarHBondContact CB-O 3.37Å; S976-K1028 WeakPolarHBondContact CB-O 3.26Å; S976-K1028 PolarHBondContact OG-O 3.16Å
977	W	68.3	Low	56.4	Low	24 Å²	24	65.4 Å²	65.4	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-32.5	174.4	-71.6	26	0	0	0	112.5	I973 P974 D1034 C1035 Y1038 Y1039	I973-W977 HydrophobicContact CG2-CB 3.77Å; P974-W977 HydrophobicContact CB-CB 4.26Å; P974-W977 HydrophobicContact CB-CG 3.99Å; P974-W977 HydrophobicContact CG-CD2 3.98Å; P974-W977 HydrophobicContact CG-CG 3.93Å; P974-W977 WeakPolarHBondContact O-CA 3.08Å; P974-W977 WeakPolarHBondContact O-CB 3.41Å; P974-W977 PolarHBondContact O-N 3Å; W977-D1034 HydrophobicContact CH2-CB 3.75Å; W977-D1034 HydrophobicContact CZ2-CB 3.91Å; W977-C1035 HydrophobicContact CD2-CB 3.77Å; W977-C1035 HydrophobicContact CE3-CB 4.22Å; W977-C1035 HydrophobicContact CG-CB 4.09Å; W977-C1035 HydrophobicContact CZ2-CB 4.11Å; W977-Y1038 HydrophobicContact CE3-CD1 4.04Å; W977-Y1038 HydrophobicContact CE3-CG 4.37Å; W977-Y1038 HydrophobicContact CZ3-CD1 4.18Å; W977-Y1038 HydrophobicContact CZ3-CG 4.03Å; W977-Y1039 HydrophobicContact CB-CE2 4.28Å; W977-Y1039 VanDerWaalsContact O-CE2 3.29Å; W977-Y1039 WeakPolarHBondContact O-CE2 3.48Å; W977-Y1039 PolarHBondContact O-OH 2.92Å
978	H	63.1	Low	57.2	Low	86 Å²	86	62.7 Å²	62.7	40%	0.398	31%	0.306	S	S	.	.	H	α-helix	trans	-69.6	-46.1	173.6	-170.3	102.6	0	0	0	111.3	P974 K975 S976 L980 V981 V982	P974-H978 PolarHBondContact O-N 3.01Å; P974-H978 VanDerWaalsContact O-N 3.14Å; K975-H978 PolarHBondContact O-N 2.91Å; S976-H978 VanDerWaalsContact C-N 3.3Å; S976-H978 PolarHBondContact O-N 3.49Å; H978-L980 VanDerWaalsContact C-N 3.32Å; H978-L980 PolarHBondContact O-N 2.97Å; H978-V981 PolarHBondContact O-N 3.14Å; H978-V981 VanDerWaalsContact O-N 3.1Å; H978-V982 PolarHBondContact O-N 3.42Å; H978-V982 VanDerWaalsContact O-N 3.12Å
979	S	64.1	Low	58.2	Low	63 Å²	63	63.2 Å²	63.2	44%	0.441	30%	0.304	S	S	.	.	H	α-helix	trans	-57.1	-42.1	177.3	-64.9	0	0	0	0	112.8	K975 S976 V981 V982 Y983	K975-S979 PolarHBondContact O-N 3.21Å; K975-S979 VanDerWaalsContact O-N 3.13Å; K975-S979 PolarHBondContact O-OG 3.22Å; K975-S979 VanDerWaalsContact O-OG 3.11Å; S976-S979 PolarHBondContact O-N 3.15Å; S979-V981 VanDerWaalsContact C-N 3.26Å; S979-V981 PolarHBondContact O-N 3.41Å; S979-V982 PolarHBondContact O-N 3.04Å; S979-Y983 WeakPolarHBondContact O-CB 3.39Å; S979-Y983 PolarHBondContact O-N 2.92Å
980	L	68	Low	58.9	Low	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-54.3	-43.2	175.3	-179.5	67	0	0	0	111.7	S976 H978 Y983 V984 F1023 F1024 M1027 I1029 C1035 L1036	S976-L980 PolarHBondContact O-N 2.97Å; H978-L980 VanDerWaalsContact C-N 3.32Å; H978-L980 PolarHBondContact O-N 2.97Å; L980-Y983 WeakPolarHBondContact O-CB 3.32Å; L980-Y983 PolarHBondContact O-N 2.81Å; L980-V984 HydrophobicContact CD1-CG2 3.94Å; L980-V984 HydrophobicContact CG-CG2 4.15Å; L980-V984 VanDerWaalsContact O-CB 3.3Å; L980-V984 WeakPolarHBondContact O-CB 3.47Å; L980-V984 VanDerWaalsContact O-CG2 3.25Å; L980-V984 WeakPolarHBondContact O-CG2 3.48Å; L980-V984 PolarHBondContact O-N 2.95Å; L980-F1023 HydrophobicContact CD1-CE1 3.76Å; L980-F1024 HydrophobicContact CD1-CD1 4.47Å; L980-F1024 HydrophobicContact CD1-CE1 3.71Å; L980-F1024 HydrophobicContact CD1-CZ 4.37Å; L980-F1024 HydrophobicContact CD2-CE1 3.96Å; L980-M1027 HydrophobicContact CB-SD 4.37Å; L980-M1027 HydrophobicContact CD1-SD 4.34Å; L980-I1029 HydrophobicContact CB-CD1 3.82Å; L980-I1029 HydrophobicContact CD1-CD1 4.33Å; L980-I1029 HydrophobicContact CD2-CD1 4.16Å; L980-I1029 HydrophobicContact CG-CD1 4.32Å; L980-C1035 VanDerWaalsContact CD2-SG 3.56Å; L980-L1036 HydrophobicContact CD2-CD2 4.28Å
981	V	64.3	Low	59.3	Low	10 Å²	10	59.1 Å²	59.1	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-83.6	-30.1	-172.4	178	0	0	0	0	113.4	H978 S979 Y983 R985 Y1039 Q1044 F1045	H978-V981 PolarHBondContact O-N 3.14Å; H978-V981 VanDerWaalsContact O-N 3.1Å; S979-V981 VanDerWaalsContact C-N 3.26Å; S979-V981 PolarHBondContact O-N 3.41Å; V981-Y983 VanDerWaalsContact C-N 3.31Å; V981-R985 WeakPolarHBondContact O-CB 3.49Å; V981-R985 PolarHBondContact O-N 3.46Å; V981-Y1039 HydrophobicContact CB-CD1 4.45Å; V981-Y1039 HydrophobicContact CB-CE1 4.13Å; V981-Y1039 HydrophobicContact CB-CE2 4.22Å; V981-Y1039 HydrophobicContact CG1-CD1 4.21Å; V981-Y1039 HydrophobicContact CG1-CE1 4.16Å; V981-Y1039 HydrophobicContact CG2-CD1 3.81Å; V981-Y1039 HydrophobicContact CG2-CD2 3.22Å; V981-Y1039 HydrophobicContact CG2-CE1 3.73Å; V981-Y1039 HydrophobicContact CG2-CE2 3.14Å; V981-Y1039 HydrophobicContact CG2-CG 3.54Å; V981-Q1044 HydrophobicContact CG1-CB 4.28Å; V981-Q1044 HydrophobicContact CG1-CG 4.43Å; V981-F1045 HydrophobicContact CG2-CE1 3.87Å
982	V	63.7	Low	59.9	Low	51 Å²	51	62.6 Å²	62.6	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	-58.4	-48.3	164.7	175	0	0	0	0	109.6	H978 S979 D986	H978-V982 PolarHBondContact O-N 3.42Å; H978-V982 VanDerWaalsContact O-N 3.12Å; S979-V982 PolarHBondContact O-N 3.04Å; V982-D986 VanDerWaalsContact O-CB 3.31Å; V982-D986 WeakPolarHBondContact O-CB 3.25Å; V982-D986 VanDerWaalsContact O-CG 3.24Å; V982-D986 PolarHBondContact O-N 3.34Å; V982-D986 VanDerWaalsContact O-N 3.08Å
983	Y	65.8	Low	60.3	Low	74 Å²	74	57 Å²	57	29%	0.29	28%	0.276	S	S	.	.	H	α-helix	trans	-60.9	-54.6	177.1	-174.7	-82.9	0	0	0	112.6	S979 L980 V981 R985 D986 K987 L1017 L1019 F1023 M1027	S979-Y983 WeakPolarHBondContact O-CB 3.39Å; S979-Y983 PolarHBondContact O-N 2.92Å; L980-Y983 WeakPolarHBondContact O-CB 3.32Å; L980-Y983 PolarHBondContact O-N 2.81Å; V981-Y983 VanDerWaalsContact C-N 3.31Å; Y983-R985 PolarHBondContact O-N 2.88Å; Y983-D986 PolarHBondContact O-N 3.5Å; Y983-K987 HydrophobicContact CD1-CG 4.01Å; Y983-K987 HydrophobicContact CE1-CB 4.49Å; Y983-K987 HydrophobicContact CE1-CG 3.74Å; Y983-K987 HydrophobicContact CE2-CG 4.4Å; Y983-K987 HydrophobicContact CG-CG 4.42Å; Y983-K987 VanDerWaalsContact O-CB 3.3Å; Y983-K987 WeakPolarHBondContact O-CB 3.47Å; Y983-K987 VanDerWaalsContact O-CG 3.23Å; Y983-K987 WeakPolarHBondContact O-CG 3.3Å; Y983-K987 PolarHBondContact O-N 3.05Å; Y983-L1017 HydrophobicContact CE1-CD2 4.38Å; Y983-L1019 HydrophobicContact CE1-CD2 4Å; Y983-F1023 HydrophobicContact CD1-CE2 4.25Å; Y983-F1023 AromaticContact CD1-CZ 3.65Å; Y983-F1023 HydrophobicContact CD1-CZ 3.65Å; Y983-F1023 HydrophobicContact CD2-CE2 4.36Å; Y983-F1023 HydrophobicContact CD2-CZ 4.24Å; Y983-F1023 AromaticContact CE1-CE2 3.88Å; Y983-F1023 HydrophobicContact CE1-CE2 3.88Å; Y983-F1023 AromaticContact CE1-CZ 3.68Å; Y983-F1023 HydrophobicContact CE1-CZ 3.68Å; Y983-F1023 AromaticContact CE2-CE2 3.97Å; Y983-F1023 HydrophobicContact CE2-CE2 3.97Å; Y983-F1023 HydrophobicContact CE2-CZ 4.24Å; Y983-F1023 HydrophobicContact CG-CE2 4.5Å; Y983-F1023 AromaticContact CG-CZ 3.96Å; Y983-F1023 HydrophobicContact CG-CZ 3.96Å; Y983-F1023 AromaticContact CZ-CE2 3.71Å; Y983-F1023 AromaticContact CZ-CZ 3.98Å; Y983-M1027 HydrophobicContact CD2-CE 4.36Å; Y983-M1027 HydrophobicContact CG-CE 4.37Å
984	V	64.6	Low	60.7	Low	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-45.1	-177.1	165.5	0	0	0	0	111.3	L980 D986 K987 L988 L1019 F1045 I1059	L980-V984 HydrophobicContact CD1-CG2 3.94Å; L980-V984 HydrophobicContact CG-CG2 4.15Å; L980-V984 VanDerWaalsContact O-CB 3.3Å; L980-V984 WeakPolarHBondContact O-CB 3.47Å; L980-V984 VanDerWaalsContact O-CG2 3.25Å; L980-V984 WeakPolarHBondContact O-CG2 3.48Å; L980-V984 PolarHBondContact O-N 2.95Å; V984-D986 PolarHBondContact O-N 3.47Å; V984-K987 PolarHBondContact O-N 3.05Å; V984-L988 HydrophobicContact CG1-CD1 3.6Å; V984-L988 HydrophobicContact CG1-CG 4.11Å; V984-L988 WeakPolarHBondContact O-CB 3.04Å; V984-L988 WeakPolarHBondContact O-CG 3.47Å; V984-L988 PolarHBondContact O-N 3.01Å; V984-L1019 HydrophobicContact CG2-CD1 4.04Å; V984-F1045 HydrophobicContact CG1-CD1 3.83Å; V984-F1045 HydrophobicContact CG1-CE1 4.06Å; V984-I1059 HydrophobicContact CG1-CD1 4.2Å; V984-I1059 HydrophobicContact CG1-CG2 4.03Å; V984-I1059 HydrophobicContact CG2-CD1 4.33Å
985	R	60.3	Low	61	Low	83 Å²	83	56.5 Å²	56.5	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-46.2	176.5	-178.4	-162.1	67.6	-142.3	-6.3	111.9	V981 Y983 K987	V981-R985 WeakPolarHBondContact O-CB 3.49Å; V981-R985 PolarHBondContact O-N 3.46Å; Y983-R985 PolarHBondContact O-N 2.88Å; R985-K987 VanDerWaalsContact C-N 3.33Å
986	D	60.1	Low	61.3	Low	79 Å²	79	50 Å²	50	42%	0.422	24%	0.242	S	C	.	.	H	α-helix	trans	-77.8	-22.1	-174.1	-64.7	-16.7	0	0	0	112.2	V982 Y983 V984	V982-D986 VanDerWaalsContact O-CB 3.31Å; V982-D986 WeakPolarHBondContact O-CB 3.25Å; V982-D986 VanDerWaalsContact O-CG 3.24Å; V982-D986 PolarHBondContact O-N 3.34Å; V982-D986 VanDerWaalsContact O-N 3.08Å; Y983-D986 PolarHBondContact O-N 3.5Å; V984-D986 PolarHBondContact O-N 3.47Å
987	K	60.5	Low	61.3	Low	85 Å²	85	51.8 Å²	51.8	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-87.8	-27.5	170.5	-66.2	-72.4	-171	170.8	0	114.5	Y983 V984 R985 K989 P990 Y991 L1017	Y983-K987 HydrophobicContact CD1-CG 4.01Å; Y983-K987 HydrophobicContact CE1-CB 4.49Å; Y983-K987 HydrophobicContact CE1-CG 3.74Å; Y983-K987 HydrophobicContact CE2-CG 4.4Å; Y983-K987 HydrophobicContact CG-CG 4.42Å; Y983-K987 VanDerWaalsContact O-CB 3.3Å; Y983-K987 WeakPolarHBondContact O-CB 3.47Å; Y983-K987 VanDerWaalsContact O-CG 3.23Å; Y983-K987 WeakPolarHBondContact O-CG 3.3Å; Y983-K987 PolarHBondContact O-N 3.05Å; V984-K987 PolarHBondContact O-N 3.05Å; R985-K987 VanDerWaalsContact C-N 3.33Å; K987-K989 VanDerWaalsContact C-N 3.29Å; K987-K989 PolarHBondContact O-N 2.8Å; K987-P990 VanDerWaalsContact O-CD 3.27Å; K987-P990 WeakPolarHBondContact O-CD 3.28Å; K987-P990 WeakPolarHBondContact O-CG 3.26Å; K987-Y991 VanDerWaalsContact O-CD2 3.3Å; K987-Y991 WeakPolarHBondContact O-CD2 3.49Å; K987-L1017 HydrophobicContact CB-CD2 3.72Å; K987-L1017 HydrophobicContact CD-CD1 4.4Å; K987-L1017 HydrophobicContact CG-CD2 4.32Å
988	L	57.5	Low	60.8	Low	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-32.9	-179.7	-93	168.2	0	0	0	113.1	V984 Y991 F992 V994 F1045 I1059 H1061	V984-L988 HydrophobicContact CG1-CD1 3.6Å; V984-L988 HydrophobicContact CG1-CG 4.11Å; V984-L988 WeakPolarHBondContact O-CB 3.04Å; V984-L988 WeakPolarHBondContact O-CG 3.47Å; V984-L988 PolarHBondContact O-N 3.01Å; L988-Y991 PolarHBondContact O-N 3.12Å; L988-F992 PolarHBondContact O-N 2.74Å; L988-V994 HydrophobicContact CD2-CG2 3.81Å; L988-V994 HydrophobicContact CG-CG2 4.19Å; L988-F1045 HydrophobicContact CD1-CB 4.17Å; L988-I1059 HydrophobicContact CD1-CG2 4.04Å; L988-I1059 HydrophobicContact CD2-CG2 4.46Å; L988-H1061 HydrophobicContact CD2-CB 4.46Å
989	K	51.1	Low	60.1	Low	113 Å²	113	52.9 Å²	52.9	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-51	-50.7	-175.1	-75.5	179.9	177.8	174.8	0	114.5	K987	K987-K989 VanDerWaalsContact C-N 3.29Å; K987-K989 PolarHBondContact O-N 2.8Å
990	P	50.1	Low	58.7	Low	76 Å²	76	55.4 Å²	55.4	49%	0.494	29%	0.289	S	S	.	.	H	α-helix	trans	-79.3	-28.6	175.7	28.4	-37	0	0	0	115.1	K987	K987-P990 VanDerWaalsContact O-CD 3.27Å; K987-P990 WeakPolarHBondContact O-CD 3.28Å; K987-P990 WeakPolarHBondContact O-CG 3.26Å
991	Y	54.1	Low	56.8	Low	81 Å²	81	59.3 Å²	59.3	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-97.1	-13.1	-169.4	-63.7	-62.3	0	0	0	115	K987 L988 M993 L1017	K987-Y991 VanDerWaalsContact O-CD2 3.3Å; K987-Y991 WeakPolarHBondContact O-CD2 3.49Å; L988-Y991 PolarHBondContact O-N 3.12Å; Y991-M993 PolarHBondContact O-N 2.78Å; Y991-L1017 HydrophobicContact CD2-CB 3.95Å; Y991-L1017 HydrophobicContact CE2-CB 4.44Å; Y991-L1017 HydrophobicContact CE2-CD1 4.36Å; Y991-L1017 HydrophobicContact CG-CB 4.28Å
992	F	57	Low	55.1	Low	97 Å²	97	67.6 Å²	67.6	43%	0.425	37%	0.367	S	S	.	.	S	Bend	trans	63.7	-33.6	-178.1	-56.2	-94.9	0	0	0	115.7	L988 H1061 V1064	L988-F992 PolarHBondContact O-N 2.74Å; F992-H1061 PolarHBondContact O-N 2.92Å; F992-V1064 HydrophobicContact CB-CG1 4.43Å; F992-V1064 HydrophobicContact CD1-CG1 4.03Å; F992-V1064 HydrophobicContact CD1-CG2 3.75Å; F992-V1064 HydrophobicContact CE1-CG2 4.49Å
993	M	57.5	Low	53.3	Low	24 Å²	24	72.6 Å²	72.6	12%	0.118	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.1	-178.5	-64.7	175.9	74.4	0	0	110.7	Y991 I1059 L1060 I1122 L1126	Y991-M993 PolarHBondContact O-N 2.78Å; M993-I1059 CarbonylContact C-O 3.52Å; M993-I1059 VanDerWaalsContact CA-O 3.27Å; M993-I1059 WeakPolarHBondContact CA-O 3.03Å; M993-L1060 HydrophobicContact CE-CD2 4.16Å; M993-L1060 HydrophobicContact CE-CG 4.23Å; M993-L1060 HydrophobicContact CG-CD2 3.57Å; M993-L1060 HydrophobicContact CG-CG 4.15Å; M993-L1060 HydrophobicContact SD-CD2 4.05Å; M993-I1122 HydrophobicContact CE-CG2 3.8Å; M993-I1122 HydrophobicContact SD-CG2 3.4Å; M993-I1122 WeakPolarHBondContact SD-CG2 3.26Å; M993-L1126 HydrophobicContact CE-CD1 4.31Å; M993-L1126 HydrophobicContact CE-CG 4.39Å; M993-L1126 HydrophobicContact SD-CD1 3.52Å; M993-L1126 VanDerWaalsContact SD-CD1 3.52Å; M993-L1126 HydrophobicContact SD-CG 4.22Å
994	V	64.8	Low	51.4	Low	2 Å²	2	76.8 Å²	76.8	1%	0.012	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.5	173.5	-178	0	0	0	0	109.9	L988 L1017 L1019 L1058 I1059	L988-V994 HydrophobicContact CD2-CG2 3.81Å; L988-V994 HydrophobicContact CG-CG2 4.19Å; V994-L1017 HydrophobicContact CB-CD2 4.48Å; V994-L1017 HydrophobicContact CG1-CB 4.4Å; V994-L1017 HydrophobicContact CG1-CD2 3.92Å; V994-L1017 HydrophobicContact CG1-CG 4.33Å; V994-L1017 HydrophobicContact CG2-CB 4.47Å; V994-L1017 HydrophobicContact CG2-CD2 3.74Å; V994-L1019 HydrophobicContact CG1-CB 4.5Å; V994-L1019 HydrophobicContact CG1-CD1 3.85Å; V994-L1019 HydrophobicContact CG1-CG 3.69Å; V994-L1058 PolarHBondContact O-N 3.33Å; V994-I1059 HydrophobicContact CB-CB 4.13Å; V994-I1059 PolarHBondContact N-O 2.89Å; V994-I1059 PolarHBondContact O-N 3.36Å
995	K	65.4	Low	49.6	Very low	65 Å²	65	86 Å²	86	28%	0.283	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	138.8	171.3	-162.9	-154.7	174.5	-160.2	0	109.2	D997 L1017 T1018 L1019 D1056	K995-D997 IonicContact NZ-OD2 3.84Å; K995-D997 PolarHBondContact NZ-OD2 3.21Å; K995-L1017 PolarHBondContact N-O 2.78Å; K995-T1018 HydrophobicContact CB-CG2 4.43Å; K995-T1018 HydrophobicContact CD-CG2 4.22Å; K995-T1018 CarbonylContact O-C 3.58Å; K995-T1018 WeakPolarHBondContact O-CA 3.44Å; K995-L1019 PolarHBondContact O-N 3.39Å; K995-D1056 WeakPolarHBondContact CG-O 3.46Å
996	L	64.6	Low	48	Very low	10 Å²	10	88.8 Å²	88.8	5%	0.052	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.1	172.3	-88.9	158.4	0	0	0	109.5	L998 L1019 F1024 L1036 Y1047 D1056 L1058 I1059	L996-L998 HydrophobicContact CD2-CD2 4.49Å; L996-L1019 HydrophobicContact CD2-CB 3.77Å; L996-L1019 HydrophobicContact CD2-CD1 4.41Å; L996-L1019 HydrophobicContact CG-CB 4.49Å; L996-F1024 HydrophobicContact CD2-CE2 3.53Å; L996-F1024 HydrophobicContact CD2-CZ 3.65Å; L996-L1036 HydrophobicContact CD1-CD1 3.58Å; L996-Y1047 HydrophobicContact CD1-CE2 4.1Å; L996-D1056 PolarHBondContact N-O 3.42Å; L996-L1058 HydrophobicContact CB-CB 4.27Å; L996-L1058 HydrophobicContact CB-CD1 4.4Å; L996-L1058 HydrophobicContact CD1-CB 3.58Å; L996-L1058 HydrophobicContact CD1-CD1 4.37Å; L996-L1058 HydrophobicContact CG-CB 4.44Å; L996-I1059 HydrophobicContact CD1-CD1 4.06Å; L996-I1059 HydrophobicContact CD1-CG1 3.81Å
997	D	62.5	Low	46.3	Very low	64 Å²	64	91.2 Å²	91.2	34%	0.342	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	85.7	-176.2	-140.9	-43.8	0	0	0	110.4	K995 G999 T1018 L1019 D1020 K1021	K995-D997 IonicContact NZ-OD2 3.84Å; K995-D997 PolarHBondContact NZ-OD2 3.21Å; D997-G999 VanDerWaalsContact C-N 3.34Å; D997-T1018 HydrophobicContact CB-CG2 3.85Å; D997-L1019 PolarHBondContact N-O 3.14Å; D997-D1020 WeakPolarHBondContact O-CA 3.23Å; D997-K1021 PolarHBondContact O-N 3.41Å
998	L	58.1	Low	44.6	Very low	81 Å²	81	91.9 Å²	91.9	42%	0.424	52%	0.521	S	S	.	.			trans	-101	33.1	-174.7	-57.5	177.4	0	0	0	111.5	L996 F1024 I1032	L996-L998 HydrophobicContact CD2-CD2 4.49Å; L998-F1024 HydrophobicContact CD2-CD2 4.36Å; L998-F1024 HydrophobicContact CD2-CE2 4.32Å; L998-I1032 HydrophobicContact CD2-CD1 3.75Å; L998-I1032 HydrophobicContact CD2-CG2 4.43Å
999	G	47.9	Very low	43	Very low	51 Å²	51	97.5 Å²	97.5	53%	0.526	56%	0.561	S	S	.	*			trans	-57.4	141.1	-171.9	0	0	0	0	0	114.6	D997	D997-G999 VanDerWaalsContact C-N 3.34Å
1000	S	34.2	Very low	41.8	Very low	116 Å²	116	97.3 Å²	97.3	81%	0.811	57%	0.573	S	S	*	*			trans	-68.9	131.6	172.5	52.7	0	0	0	0	111.1	Q1002	S1000-Q1002 PolarHBondContact O-N 3.05Å
1001	G	27.9	Very low	40.6	Very low	83 Å²	83	103.8 Å²	103.8	86%	0.856	59%	0.594	S	S	*	*			trans	-65.6	113.3	-179.1	0	0	0	0	0	113.4
1002	Q	28.9	Very low	39.3	Very low	183 Å²	183	106.5 Å²	106.5	86%	0.855	61%	0.612	S	S	*	*			trans	-129.6	150.2	147.7	-79.2	-162.4	-18.8	0	0	109	S1000	S1000-Q1002 PolarHBondContact O-N 3.05Å
1003	N	25.9	Very low	37.9	Very low	156 Å²	156	104.6 Å²	104.6	83%	0.834	62%	0.62	S	S	*	*			trans	-65.9	134.5	-168.9	-52.8	-21.4	0	0	0	111.5
1004	N	26.8	Very low	36.7	Very low	162 Å²	162	110.6 Å²	110.6	87%	0.866	65%	0.653	S	S	*	*			trans	-146.8	102.8	153	-94.7	-43.2	0	0	0	108.8	D1006	N1004-D1006 PolarHBondContact O-N 3.3Å
1005	E	27.1	Very low	35.7	Very low	193 Å²	193	117 Å²	117	90%	0.902	69%	0.687	S	S	*	*			trans	-76.5	72.2	172.1	-63.3	178.7	125	0	0	109.9
1006	D	25.8	Very low	34.9	Very low	143 Å²	143	119.2 Å²	119.2	77%	0.765	70%	0.698	S	S	*	*			trans	-167.4	89.1	163	-111.2	-23.7	0	0	0	112.4	N1004	N1004-D1006 PolarHBondContact O-N 3.3Å
1007	C	25	Very low	34.7	Very low	129 Å²	129	119.7 Å²	119.7	87%	0.872	70%	0.701	S	S	*	*			trans	-148.3	29.4	169.1	-104.8	0	0	0	0	114.6	S1009	C1007-S1009 PolarHBondContact O-N 3.1Å
1008	S	24.3	Very low	34.5	Very low	100 Å²	100	119.4 Å²	119.4	70%	0.699	70%	0.701	S	S	*	*	S	Bend	trans	-76.9	113.7	162.3	57.2	0	0	0	0	110.4
1009	S	24.8	Very low	34.9	Very low	119 Å²	119	115.6 Å²	115.6	83%	0.832	68%	0.682	S	S	*	*			trans	66.3	98.5	173	72	0	0	0	0	117.9	C1007	C1007-S1009 PolarHBondContact O-N 3.1Å
1010	S	24.5	Very low	35.8	Very low	108 Å²	108	116.3 Å²	116.3	76%	0.755	67%	0.673	S	S	*	*			trans	-150	162.7	145.8	70.9	0	0	0	0	111.2
1011	K	25.3	Very low	37.2	Very low	212 Å²	212	116.1 Å²	116.1	92%	0.922	66%	0.658	S	S	*	*			trans	-91.2	109.1	-168.7	-64.1	165.5	-177.6	167.6	0	111.3
1012	I	27	Very low	38.9	Very low	138 Å²	138	116.4 Å²	116.4	71%	0.708	64%	0.643	S	S	*	*			trans	-83.9	134.4	165.4	-60.2	175.8	0	0	0	108.7
1013	G	27.2	Very low	40.7	Very low	57 Å²	57	109 Å²	109	59%	0.588	61%	0.608	S	S	*	*			trans	-70.4	145.1	-174.3	0	0	0	0	0	114	N1015	G1013-N1015 PolarHBondContact O-N 3.38Å
1014	N	32.6	Very low	42.7	Very low	151 Å²	151	101.6 Å²	101.6	81%	0.807	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	-2.2	-162.8	-61.4	-4.8	0	0	0	119.4
1015	N	44.1	Very low	44.5	Very low	135 Å²	135	98.3 Å²	98.3	72%	0.722	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.8	16	-161.7	-74.2	-0.7	0	0	0	115.8	G1013	G1013-N1015 PolarHBondContact O-N 3.38Å
1016	Q	49.3	Very low	46.4	Very low	112 Å²	112	96.8 Å²	96.8	52%	0.523	54%	0.544	S	S	.	.			trans	-130.2	138.9	178.2	-70.6	-177.3	-16.3	0	0	112.5
1017	L	58.7	Low	48.2	Very low	20 Å²	20	92.3 Å²	92.3	11%	0.105	52%	0.519	C	S	.	.			trans	-104.2	124.3	167.4	-166.4	82.6	0	0	0	108.6	Y983 K987 Y991 V994 K995	Y983-L1017 HydrophobicContact CE1-CD2 4.38Å; K987-L1017 HydrophobicContact CB-CD2 3.72Å; K987-L1017 HydrophobicContact CD-CD1 4.4Å; K987-L1017 HydrophobicContact CG-CD2 4.32Å; Y991-L1017 HydrophobicContact CD2-CB 3.95Å; Y991-L1017 HydrophobicContact CE2-CB 4.44Å; Y991-L1017 HydrophobicContact CE2-CD1 4.36Å; Y991-L1017 HydrophobicContact CG-CB 4.28Å; V994-L1017 HydrophobicContact CB-CD2 4.48Å; V994-L1017 HydrophobicContact CG1-CB 4.4Å; V994-L1017 HydrophobicContact CG1-CD2 3.92Å; V994-L1017 HydrophobicContact CG1-CG 4.33Å; V994-L1017 HydrophobicContact CG2-CB 4.47Å; V994-L1017 HydrophobicContact CG2-CD2 3.74Å; K995-L1017 PolarHBondContact N-O 2.78Å
1018	T	59.6	Low	50.2	Low	58 Å²	58	93.7 Å²	93.7	36%	0.356	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.7	171.7	-55.3	0	0	0	0	108.7	K995 D997	K995-T1018 HydrophobicContact CB-CG2 4.43Å; K995-T1018 HydrophobicContact CD-CG2 4.22Å; K995-T1018 CarbonylContact O-C 3.58Å; K995-T1018 WeakPolarHBondContact O-CA 3.44Å; D997-T1018 HydrophobicContact CB-CG2 3.85Å
1019	L	66.7	Low	52.2	Low	2 Å²	2	89.2 Å²	89.2	1%	0.01	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108	166.6	-62.7	178.5	0	0	0	108	Y983 V984 V994 K995 L996 D997 F1023 F1024 I1059	Y983-L1019 HydrophobicContact CE1-CD2 4Å; V984-L1019 HydrophobicContact CG2-CD1 4.04Å; V994-L1019 HydrophobicContact CG1-CB 4.5Å; V994-L1019 HydrophobicContact CG1-CD1 3.85Å; V994-L1019 HydrophobicContact CG1-CG 3.69Å; K995-L1019 PolarHBondContact O-N 3.39Å; L996-L1019 HydrophobicContact CD2-CB 3.77Å; L996-L1019 HydrophobicContact CD2-CD1 4.41Å; L996-L1019 HydrophobicContact CG-CB 4.49Å; D997-L1019 PolarHBondContact N-O 3.14Å; L1019-F1023 HydrophobicContact CD2-CD1 3.79Å; L1019-F1023 HydrophobicContact CD2-CD2 4.3Å; L1019-F1023 HydrophobicContact CD2-CE1 3.69Å; L1019-F1023 HydrophobicContact CD2-CE2 4.2Å; L1019-F1023 HydrophobicContact CD2-CG 4.09Å; L1019-F1023 HydrophobicContact CD2-CZ 3.89Å; L1019-F1024 HydrophobicContact CB-CE2 3.95Å; L1019-F1024 HydrophobicContact CB-CZ 4.22Å; L1019-F1024 HydrophobicContact CD1-CZ 4.17Å; L1019-I1059 HydrophobicContact CD1-CD1 4.27Å
1020	D	65.3	Low	54	Low	65 Å²	65	90 Å²	90	35%	0.348	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	171.4	174.9	54	57.4	0	0	0	111.8	D997 T1022 F1023 F1024	D997-D1020 WeakPolarHBondContact O-CA 3.23Å; D1020-T1022 VanDerWaalsContact C-N 3.32Å; D1020-T1022 VanDerWaalsContact CG-OG1 3.23Å; D1020-T1022 PolarHBondContact O-N 3.07Å; D1020-T1022 WeakPolarHBondContact OD1-CA 3.49Å; D1020-T1022 WeakPolarHBondContact OD1-CB 3.44Å; D1020-T1022 PolarHBondContact OD1-N 2.93Å; D1020-T1022 VanDerWaalsContact OD1-N 3.15Å; D1020-T1022 PolarHBondContact OD1-OG1 2.91Å; D1020-F1023 PolarHBondContact O-N 3.27Å; D1020-F1023 PolarHBondContact OD1-N 2.87Å; D1020-F1024 VanDerWaalsContact O-CD2 3.23Å; D1020-F1024 WeakPolarHBondContact O-CD2 3.5Å
1021	K	63.8	Low	55.9	Low	113 Å²	113	86.6 Å²	86.6	49%	0.491	45%	0.446	S	S	.	.	H	α-helix	trans	-59.2	-40.8	176.5	-172.4	-175.9	170.8	-173.1	0	112.7	D997 F1023 F1024 D1025	D997-K1021 PolarHBondContact O-N 3.41Å; K1021-F1023 VanDerWaalsContact C-N 3.27Å; K1021-F1023 PolarHBondContact O-N 3.4Å; K1021-F1024 PolarHBondContact O-N 2.59Å; K1021-D1025 PolarHBondContact O-N 3.15Å
1022	T	64.1	Low	58	Low	88 Å²	88	77.8 Å²	77.8	54%	0.54	41%	0.409	S	S	.	.	H	α-helix	trans	-57.2	-37.5	-179.4	21.2	0	0	0	0	112.8	D1020 F1024 D1025 E1026	D1020-T1022 VanDerWaalsContact C-N 3.32Å; D1020-T1022 VanDerWaalsContact CG-OG1 3.23Å; D1020-T1022 PolarHBondContact O-N 3.07Å; D1020-T1022 WeakPolarHBondContact OD1-CA 3.49Å; D1020-T1022 WeakPolarHBondContact OD1-CB 3.44Å; D1020-T1022 PolarHBondContact OD1-N 2.93Å; D1020-T1022 VanDerWaalsContact OD1-N 3.15Å; D1020-T1022 PolarHBondContact OD1-OG1 2.91Å; T1022-F1024 VanDerWaalsContact C-N 3.33Å; T1022-F1024 PolarHBondContact O-N 2.95Å; T1022-D1025 PolarHBondContact O-N 3.43Å; T1022-E1026 WeakPolarHBondContact O-CB 3.39Å; T1022-E1026 WeakPolarHBondContact O-CG 3.4Å; T1022-E1026 PolarHBondContact O-N 3.23Å
1023	F	67.4	Low	59.9	Low	29 Å²	29	75 Å²	75	13%	0.127	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-36.9	173	177	-88.8	0	0	0	113.4	L980 Y983 L1019 D1020 K1021 M1027	L980-F1023 HydrophobicContact CD1-CE1 3.76Å; Y983-F1023 HydrophobicContact CD1-CE2 4.25Å; Y983-F1023 AromaticContact CD1-CZ 3.65Å; Y983-F1023 HydrophobicContact CD1-CZ 3.65Å; Y983-F1023 HydrophobicContact CD2-CE2 4.36Å; Y983-F1023 HydrophobicContact CD2-CZ 4.24Å; Y983-F1023 AromaticContact CE1-CE2 3.88Å; Y983-F1023 HydrophobicContact CE1-CE2 3.88Å; Y983-F1023 AromaticContact CE1-CZ 3.68Å; Y983-F1023 HydrophobicContact CE1-CZ 3.68Å; Y983-F1023 AromaticContact CE2-CE2 3.97Å; Y983-F1023 HydrophobicContact CE2-CE2 3.97Å; Y983-F1023 HydrophobicContact CE2-CZ 4.24Å; Y983-F1023 HydrophobicContact CG-CE2 4.5Å; Y983-F1023 AromaticContact CG-CZ 3.96Å; Y983-F1023 HydrophobicContact CG-CZ 3.96Å; Y983-F1023 AromaticContact CZ-CE2 3.71Å; Y983-F1023 AromaticContact CZ-CZ 3.98Å; L1019-F1023 HydrophobicContact CD2-CD1 3.79Å; L1019-F1023 HydrophobicContact CD2-CD2 4.3Å; L1019-F1023 HydrophobicContact CD2-CE1 3.69Å; L1019-F1023 HydrophobicContact CD2-CE2 4.2Å; L1019-F1023 HydrophobicContact CD2-CG 4.09Å; L1019-F1023 HydrophobicContact CD2-CZ 3.89Å; D1020-F1023 PolarHBondContact O-N 3.27Å; D1020-F1023 PolarHBondContact OD1-N 2.87Å; K1021-F1023 VanDerWaalsContact C-N 3.27Å; K1021-F1023 PolarHBondContact O-N 3.4Å; F1023-M1027 HydrophobicContact CE1-CE 4Å; F1023-M1027 HydrophobicContact CE1-CG 4.29Å; F1023-M1027 HydrophobicContact CE1-SD 3.71Å; F1023-M1027 HydrophobicContact CE2-CE 3.89Å; F1023-M1027 HydrophobicContact CZ-CE 3.35Å; F1023-M1027 HydrophobicContact CZ-CG 4.4Å; F1023-M1027 HydrophobicContact CZ-SD 3.74Å; F1023-M1027 WeakPolarHBondContact O-CB 3.26Å; F1023-M1027 WeakPolarHBondContact O-CG 3.49Å; F1023-M1027 PolarHBondContact O-N 3.12Å
1024	F	66.9	Low	61.6	Low	0 Å²	0	73 Å²	73	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-76.2	-35.1	176.9	-68.6	-77.5	0	0	0	112.6	L980 L996 L998 L1019 D1020 K1021 T1022 M1027 K1028 I1029 I1032	L980-F1024 HydrophobicContact CD1-CD1 4.47Å; L980-F1024 HydrophobicContact CD1-CE1 3.71Å; L980-F1024 HydrophobicContact CD1-CZ 4.37Å; L980-F1024 HydrophobicContact CD2-CE1 3.96Å; L996-F1024 HydrophobicContact CD2-CE2 3.53Å; L996-F1024 HydrophobicContact CD2-CZ 3.65Å; L998-F1024 HydrophobicContact CD2-CD2 4.36Å; L998-F1024 HydrophobicContact CD2-CE2 4.32Å; L1019-F1024 HydrophobicContact CB-CE2 3.95Å; L1019-F1024 HydrophobicContact CB-CZ 4.22Å; L1019-F1024 HydrophobicContact CD1-CZ 4.17Å; D1020-F1024 VanDerWaalsContact O-CD2 3.23Å; D1020-F1024 WeakPolarHBondContact O-CD2 3.5Å; K1021-F1024 PolarHBondContact O-N 2.59Å; T1022-F1024 VanDerWaalsContact C-N 3.33Å; T1022-F1024 PolarHBondContact O-N 2.95Å; F1024-M1027 PolarHBondContact O-N 3.27Å; F1024-K1028 PolarHBondContact O-N 2.92Å; F1024-I1029 HydrophobicContact CB-CB 4.47Å; F1024-I1029 HydrophobicContact CD1-CB 4.16Å; F1024-I1029 HydrophobicContact CD1-CD1 4.03Å; F1024-I1029 HydrophobicContact CD1-CG2 4.2Å; F1024-I1029 PolarHBondContact O-N 2.96Å; F1024-I1032 HydrophobicContact CB-CD1 3.6Å; F1024-I1032 HydrophobicContact CB-CG1 3.81Å; F1024-I1032 HydrophobicContact CD1-CB 4.42Å; F1024-I1032 HydrophobicContact CD1-CD1 4.19Å; F1024-I1032 HydrophobicContact CD1-CG1 3.77Å; F1024-I1032 HydrophobicContact CD1-CG2 4.02Å; F1024-I1032 HydrophobicContact CD2-CD1 3.62Å; F1024-I1032 HydrophobicContact CD2-CG1 4.12Å; F1024-I1032 HydrophobicContact CD2-CG2 4.26Å; F1024-I1032 HydrophobicContact CE1-CG1 4.39Å; F1024-I1032 HydrophobicContact CE1-CG2 3.74Å; F1024-I1032 HydrophobicContact CE2-CD1 4.35Å; F1024-I1032 HydrophobicContact CE2-CG2 4Å; F1024-I1032 HydrophobicContact CG-CD1 3.53Å; F1024-I1032 HydrophobicContact CG-CG1 3.63Å; F1024-I1032 HydrophobicContact CG-CG2 4.27Å; F1024-I1032 HydrophobicContact CZ-CG2 3.74Å
1025	D	65.9	Low	63.2	Low	92 Å²	92	65.8 Å²	65.8	49%	0.492	33%	0.33	S	S	.	.	H	α-helix	trans	-64.4	-43.8	172.7	-63.9	-29.3	0	0	0	110.2	K1021 T1022 M1027 K1028	K1021-D1025 PolarHBondContact O-N 3.15Å; T1022-D1025 PolarHBondContact O-N 3.43Å; D1025-M1027 PolarHBondContact O-N 3.28Å; D1025-K1028 PolarHBondContact O-N 3.4Å
1026	E	65.9	Low	64.5	Low	162 Å²	162	59.3 Å²	59.3	76%	0.757	30%	0.296	S	S	*	.	H	α-helix	trans	-60.4	-42	172.1	-77.9	-173.1	174.2	0	0	112.8	T1022 K1028	T1022-E1026 WeakPolarHBondContact O-CB 3.39Å; T1022-E1026 WeakPolarHBondContact O-CG 3.4Å; T1022-E1026 PolarHBondContact O-N 3.23Å; E1026-K1028 VanDerWaalsContact C-N 3.27Å; E1026-K1028 PolarHBondContact O-N 3.17Å
1027	M	64.3	Low	65.1	Low	49 Å²	49	55.7 Å²	55.7	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-75.9	-8.1	177.8	-76.4	-153.8	167.5	0	0	114.5	S976 L980 Y983 F1023 F1024 D1025 I1029	S976-M1027 WeakPolarHBondContact CB-O 3.37Å; L980-M1027 HydrophobicContact CB-SD 4.37Å; L980-M1027 HydrophobicContact CD1-SD 4.34Å; Y983-M1027 HydrophobicContact CD2-CE 4.36Å; Y983-M1027 HydrophobicContact CG-CE 4.37Å; F1023-M1027 HydrophobicContact CE1-CE 4Å; F1023-M1027 HydrophobicContact CE1-CG 4.29Å; F1023-M1027 HydrophobicContact CE1-SD 3.71Å; F1023-M1027 HydrophobicContact CE2-CE 3.89Å; F1023-M1027 HydrophobicContact CZ-CE 3.35Å; F1023-M1027 HydrophobicContact CZ-CG 4.4Å; F1023-M1027 HydrophobicContact CZ-SD 3.74Å; F1023-M1027 WeakPolarHBondContact O-CB 3.26Å; F1023-M1027 WeakPolarHBondContact O-CG 3.49Å; F1023-M1027 PolarHBondContact O-N 3.12Å; F1024-M1027 PolarHBondContact O-N 3.27Å; D1025-M1027 PolarHBondContact O-N 3.28Å; M1027-I1029 HydrophobicContact CB-CD1 3.71Å; M1027-I1029 HydrophobicContact CB-CG1 3.9Å; M1027-I1029 HydrophobicContact SD-CD1 4.25Å
1028	K	67	Low	65.3	Low	157 Å²	157	55 Å²	55	68%	0.683	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	63.2	-174.2	-52.8	-176.5	-178.8	-174.1	0	111.9	S976 F1024 D1025 E1026	S976-K1028 WeakPolarHBondContact CB-O 3.26Å; S976-K1028 PolarHBondContact OG-O 3.16Å; F1024-K1028 PolarHBondContact O-N 2.92Å; D1025-K1028 PolarHBondContact O-N 3.4Å; E1026-K1028 VanDerWaalsContact C-N 3.27Å; E1026-K1028 PolarHBondContact O-N 3.17Å
1029	I	65.7	Low	65.5	Low	6 Å²	6	52.9 Å²	52.9	3%	0.031	26%	0.261	C	S	.	.			trans	-118.5	82.5	-179.7	-59.5	178.5	0	0	0	109.3	L980 F1024 M1027 N1031 I1032 C1035	L980-I1029 HydrophobicContact CB-CD1 3.82Å; L980-I1029 HydrophobicContact CD1-CD1 4.33Å; L980-I1029 HydrophobicContact CD2-CD1 4.16Å; L980-I1029 HydrophobicContact CG-CD1 4.32Å; F1024-I1029 HydrophobicContact CB-CB 4.47Å; F1024-I1029 HydrophobicContact CD1-CB 4.16Å; F1024-I1029 HydrophobicContact CD1-CD1 4.03Å; F1024-I1029 HydrophobicContact CD1-CG2 4.2Å; F1024-I1029 PolarHBondContact O-N 2.96Å; M1027-I1029 HydrophobicContact CB-CD1 3.71Å; M1027-I1029 HydrophobicContact CB-CG1 3.9Å; M1027-I1029 HydrophobicContact SD-CD1 4.25Å; I1029-N1031 PolarHBondContact O-N 3.35Å; I1029-I1032 HydrophobicContact CG2-CG1 4.44Å; I1029-C1035 HydrophobicContact CG2-CB 4.31Å
1030	D	62.1	Low	65.4	Low	137 Å²	137	55.1 Å²	55.1	73%	0.733	27%	0.272	S	S	*	.	S	Bend	trans	-71.2	-1.7	-174.1	-30.5	-63.9	0	0	0	113.9	K610	K610-D1030 PolarHBondContact NZ-O 2.9Å
1031	N	65	Low	64.8	Low	35 Å²	35	54.2 Å²	54.2	19%	0.187	27%	0.27	C	S	.	.			trans	-146.4	103.1	161.6	-153.4	-23.7	0	0	0	111.9	K610 I1029 E1033 D1034 C1035	K610-N1031 PolarHBondContact NZ-ND2 3.42Å; I1029-N1031 PolarHBondContact O-N 3.35Å; N1031-E1033 PolarHBondContact OD1-N 3.34Å; N1031-D1034 HydrophobicContact CB-CB 4.06Å; N1031-D1034 PolarHBondContact ND2-OD1 3.44Å; N1031-D1034 PolarHBondContact ND2-OD2 2.73Å; N1031-C1035 PolarHBondContact O-N 3.48Å
1032	I	70.1	Confident	64.4	Low	28 Å²	28	51 Å²	51	14%	0.144	26%	0.259	C	S	.	.	H	α-helix	trans	-70.6	-46	-178.7	-57.1	170.2	0	0	0	110.3	L998 F1024 I1029 C1035 L1036	L998-I1032 HydrophobicContact CD2-CD1 3.75Å; L998-I1032 HydrophobicContact CD2-CG2 4.43Å; F1024-I1032 HydrophobicContact CB-CD1 3.6Å; F1024-I1032 HydrophobicContact CB-CG1 3.81Å; F1024-I1032 HydrophobicContact CD1-CB 4.42Å; F1024-I1032 HydrophobicContact CD1-CD1 4.19Å; F1024-I1032 HydrophobicContact CD1-CG1 3.77Å; F1024-I1032 HydrophobicContact CD1-CG2 4.02Å; F1024-I1032 HydrophobicContact CD2-CD1 3.62Å; F1024-I1032 HydrophobicContact CD2-CG1 4.12Å; F1024-I1032 HydrophobicContact CD2-CG2 4.26Å; F1024-I1032 HydrophobicContact CE1-CG1 4.39Å; F1024-I1032 HydrophobicContact CE1-CG2 3.74Å; F1024-I1032 HydrophobicContact CE2-CD1 4.35Å; F1024-I1032 HydrophobicContact CE2-CG2 4Å; F1024-I1032 HydrophobicContact CG-CD1 3.53Å; F1024-I1032 HydrophobicContact CG-CG1 3.63Å; F1024-I1032 HydrophobicContact CG-CG2 4.27Å; F1024-I1032 HydrophobicContact CZ-CG2 3.74Å; I1029-I1032 HydrophobicContact CG2-CG1 4.44Å; I1032-C1035 PolarHBondContact O-N 2.94Å; I1032-L1036 HydrophobicContact CG2-CD1 3.75Å; I1032-L1036 HydrophobicContact CG2-CG 4.38Å; I1032-L1036 VanDerWaalsContact O-CG 3.28Å; I1032-L1036 WeakPolarHBondContact O-CG 3.4Å; I1032-L1036 PolarHBondContact O-N 3.3Å
1033	E	67.3	Low	64	Low	80 Å²	80	47.9 Å²	47.9	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-67.8	-40.7	-174.9	-178.7	163.4	-163.7	0	0	112	N1031 C1035 L1036 N1037 Y1047	N1031-E1033 PolarHBondContact OD1-N 3.34Å; E1033-C1035 VanDerWaalsContact C-N 3.35Å; E1033-C1035 PolarHBondContact O-N 3.26Å; E1033-L1036 PolarHBondContact O-N 3.48Å; E1033-N1037 VanDerWaalsContact CG-ND2 3.28Å; E1033-N1037 WeakPolarHBondContact CG-ND2 3.45Å; E1033-N1037 VanDerWaalsContact O-CB 3.31Å; E1033-N1037 WeakPolarHBondContact O-CB 3.31Å; E1033-N1037 PolarHBondContact O-N 3.18Å; E1033-N1037 PolarHBondContact O-ND2 2.84Å; E1033-Y1047 HydrophobicContact CG-CE1 4.29Å
1034	D	61.6	Low	63.6	Low	13 Å²	13	48.8 Å²	48.8	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-45.1	174.4	-65.1	-4.5	0	0	0	111.6	H607 W977 N1031 L1036 N1037 Y1038	H607-D1034 IonicContact CE1-OD1 2.74Å; H607-D1034 IonicContact CG-OD1 2.65Å; H607-D1034 IonicContact ND1-OD1 3.98Å; H607-D1034 PolarHBondContact ND1-OD1 3.24Å; W977-D1034 HydrophobicContact CH2-CB 3.75Å; W977-D1034 HydrophobicContact CZ2-CB 3.91Å; N1031-D1034 HydrophobicContact CB-CB 4.06Å; N1031-D1034 PolarHBondContact ND2-OD1 3.44Å; N1031-D1034 PolarHBondContact ND2-OD2 2.73Å; D1034-L1036 PolarHBondContact O-N 3.44Å; D1034-N1037 PolarHBondContact O-N 3.28Å; D1034-Y1038 VanDerWaalsContact O-CB 3.29Å; D1034-Y1038 WeakPolarHBondContact O-CB 3.34Å; D1034-Y1038 PolarHBondContact O-N 3.15Å
1035	C	67.1	Low	63.5	Low	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-43.7	-180	-172.3	0	0	0	0	111	W977 L980 I1029 N1031 I1032 E1033 Y1038 Y1039	W977-C1035 HydrophobicContact CD2-CB 3.77Å; W977-C1035 HydrophobicContact CE3-CB 4.22Å; W977-C1035 HydrophobicContact CG-CB 4.09Å; W977-C1035 HydrophobicContact CZ2-CB 4.11Å; L980-C1035 VanDerWaalsContact CD2-SG 3.56Å; I1029-C1035 HydrophobicContact CG2-CB 4.31Å; N1031-C1035 PolarHBondContact O-N 3.48Å; I1032-C1035 PolarHBondContact O-N 2.94Å; E1033-C1035 VanDerWaalsContact C-N 3.35Å; E1033-C1035 PolarHBondContact O-N 3.26Å; C1035-Y1038 PolarHBondContact O-N 2.8Å; C1035-Y1039 WeakPolarHBondContact O-CD2 3.28Å; C1035-Y1039 PolarHBondContact O-N 2.84Å
1036	L	70.1	Confident	63.3	Low	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.6	-40.5	178.9	-64.2	173.5	0	0	0	112	L980 L996 I1032 E1033 D1034 H1040 F1045 Y1047 I1059	L980-L1036 HydrophobicContact CD2-CD2 4.28Å; L996-L1036 HydrophobicContact CD1-CD1 3.58Å; I1032-L1036 HydrophobicContact CG2-CD1 3.75Å; I1032-L1036 HydrophobicContact CG2-CG 4.38Å; I1032-L1036 VanDerWaalsContact O-CG 3.28Å; I1032-L1036 WeakPolarHBondContact O-CG 3.4Å; I1032-L1036 PolarHBondContact O-N 3.3Å; E1033-L1036 PolarHBondContact O-N 3.48Å; D1034-L1036 PolarHBondContact O-N 3.44Å; L1036-H1040 VanDerWaalsContact O-CB 3.29Å; L1036-H1040 WeakPolarHBondContact O-CB 3.48Å; L1036-H1040 PolarHBondContact O-N 3.12Å; L1036-F1045 HydrophobicContact CB-CE2 4.37Å; L1036-F1045 HydrophobicContact CD2-CE2 3.85Å; L1036-F1045 HydrophobicContact CD2-CZ 3.66Å; L1036-F1045 WeakPolarHBondContact O-CE2 3.39Å; L1036-Y1047 HydrophobicContact CB-CD1 3.75Å; L1036-Y1047 HydrophobicContact CB-CD2 3.73Å; L1036-Y1047 HydrophobicContact CB-CE1 3.81Å; L1036-Y1047 HydrophobicContact CB-CE2 3.8Å; L1036-Y1047 HydrophobicContact CB-CG 3.74Å; L1036-Y1047 HydrophobicContact CD1-CD2 3.88Å; L1036-Y1047 HydrophobicContact CD1-CE2 3.36Å; L1036-Y1047 HydrophobicContact CG-CD2 4.31Å; L1036-Y1047 HydrophobicContact CG-CE2 4.17Å; L1036-I1059 HydrophobicContact CD2-CD1 3.72Å; L1036-I1059 HydrophobicContact CD2-CG1 4.35Å
1037	N	62.6	Low	63.4	Low	35 Å²	35	38.5 Å²	38.5	19%	0.187	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-37	174.1	-78.5	-44.6	0	0	0	112.9	E1033 D1034 H1040 S1041 Y1047	E1033-N1037 VanDerWaalsContact CG-ND2 3.28Å; E1033-N1037 WeakPolarHBondContact CG-ND2 3.45Å; E1033-N1037 VanDerWaalsContact O-CB 3.31Å; E1033-N1037 WeakPolarHBondContact O-CB 3.31Å; E1033-N1037 PolarHBondContact O-N 3.18Å; E1033-N1037 PolarHBondContact O-ND2 2.84Å; D1034-N1037 PolarHBondContact O-N 3.28Å; N1037-H1040 PolarHBondContact O-N 3.16Å; N1037-S1041 PolarHBondContact O-N 2.97Å; N1037-Y1047 WeakPolarHBondContact OD1-CD1 3.39Å
1038	Y	62.7	Low	63.4	Low	6 Å²	6	38.6 Å²	38.6	2%	0.024	20%	0.196	C	C	.	.	H	α-helix	trans	-57.7	-55.8	174.7	173.6	-111.5	0	0	0	111.9	P596 S598 I973 W977 D1034 C1035 H1040 S1041 I1042	P596-Y1038 HydrophobicContact CB-CD2 3.5Å; P596-Y1038 VanDerWaalsContact CB-CD2 3.5Å; P596-Y1038 HydrophobicContact CB-CE2 3.57Å; P596-Y1038 HydrophobicContact CG-CD2 3.68Å; P596-Y1038 HydrophobicContact CG-CE2 3.5Å; P596-Y1038 VanDerWaalsContact CG-CE2 3.5Å; S598-Y1038 WeakPolarHBondContact OG-CA 3.15Å; I973-Y1038 HydrophobicContact CD1-CE1 4.01Å; I973-Y1038 VanDerWaalsContact CD1-OH 3.23Å; I973-Y1038 WeakPolarHBondContact CD1-OH 3.4Å; I973-Y1038 HydrophobicContact CG1-CE1 4.11Å; I973-Y1038 WeakPolarHBondContact CG1-OH 3.36Å; I973-Y1038 HydrophobicContact CG2-CE1 4.5Å; W977-Y1038 HydrophobicContact CE3-CD1 4.04Å; W977-Y1038 HydrophobicContact CE3-CG 4.37Å; W977-Y1038 HydrophobicContact CZ3-CD1 4.18Å; W977-Y1038 HydrophobicContact CZ3-CG 4.03Å; D1034-Y1038 VanDerWaalsContact O-CB 3.29Å; D1034-Y1038 WeakPolarHBondContact O-CB 3.34Å; D1034-Y1038 PolarHBondContact O-N 3.15Å; C1035-Y1038 PolarHBondContact O-N 2.8Å; Y1038-H1040 VanDerWaalsContact C-N 3.32Å; Y1038-H1040 PolarHBondContact O-N 3.37Å; Y1038-S1041 PolarHBondContact O-N 2.91Å; Y1038-S1041 VanDerWaalsContact O-N 3.15Å; Y1038-S1041 PolarHBondContact O-OG 3.47Å; Y1038-I1042 HydrophobicContact CD1-CD1 4.4Å; Y1038-I1042 HydrophobicContact CD2-CD1 4.2Å; Y1038-I1042 HydrophobicContact CE1-CD1 3.8Å; Y1038-I1042 HydrophobicContact CE2-CD1 3.57Å; Y1038-I1042 PolarHBondContact O-N 3.07Å; Y1038-I1042 WeakPolarHBondContact OH-CD1 3.48Å
1039	Y	64.1	Low	62.8	Low	13 Å²	13	32.5 Å²	32.5	5%	0.051	17%	0.173	C	C	.	.	H	α-helix	trans	-74.3	-22.1	-178.1	-71.3	-69.3	0	0	0	114.1	W977 V981 C1035 G1043 Q1044 F1045	W977-Y1039 HydrophobicContact CB-CE2 4.28Å; W977-Y1039 VanDerWaalsContact O-CE2 3.29Å; W977-Y1039 WeakPolarHBondContact O-CE2 3.48Å; W977-Y1039 PolarHBondContact O-OH 2.92Å; V981-Y1039 HydrophobicContact CB-CD1 4.45Å; V981-Y1039 HydrophobicContact CB-CE1 4.13Å; V981-Y1039 HydrophobicContact CB-CE2 4.22Å; V981-Y1039 HydrophobicContact CG1-CD1 4.21Å; V981-Y1039 HydrophobicContact CG1-CE1 4.16Å; V981-Y1039 HydrophobicContact CG2-CD1 3.81Å; V981-Y1039 HydrophobicContact CG2-CD2 3.22Å; V981-Y1039 HydrophobicContact CG2-CE1 3.73Å; V981-Y1039 HydrophobicContact CG2-CE2 3.14Å; V981-Y1039 HydrophobicContact CG2-CG 3.54Å; C1035-Y1039 WeakPolarHBondContact O-CD2 3.28Å; C1035-Y1039 PolarHBondContact O-N 2.84Å; Y1039-G1043 PolarHBondContact O-N 3.28Å; Y1039-Q1044 HydrophobicContact CD1-CB 4.27Å; Y1039-Q1044 HydrophobicContact CD1-CG 4.01Å; Y1039-Q1044 PolarHBondContact O-N 3.34Å; Y1039-F1045 VanDerWaalsContact CB-CZ 3.41Å; Y1039-F1045 HydrophobicContact CD2-CZ 4.39Å; Y1039-F1045 HydrophobicContact CG-CE1 4.24Å; Y1039-F1045 HydrophobicContact CG-CZ 4.29Å
1040	H	64.9	Low	62.1	Low	49 Å²	49	41.5 Å²	41.5	23%	0.227	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-48.3	163.9	173.7	39.7	0	0	0	112.1	L1036 N1037 Y1038 I1042 G1043 F1045 Y1047	L1036-H1040 VanDerWaalsContact O-CB 3.29Å; L1036-H1040 WeakPolarHBondContact O-CB 3.48Å; L1036-H1040 PolarHBondContact O-N 3.12Å; N1037-H1040 PolarHBondContact O-N 3.16Å; Y1038-H1040 VanDerWaalsContact C-N 3.32Å; Y1038-H1040 PolarHBondContact O-N 3.37Å; H1040-I1042 VanDerWaalsContact C-N 3.26Å; H1040-I1042 PolarHBondContact O-N 3.39Å; H1040-G1043 PolarHBondContact O-N 2.83Å; H1040-F1045 WeakPolarHBondContact CA-O 3Å; H1040-Y1047 PolarHBondContact CD2-O 2.88Å
1041	S	53.4	Low	61.6	Low	46 Å²	46	38.1 Å²	38.1	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-63.8	-29.4	179.6	77.7	0	0	0	0	113.8	N1037 Y1038	N1037-S1041 PolarHBondContact O-N 2.97Å; Y1038-S1041 PolarHBondContact O-N 2.91Å; Y1038-S1041 VanDerWaalsContact O-N 3.15Å; Y1038-S1041 PolarHBondContact O-OG 3.47Å
1042	I	55.2	Low	60.6	Low	47 Å²	47	41.7 Å²	41.7	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-81.5	-23	175	-66.7	175.7	0	0	0	111.1	K656 Y1038 H1040 Q1044	K656-I1042 WeakPolarHBondContact CE-O 3.32Å; K656-I1042 PolarHBondContact NZ-O 3.13Å; Y1038-I1042 HydrophobicContact CD1-CD1 4.4Å; Y1038-I1042 HydrophobicContact CD2-CD1 4.2Å; Y1038-I1042 HydrophobicContact CE1-CD1 3.8Å; Y1038-I1042 HydrophobicContact CE2-CD1 3.57Å; Y1038-I1042 PolarHBondContact O-N 3.07Å; Y1038-I1042 WeakPolarHBondContact OH-CD1 3.48Å; H1040-I1042 VanDerWaalsContact C-N 3.26Å; H1040-I1042 PolarHBondContact O-N 3.39Å; I1042-Q1044 HydrophobicContact CG2-CG 4.15Å
1043	G	55.4	Low	59.4	Low	21 Å²	21	44.9 Å²	44.9	22%	0.216	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	28.4	-178.4	0	0	0	0	0	114	Y1039 H1040 F1045 P1062	Y1039-G1043 PolarHBondContact O-N 3.28Å; H1040-G1043 PolarHBondContact O-N 2.83Å; G1043-F1045 VanDerWaalsContact C-N 3.34Å; G1043-P1062 WeakPolarHBondContact O-CG 3.01Å
1044	Q	59.1	Low	58.6	Low	49 Å²	49	41.3 Å²	41.3	23%	0.229	20%	0.2	C	C	.	.	S	Bend	trans	-71.3	-34.3	168.3	-72.5	-70	-32.5	0	0	111.1	V981 Y1039 I1042	V981-Q1044 HydrophobicContact CG1-CB 4.28Å; V981-Q1044 HydrophobicContact CG1-CG 4.43Å; Y1039-Q1044 HydrophobicContact CD1-CB 4.27Å; Y1039-Q1044 HydrophobicContact CD1-CG 4.01Å; Y1039-Q1044 PolarHBondContact O-N 3.34Å; I1042-Q1044 HydrophobicContact CG2-CG 4.15Å
1045	F	64.2	Low	58	Low	2 Å²	2	47.2 Å²	47.2	1%	0.009	23%	0.225	C	C	.	.	S	Bend	trans	-147.9	179.6	166.8	50.9	-106.7	0	0	0	109.1	V981 V984 L988 L1036 Y1039 H1040 G1043 I1059	V981-F1045 HydrophobicContact CG2-CE1 3.87Å; V984-F1045 HydrophobicContact CG1-CD1 3.83Å; V984-F1045 HydrophobicContact CG1-CE1 4.06Å; L988-F1045 HydrophobicContact CD1-CB 4.17Å; L1036-F1045 HydrophobicContact CB-CE2 4.37Å; L1036-F1045 HydrophobicContact CD2-CE2 3.85Å; L1036-F1045 HydrophobicContact CD2-CZ 3.66Å; L1036-F1045 WeakPolarHBondContact O-CE2 3.39Å; Y1039-F1045 VanDerWaalsContact CB-CZ 3.41Å; Y1039-F1045 HydrophobicContact CD2-CZ 4.39Å; Y1039-F1045 HydrophobicContact CG-CE1 4.24Å; Y1039-F1045 HydrophobicContact CG-CZ 4.29Å; H1040-F1045 WeakPolarHBondContact CA-O 3Å; G1043-F1045 VanDerWaalsContact C-N 3.34Å; F1045-I1059 HydrophobicContact CB-CG2 3.59Å; F1045-I1059 HydrophobicContact CD1-CG2 4.19Å; F1045-I1059 HydrophobicContact CD2-CG2 3.67Å; F1045-I1059 HydrophobicContact CE2-CG2 4.36Å; F1045-I1059 HydrophobicContact CG-CG2 3.57Å
1046	L	62.8	Low	57	Low	27 Å²	27	51.8 Å²	51.8	14%	0.141	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.3	174	-59.2	173.7	0	0	0	109.9	F1048 I1059 L1060 F1065	L1046-F1048 HydrophobicContact CB-CE2 3.67Å; L1046-F1048 HydrophobicContact CB-CZ 4Å; L1046-F1048 HydrophobicContact CD1-CE2 4.49Å; L1046-F1048 HydrophobicContact CD1-CZ 4.36Å; L1046-I1059 WeakPolarHBondContact O-CA 3.23Å; L1046-L1060 HydrophobicContact CB-CB 4.15Å; L1046-L1060 PolarHBondContact N-O 3.06Å; L1046-L1060 PolarHBondContact O-N 3.46Å; L1046-F1065 HydrophobicContact CD1-CB 3.57Å; L1046-F1065 HydrophobicContact CD1-CD1 3.54Å; L1046-F1065 HydrophobicContact CD1-CD2 3.96Å; L1046-F1065 HydrophobicContact CD1-CE1 4.18Å; L1046-F1065 HydrophobicContact CD1-CG 3.41Å; L1046-F1065 VanDerWaalsContact CD1-CG 3.41Å
1047	Y	66.4	Low	56.1	Low	8 Å²	8	54 Å²	54	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.8	-176.7	178.6	-113.1	0	0	0	109.8	L996 E1033 L1036 N1037 H1040 P1049 L1058	L996-Y1047 HydrophobicContact CD1-CE2 4.1Å; E1033-Y1047 HydrophobicContact CG-CE1 4.29Å; L1036-Y1047 HydrophobicContact CB-CD1 3.75Å; L1036-Y1047 HydrophobicContact CB-CD2 3.73Å; L1036-Y1047 HydrophobicContact CB-CE1 3.81Å; L1036-Y1047 HydrophobicContact CB-CE2 3.8Å; L1036-Y1047 HydrophobicContact CB-CG 3.74Å; L1036-Y1047 HydrophobicContact CD1-CD2 3.88Å; L1036-Y1047 HydrophobicContact CD1-CE2 3.36Å; L1036-Y1047 HydrophobicContact CG-CD2 4.31Å; L1036-Y1047 HydrophobicContact CG-CE2 4.17Å; N1037-Y1047 WeakPolarHBondContact OD1-CD1 3.39Å; H1040-Y1047 PolarHBondContact CD2-O 2.88Å; Y1047-P1049 HydrophobicContact CD1-CB 4.37Å; Y1047-P1049 HydrophobicContact CD1-CG 3.93Å; Y1047-P1049 HydrophobicContact CE1-CB 3.64Å; Y1047-P1049 HydrophobicContact CE1-CG 3.58Å; Y1047-P1049 WeakPolarHBondContact O-CD 3.31Å; Y1047-L1058 WeakPolarHBondContact CA-O 3.47Å; Y1047-L1058 HydrophobicContact CD2-CB 3.92Å; Y1047-L1058 HydrophobicContact CD2-CD2 4.12Å; Y1047-L1058 HydrophobicContact CD2-CG 4.46Å; Y1047-L1058 VanDerWaalsContact CD2-O 3.26Å; Y1047-L1058 WeakPolarHBondContact CD2-O 3.4Å; Y1047-L1058 HydrophobicContact CE2-CB 3.8Å; Y1047-L1058 HydrophobicContact CE2-CD1 3.81Å; Y1047-L1058 HydrophobicContact CE2-CD2 3.92Å; Y1047-L1058 HydrophobicContact CE2-CG 4.06Å
1048	F	64.1	Low	56.1	Low	51 Å²	51	52.8 Å²	52.8	22%	0.224	25%	0.251	C	S	.	.			trans	-129.1	59.9	-167.9	-66.2	-72.9	0	0	0	113.3	L1046 K1050 H1051 L1054 L1058 L1060 F1065	L1046-F1048 HydrophobicContact CB-CE2 3.67Å; L1046-F1048 HydrophobicContact CB-CZ 4Å; L1046-F1048 HydrophobicContact CD1-CE2 4.49Å; L1046-F1048 HydrophobicContact CD1-CZ 4.36Å; F1048-K1050 VanDerWaalsContact C-N 3.26Å; F1048-K1050 PolarHBondContact O-N 2.54Å; F1048-K1050 VanDerWaalsContact O-N 3.1Å; F1048-H1051 HydrophobicContact CB-CB 4.03Å; F1048-H1051 WeakPolarHBondContact O-CB 3.32Å; F1048-H1051 PolarHBondContact O-N 3.2Å; F1048-H1051 VanDerWaalsContact O-N 3.14Å; F1048-L1054 HydrophobicContact CB-CB 4.43Å; F1048-L1054 HydrophobicContact CD2-CD1 4.3Å; F1048-L1058 HydrophobicContact CB-CD2 4.5Å; F1048-L1058 VanDerWaalsContact O-CD2 3.28Å; F1048-L1058 WeakPolarHBondContact O-CD2 3.41Å; F1048-L1060 HydrophobicContact CD2-CD1 4.07Å; F1048-L1060 HydrophobicContact CE2-CD1 3.81Å; F1048-F1065 HydrophobicContact CE2-CD2 4.47Å; F1048-F1065 HydrophobicContact CE2-CE2 4.25Å; F1048-F1065 HydrophobicContact CZ-CD2 4.42Å; F1048-F1065 AromaticContact CZ-CE2 3.86Å; F1048-F1065 HydrophobicContact CZ-CE2 3.86Å; F1048-F1065 HydrophobicContact CZ-CZ 4.22Å
1049	P	54.1	Low	56.2	Low	29 Å²	29	52.5 Å²	52.5	19%	0.188	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.2	-165.4	22.5	-32.5	0	0	0	114.6	Y1047	Y1047-P1049 HydrophobicContact CD1-CB 4.37Å; Y1047-P1049 HydrophobicContact CD1-CG 3.93Å; Y1047-P1049 HydrophobicContact CE1-CB 3.64Å; Y1047-P1049 HydrophobicContact CE1-CG 3.58Å; Y1047-P1049 WeakPolarHBondContact O-CD 3.31Å
1050	K	51.7	Low	56.2	Low	196 Å²	196	51.9 Å²	51.9	85%	0.852	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	6.2	-175.6	-59.6	-172	178.7	-173.9	0	114	F1048	F1048-K1050 VanDerWaalsContact C-N 3.26Å; F1048-K1050 PolarHBondContact O-N 2.54Å; F1048-K1050 VanDerWaalsContact O-N 3.1Å
1051	H	51.5	Low	56.2	Low	65 Å²	65	51.6 Å²	51.6	30%	0.301	25%	0.246	S	C	.	.			trans	-89.3	115.2	-171.3	-170.7	-89.2	0	0	0	113	F1048 Y1053 L1054 K1055	F1048-H1051 HydrophobicContact CB-CB 4.03Å; F1048-H1051 WeakPolarHBondContact O-CB 3.32Å; F1048-H1051 PolarHBondContact O-N 3.2Å; F1048-H1051 VanDerWaalsContact O-N 3.14Å; H1051-Y1053 PolarHBondContact ND1-N 2.94Å; H1051-Y1053 PolarHBondContact O-N 3.28Å; H1051-L1054 HydrophobicContact CB-CB 4.05Å; H1051-L1054 WeakPolarHBondContact ND1-CB 3.4Å; H1051-L1054 WeakPolarHBondContact ND1-CG 3.43Å; H1051-L1054 PolarHBondContact ND1-N 2.86Å; H1051-L1054 PolarHBondContact O-N 3.07Å; H1051-K1055 PolarHBondContact O-N 2.04Å; H1051-K1055 VanDerWaalsContact O-N 3.07Å
1052	K	44.3	Very low	56.5	Low	111 Å²	111	50.2 Å²	50.2	48%	0.483	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-34.6	-40.4	179.8	-165.1	179.3	-172.7	-178.4	0	115.3	D1224 E1227	K1052-D1224 IonicContact NZ-OD1 2.72Å; K1052-D1224 PolarHBondContact NZ-OD1 3.27Å; K1052-E1227 IonicContact NZ-OE1 2.77Å; K1052-E1227 PolarHBondContact NZ-OE1 3.05Å; K1052-E1227 IonicContact NZ-OE2 2.72Å; K1052-E1227 PolarHBondContact NZ-OE2 3.2Å
1053	Y	44.5	Very low	56.4	Low	94 Å²	94	49.9 Å²	49.9	37%	0.369	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-0.5	-176.6	-58.6	-62.1	0	0	0	115.6	H1051 D1224	H1051-Y1053 PolarHBondContact ND1-N 2.94Å; H1051-Y1053 PolarHBondContact O-N 3.28Å; Y1053-D1224 PolarHBondContact OH-OD1 3.06Å; Y1053-D1224 PolarHBondContact OH-OD2 2.89Å
1054	L	50.2	Low	56.5	Low	5 Å²	5	50.3 Å²	50.3	3%	0.026	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	3.2	-179.9	-66.3	171.8	0	0	0	113.2	F1048 H1051 D1056 Y1057 L1058	F1048-L1054 HydrophobicContact CB-CB 4.43Å; F1048-L1054 HydrophobicContact CD2-CD1 4.3Å; H1051-L1054 HydrophobicContact CB-CB 4.05Å; H1051-L1054 WeakPolarHBondContact ND1-CB 3.4Å; H1051-L1054 WeakPolarHBondContact ND1-CG 3.43Å; H1051-L1054 PolarHBondContact ND1-N 2.86Å; H1051-L1054 PolarHBondContact O-N 3.07Å; L1054-D1056 PolarHBondContact O-N 2.92Å; L1054-D1056 VanDerWaalsContact O-N 3.13Å; L1054-Y1057 CarbonylContact O-C 3.58Å; L1054-Y1057 PolarHBondContact O-N 2.8Å; L1054-L1058 WeakPolarHBondContact O-CD2 3.48Å; L1054-L1058 WeakPolarHBondContact O-CG 3.32Å
1055	K	49.1	Very low	56.5	Low	138 Å²	138	49.4 Å²	49.4	60%	0.6	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.6	178.7	-165.5	-179.6	178.2	-170.6	0	114.2	H1051 L1058	H1051-K1055 PolarHBondContact O-N 2.04Å; H1051-K1055 VanDerWaalsContact O-N 3.07Å; K1055-L1058 WeakPolarHBondContact O-CD1 3.4Å; K1055-L1058 VanDerWaalsContact O-CG 3.26Å; K1055-L1058 WeakPolarHBondContact O-CG 3.28Å
1056	D	45.9	Very low	56	Low	96 Å²	96	50.2 Å²	50.2	51%	0.513	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-12.2	176	-53.3	-25.1	0	0	0	112.6	K995 L996 L1054	K995-D1056 WeakPolarHBondContact CG-O 3.46Å; L996-D1056 PolarHBondContact N-O 3.42Å; L1054-D1056 PolarHBondContact O-N 2.92Å; L1054-D1056 VanDerWaalsContact O-N 3.13Å
1057	Y	52.3	Low	55.4	Low	47 Å²	47	53.3 Å²	53.3	18%	0.184	26%	0.255	C	S	.	.	S	Bend	trans	-125	53.1	-166.5	-62.5	-62.9	0	0	0	111.1	L1054 I1059 I1122 Q1125	L1054-Y1057 CarbonylContact O-C 3.58Å; L1054-Y1057 PolarHBondContact O-N 2.8Å; Y1057-I1059 PolarHBondContact O-N 2.88Å; Y1057-I1122 HydrophobicContact CD1-CD1 3.99Å; Y1057-I1122 HydrophobicContact CD1-CG1 4.22Å; Y1057-I1122 HydrophobicContact CE1-CD1 3.52Å; Y1057-I1122 HydrophobicContact CE1-CG1 3.71Å; Y1057-I1122 HydrophobicContact CE2-CG1 4.47Å; Y1057-Q1125 VanDerWaalsContact CE2-OE1 3.22Å
1058	L	62.3	Low	54.7	Low	9 Å²	9	54.6 Å²	54.6	5%	0.047	26%	0.262	C	S	.	.			trans	-85.7	-8.9	-150	-88.6	172.8	0	0	0	116.9	V994 L996 Y1047 F1048 L1054 K1055	V994-L1058 PolarHBondContact O-N 3.33Å; L996-L1058 HydrophobicContact CB-CB 4.27Å; L996-L1058 HydrophobicContact CB-CD1 4.4Å; L996-L1058 HydrophobicContact CD1-CB 3.58Å; L996-L1058 HydrophobicContact CD1-CD1 4.37Å; L996-L1058 HydrophobicContact CG-CB 4.44Å; Y1047-L1058 WeakPolarHBondContact CA-O 3.47Å; Y1047-L1058 HydrophobicContact CD2-CB 3.92Å; Y1047-L1058 HydrophobicContact CD2-CD2 4.12Å; Y1047-L1058 HydrophobicContact CD2-CG 4.46Å; Y1047-L1058 VanDerWaalsContact CD2-O 3.26Å; Y1047-L1058 WeakPolarHBondContact CD2-O 3.4Å; Y1047-L1058 HydrophobicContact CE2-CB 3.8Å; Y1047-L1058 HydrophobicContact CE2-CD1 3.81Å; Y1047-L1058 HydrophobicContact CE2-CD2 3.92Å; Y1047-L1058 HydrophobicContact CE2-CG 4.06Å; F1048-L1058 HydrophobicContact CB-CD2 4.5Å; F1048-L1058 VanDerWaalsContact O-CD2 3.28Å; F1048-L1058 WeakPolarHBondContact O-CD2 3.41Å; L1054-L1058 WeakPolarHBondContact O-CD2 3.48Å; L1054-L1058 WeakPolarHBondContact O-CG 3.32Å; K1055-L1058 WeakPolarHBondContact O-CD1 3.4Å; K1055-L1058 VanDerWaalsContact O-CG 3.26Å; K1055-L1058 WeakPolarHBondContact O-CG 3.28Å
1059	I	65.6	Low	54	Low	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.8	175.9	-46.6	-178.8	0	0	0	111.4	V984 L988 M993 V994 L996 L1019 L1036 F1045 L1046 Y1057	V984-I1059 HydrophobicContact CG1-CD1 4.2Å; V984-I1059 HydrophobicContact CG1-CG2 4.03Å; V984-I1059 HydrophobicContact CG2-CD1 4.33Å; L988-I1059 HydrophobicContact CD1-CG2 4.04Å; L988-I1059 HydrophobicContact CD2-CG2 4.46Å; M993-I1059 CarbonylContact C-O 3.52Å; M993-I1059 VanDerWaalsContact CA-O 3.27Å; M993-I1059 WeakPolarHBondContact CA-O 3.03Å; V994-I1059 HydrophobicContact CB-CB 4.13Å; V994-I1059 PolarHBondContact N-O 2.89Å; V994-I1059 PolarHBondContact O-N 3.36Å; L996-I1059 HydrophobicContact CD1-CD1 4.06Å; L996-I1059 HydrophobicContact CD1-CG1 3.81Å; L1019-I1059 HydrophobicContact CD1-CD1 4.27Å; L1036-I1059 HydrophobicContact CD2-CD1 3.72Å; L1036-I1059 HydrophobicContact CD2-CG1 4.35Å; F1045-I1059 HydrophobicContact CB-CG2 3.59Å; F1045-I1059 HydrophobicContact CD1-CG2 4.19Å; F1045-I1059 HydrophobicContact CD2-CG2 3.67Å; F1045-I1059 HydrophobicContact CE2-CG2 4.36Å; F1045-I1059 HydrophobicContact CG-CG2 3.57Å; L1046-I1059 WeakPolarHBondContact O-CA 3.23Å; Y1057-I1059 PolarHBondContact O-N 2.88Å
1060	L	64.5	Low	53.6	Low	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.4	179.3	-90.7	154.7	0	0	0	111.8	M993 L1046 F1048 F1065 L1126	M993-L1060 HydrophobicContact CE-CD2 4.16Å; M993-L1060 HydrophobicContact CE-CG 4.23Å; M993-L1060 HydrophobicContact CG-CD2 3.57Å; M993-L1060 HydrophobicContact CG-CG 4.15Å; M993-L1060 HydrophobicContact SD-CD2 4.05Å; L1046-L1060 HydrophobicContact CB-CB 4.15Å; L1046-L1060 PolarHBondContact N-O 3.06Å; L1046-L1060 PolarHBondContact O-N 3.46Å; F1048-L1060 HydrophobicContact CD2-CD1 4.07Å; F1048-L1060 HydrophobicContact CE2-CD1 3.81Å; L1060-F1065 HydrophobicContact CD1-CD2 4.47Å; L1060-L1126 HydrophobicContact CD1-CD2 4.27Å; L1060-L1126 HydrophobicContact CD2-CD2 4.26Å
1061	H	64.6	Low	53.2	Low	43 Å²	43	44.8 Å²	44.8	20%	0.199	22%	0.223	C	C	.	.			trans	-75.5	129.8	173.4	-168.7	-91.9	0	0	0	111.2	L988 F992 T1063 V1064 F1065	L988-H1061 HydrophobicContact CD2-CB 4.46Å; F992-H1061 PolarHBondContact O-N 2.92Å; H1061-T1063 PolarHBondContact CE1-OG1 3Å; H1061-T1063 PolarHBondContact ND1-OG1 3.13Å; H1061-T1063 PolarHBondContact O-N 2.87Å; H1061-V1064 HydrophobicContact CB-CB 4.34Å; H1061-V1064 HydrophobicContact CB-CG2 3.86Å; H1061-V1064 WeakPolarHBondContact O-CB 3.38Å; H1061-V1064 PolarHBondContact O-N 3.48Å; H1061-F1065 PolarHBondContact O-N 3.07Å
1062	P	58.7	Low	52.9	Low	17 Å²	17	42.3 Å²	42.3	11%	0.11	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-39.8	-168.1	-23.5	34.3	0	0	0	113.7	G1043 V1064 F1065 L1066	G1043-P1062 WeakPolarHBondContact O-CG 3.01Å; P1062-V1064 VanDerWaalsContact C-N 3.25Å; P1062-V1064 PolarHBondContact O-N 2.93Å; P1062-F1065 PolarHBondContact O-N 2.64Å; P1062-L1066 WeakPolarHBondContact O-CG 3.5Å; P1062-L1066 PolarHBondContact O-N 3.32Å
1063	T	54.1	Low	52.8	Low	40 Å²	40	38.3 Å²	38.3	25%	0.245	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-37.1	175.4	-38.3	0	0	0	0	112.4	L720 H1061 T1067	L720-T1063 HydrophobicContact CB-CG2 4.11Å; L720-T1063 HydrophobicContact CD1-CG2 4.45Å; H1061-T1063 PolarHBondContact CE1-OG1 3Å; H1061-T1063 PolarHBondContact ND1-OG1 3.13Å; H1061-T1063 PolarHBondContact O-N 2.87Å; T1063-T1067 VanDerWaalsContact O-CB 3.28Å; T1063-T1067 WeakPolarHBondContact O-CB 3.46Å; T1063-T1067 PolarHBondContact O-N 2.94Å; T1063-T1067 PolarHBondContact O-OG1 3.43Å
1064	V	55.9	Low	52.6	Low	30 Å²	30	35.1 Å²	35.1	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-72.4	-45.3	-175.9	179.4	0	0	0	0	109.2	F992 H1061 P1062 T1067 I1068	F992-V1064 HydrophobicContact CB-CG1 4.43Å; F992-V1064 HydrophobicContact CD1-CG1 4.03Å; F992-V1064 HydrophobicContact CD1-CG2 3.75Å; F992-V1064 HydrophobicContact CE1-CG2 4.49Å; H1061-V1064 HydrophobicContact CB-CB 4.34Å; H1061-V1064 HydrophobicContact CB-CG2 3.86Å; H1061-V1064 WeakPolarHBondContact O-CB 3.38Å; H1061-V1064 PolarHBondContact O-N 3.48Å; P1062-V1064 VanDerWaalsContact C-N 3.25Å; P1062-V1064 PolarHBondContact O-N 2.93Å; V1064-T1067 PolarHBondContact O-N 3.06Å; V1064-I1068 HydrophobicContact CG1-CD1 3.87Å; V1064-I1068 WeakPolarHBondContact O-CB 3.45Å; V1064-I1068 VanDerWaalsContact O-CG1 3.28Å; V1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; V1064-I1068 PolarHBondContact O-N 3.34Å
1065	F	59.8	Low	52.1	Low	30 Å²	30	37.2 Å²	37.2	13%	0.132	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-49.6	173.6	-179.3	-91.5	0	0	0	112	L1046 F1048 L1060 H1061 P1062 T1067 I1068 I1069 L1130	L1046-F1065 HydrophobicContact CD1-CB 3.57Å; L1046-F1065 HydrophobicContact CD1-CD1 3.54Å; L1046-F1065 HydrophobicContact CD1-CD2 3.96Å; L1046-F1065 HydrophobicContact CD1-CE1 4.18Å; L1046-F1065 HydrophobicContact CD1-CG 3.41Å; L1046-F1065 VanDerWaalsContact CD1-CG 3.41Å; F1048-F1065 HydrophobicContact CE2-CD2 4.47Å; F1048-F1065 HydrophobicContact CE2-CE2 4.25Å; F1048-F1065 HydrophobicContact CZ-CD2 4.42Å; F1048-F1065 AromaticContact CZ-CE2 3.86Å; F1048-F1065 HydrophobicContact CZ-CE2 3.86Å; F1048-F1065 HydrophobicContact CZ-CZ 4.22Å; L1060-F1065 HydrophobicContact CD1-CD2 4.47Å; H1061-F1065 PolarHBondContact O-N 3.07Å; P1062-F1065 PolarHBondContact O-N 2.64Å; F1065-T1067 PolarHBondContact O-N 3.23Å; F1065-I1068 PolarHBondContact O-N 3.02Å; F1065-I1069 HydrophobicContact CD1-CG1 4.34Å; F1065-I1069 HydrophobicContact CE1-CG1 4.08Å; F1065-I1069 HydrophobicContact CZ-CG1 4.27Å; F1065-I1069 WeakPolarHBondContact O-CB 3.27Å; F1065-I1069 WeakPolarHBondContact O-CG1 3.4Å; F1065-I1069 PolarHBondContact O-N 3.24Å; F1065-L1130 HydrophobicContact CD2-CD1 4.35Å; F1065-L1130 HydrophobicContact CD2-CD2 4.42Å; F1065-L1130 HydrophobicContact CE2-CD1 4.38Å; F1065-L1130 HydrophobicContact CE2-CD2 3.65Å; F1065-L1130 HydrophobicContact CZ-CD2 4.25Å
1066	L	53.1	Low	51.5	Low	19 Å²	19	38 Å²	38	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-35.8	178	-69.9	171.3	0	0	0	112.9	P718 I762 P1062 N1070	P718-L1066 HydrophobicContact CG-CB 4.25Å; I762-L1066 HydrophobicContact CG2-CD2 4.39Å; P1062-L1066 WeakPolarHBondContact O-CG 3.5Å; P1062-L1066 PolarHBondContact O-N 3.32Å; L1066-N1070 WeakPolarHBondContact O-CB 3.11Å; L1066-N1070 PolarHBondContact O-N 3.09Å
1067	T	50.5	Low	51.2	Low	92 Å²	92	37.6 Å²	37.6	56%	0.564	20%	0.202	S	C	*	.	H	α-helix	trans	-68.3	-43.8	175.9	-58.3	0	0	0	0	111.4	T1063 V1064 F1065 N1070 G1071	T1063-T1067 VanDerWaalsContact O-CB 3.28Å; T1063-T1067 WeakPolarHBondContact O-CB 3.46Å; T1063-T1067 PolarHBondContact O-N 2.94Å; T1063-T1067 PolarHBondContact O-OG1 3.43Å; V1064-T1067 PolarHBondContact O-N 3.06Å; F1065-T1067 PolarHBondContact O-N 3.23Å; T1067-N1070 PolarHBondContact O-N 3.31Å; T1067-G1071 PolarHBondContact O-N 3.32Å
1068	I	51.2	Low	50.2	Low	35 Å²	35	36.7 Å²	36.7	18%	0.179	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-49.8	175.4	-69.7	165.8	0	0	0	109.7	V1064 F1065 N1070 G1071 I1072 L1126 L1130	V1064-I1068 HydrophobicContact CG1-CD1 3.87Å; V1064-I1068 WeakPolarHBondContact O-CB 3.45Å; V1064-I1068 VanDerWaalsContact O-CG1 3.28Å; V1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; V1064-I1068 PolarHBondContact O-N 3.34Å; F1065-I1068 PolarHBondContact O-N 3.02Å; I1068-N1070 PolarHBondContact O-N 3.46Å; I1068-G1071 PolarHBondContact O-N 3.08Å; I1068-I1072 HydrophobicContact CG2-CD1 3.68Å; I1068-I1072 HydrophobicContact CG2-CG1 4.48Å; I1068-I1072 VanDerWaalsContact O-CB 3.31Å; I1068-I1072 WeakPolarHBondContact O-CB 3.23Å; I1068-I1072 VanDerWaalsContact O-CG1 3.26Å; I1068-I1072 WeakPolarHBondContact O-CG1 3.3Å; I1068-I1072 PolarHBondContact O-N 3.43Å; I1068-L1126 HydrophobicContact CD1-CD1 4.11Å; I1068-L1130 HydrophobicContact CG2-CD1 3.76Å
1069	I	50	Low	48.7	Very low	23 Å²	23	40.6 Å²	40.6	12%	0.118	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-44.7	177.4	-74.5	-70	0	0	0	111.9	I762 F1065 I1072 I1073 L1130	I762-I1069 HydrophobicContact CD1-CG2 3.69Å; F1065-I1069 HydrophobicContact CD1-CG1 4.34Å; F1065-I1069 HydrophobicContact CE1-CG1 4.08Å; F1065-I1069 HydrophobicContact CZ-CG1 4.27Å; F1065-I1069 WeakPolarHBondContact O-CB 3.27Å; F1065-I1069 WeakPolarHBondContact O-CG1 3.4Å; F1065-I1069 PolarHBondContact O-N 3.24Å; I1069-I1072 PolarHBondContact O-N 3Å; I1069-I1073 HydrophobicContact CG2-CD1 3.63Å; I1069-I1073 HydrophobicContact CG2-CG1 4.41Å; I1069-I1073 WeakPolarHBondContact O-CB 3.49Å; I1069-I1073 VanDerWaalsContact O-CG1 3.29Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.45Å; I1069-I1073 PolarHBondContact O-N 3.48Å; I1069-L1130 HydrophobicContact CD1-CB 4.06Å; I1069-L1130 HydrophobicContact CD1-CD2 4.14Å
1070	N	46.3	Very low	47	Very low	29 Å²	29	44 Å²	44	16%	0.155	25%	0.248	C	C	.	.	H	α-helix	trans	-71	-38.1	-179.8	-164.9	54.5	0	0	0	112.8	W716 L1066 T1067 I1068 I1072 I1073 N1074	W716-N1070 PolarHBondContact O-ND2 2.85Å; W716-N1070 PolarHBondContact O-OD1 3.21Å; L1066-N1070 WeakPolarHBondContact O-CB 3.11Å; L1066-N1070 PolarHBondContact O-N 3.09Å; T1067-N1070 PolarHBondContact O-N 3.31Å; I1068-N1070 PolarHBondContact O-N 3.46Å; N1070-I1072 PolarHBondContact O-N 3.36Å; N1070-I1073 PolarHBondContact O-N 2.97Å; N1070-N1074 PolarHBondContact O-N 3.5Å; N1070-N1074 PolarHBondContact OD1-ND2 2.88Å
1071	G	43.1	Very low	45.4	Very low	18 Å²	18	45.7 Å²	45.7	19%	0.186	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-25	173.4	0	0	0	0	0	113.4	T1067 I1068 I1078 Y1097	T1067-G1071 PolarHBondContact O-N 3.32Å; I1068-G1071 PolarHBondContact O-N 3.08Å; G1071-I1078 WeakPolarHBondContact O-CD1 3.37Å; G1071-Y1097 PolarHBondContact O-OH 2.89Å
1072	I	45.3	Very low	43.8	Very low	13 Å²	13	50.3 Å²	50.3	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-77.4	-45.5	170.4	-78.2	172.7	0	0	0	111.6	I1068 I1069 N1070 L1130 L1131 P1132 F1134	I1068-I1072 HydrophobicContact CG2-CD1 3.68Å; I1068-I1072 HydrophobicContact CG2-CG1 4.48Å; I1068-I1072 VanDerWaalsContact O-CB 3.31Å; I1068-I1072 WeakPolarHBondContact O-CB 3.23Å; I1068-I1072 VanDerWaalsContact O-CG1 3.26Å; I1068-I1072 WeakPolarHBondContact O-CG1 3.3Å; I1068-I1072 PolarHBondContact O-N 3.43Å; I1069-I1072 PolarHBondContact O-N 3Å; N1070-I1072 PolarHBondContact O-N 3.36Å; I1072-L1130 HydrophobicContact CD1-CB 3.93Å; I1072-L1131 HydrophobicContact CG1-CD2 4.35Å; I1072-L1131 HydrophobicContact CG2-CD2 4.12Å; I1072-P1132 HydrophobicContact CG2-CG 4.19Å; I1072-F1134 WeakPolarHBondContact O-CD2 3.45Å; I1072-F1134 WeakPolarHBondContact O-CE2 3.44Å
1073	I	41.4	Very low	42.6	Very low	27 Å²	27	59.9 Å²	59.9	14%	0.138	31%	0.314	C	S	.	.	H	α-helix	trans	-71.8	-28.1	-177.7	-68.7	172.3	0	0	0	112.2	W716 I1069 N1070 P1075 F1134	W716-I1073 HydrophobicContact CE3-CG2 3.94Å; W716-I1073 HydrophobicContact CH2-CG2 4.1Å; W716-I1073 HydrophobicContact CZ3-CG2 3.56Å; I1069-I1073 HydrophobicContact CG2-CD1 3.63Å; I1069-I1073 HydrophobicContact CG2-CG1 4.41Å; I1069-I1073 WeakPolarHBondContact O-CB 3.49Å; I1069-I1073 VanDerWaalsContact O-CG1 3.29Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.45Å; I1069-I1073 PolarHBondContact O-N 3.48Å; N1070-I1073 PolarHBondContact O-N 2.97Å; I1073-P1075 VanDerWaalsContact C-CD 3.46Å; I1073-P1075 WeakPolarHBondContact O-CD 3.27Å; I1073-F1134 WeakPolarHBondContact O-CZ 3.5Å
1074	N	41.5	Very low	41.6	Very low	27 Å²	27	64 Å²	64	14%	0.144	34%	0.335	C	S	.	.			trans	-123.1	68.1	-177.4	-72.4	-75.3	0	0	0	113.3	W716 N1070 Q1076 I1077	W716-N1074 WeakPolarHBondContact CB-ND2 3.49Å; W716-N1074 VanDerWaalsContact CG-ND2 3.27Å; N1070-N1074 PolarHBondContact O-N 3.5Å; N1070-N1074 PolarHBondContact OD1-ND2 2.88Å; N1074-Q1076 PolarHBondContact O-N 3.21Å; N1074-Q1076 VanDerWaalsContact O-N 3.11Å; N1074-I1077 HydrophobicContact CB-CD1 3.58Å; N1074-I1077 HydrophobicContact CB-CG1 3.99Å; N1074-I1077 WeakPolarHBondContact O-CB 3.46Å; N1074-I1077 PolarHBondContact O-N 3.23Å; N1074-I1077 VanDerWaalsContact O-N 3.09Å
1075	P	39.1	Very low	40.3	Very low	48 Å²	48	69.2 Å²	69.2	31%	0.312	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.7	-179.5	25.6	-34.6	0	0	0	113.8	I1073 I1077 I1078 F1134	I1073-P1075 VanDerWaalsContact C-CD 3.46Å; I1073-P1075 WeakPolarHBondContact O-CD 3.27Å; P1075-I1077 PolarHBondContact O-N 2.72Å; P1075-I1078 PolarHBondContact O-N 2.99Å; P1075-I1078 VanDerWaalsContact O-N 3.11Å; P1075-F1134 HydrophobicContact CG-CD1 3.9Å; P1075-F1134 HydrophobicContact CG-CE1 4.13Å; P1075-F1134 HydrophobicContact CG-CG 4.31Å
1076	Q	36.9	Very low	38.7	Very low	155 Å²	155	72.5 Å²	72.5	72%	0.724	39%	0.385	S	S	*	.	H	α-helix	trans	-65.9	-21.6	175.8	-64.6	-173.2	1	0	0	113.6	N1074 I1078 T1079	N1074-Q1076 PolarHBondContact O-N 3.21Å; N1074-Q1076 VanDerWaalsContact O-N 3.11Å; Q1076-I1078 PolarHBondContact O-N 3.43Å; Q1076-T1079 PolarHBondContact O-OG1 3.14Å
1077	I	38.1	Very low	37.6	Very low	88 Å²	88	79.1 Å²	79.1	45%	0.451	42%	0.421	S	S	.	.	H	α-helix	trans	-70.5	-19.1	175	-62.5	176.8	0	0	0	111.1	N1074 P1075	N1074-I1077 HydrophobicContact CB-CD1 3.58Å; N1074-I1077 HydrophobicContact CB-CG1 3.99Å; N1074-I1077 WeakPolarHBondContact O-CB 3.46Å; N1074-I1077 PolarHBondContact O-N 3.23Å; N1074-I1077 VanDerWaalsContact O-N 3.09Å; P1075-I1077 PolarHBondContact O-N 2.72Å
1078	I	33.1	Very low	36.7	Very low	28 Å²	28	77.7 Å²	77.7	14%	0.144	42%	0.415	C	S	.	.	H	α-helix	trans	-101.3	-24.8	-171.4	-67.2	138.6	0	0	0	112.6	G1071 P1075 Q1076 Y1097 L1098	G1071-I1078 WeakPolarHBondContact O-CD1 3.37Å; P1075-I1078 PolarHBondContact O-N 2.99Å; P1075-I1078 VanDerWaalsContact O-N 3.11Å; Q1076-I1078 PolarHBondContact O-N 3.43Å; I1078-Y1097 HydrophobicContact CD1-CE1 3.86Å; I1078-Y1097 HydrophobicContact CG1-CE1 4.36Å; I1078-Y1097 HydrophobicContact CG2-CD1 4.39Å; I1078-Y1097 HydrophobicContact CG2-CE1 4.34Å; I1078-L1098 HydrophobicContact CG2-CD2 3.72Å; I1078-L1098 HydrophobicContact CG2-CG 4.47Å
1079	T	29.2	Very low	35.8	Very low	91 Å²	91	83.7 Å²	83.7	56%	0.558	45%	0.447	S	S	*	.	H	α-helix	trans	-75.8	-30.1	-179.7	47.8	0	0	0	0	113.8	Q1076 A1081 Y1082	Q1076-T1079 PolarHBondContact O-OG1 3.14Å; T1079-A1081 VanDerWaalsContact C-N 3.34Å; T1079-Y1082 WeakPolarHBondContact O-CB 3.32Å; T1079-Y1082 PolarHBondContact O-N 2.83Å
1080	S	31.4	Very low	34.9	Very low	71 Å²	71	88 Å²	88	50%	0.497	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-66.3	-35	175.8	56.4	0	0	0	0	112.6	Y1082	S1080-Y1082 PolarHBondContact O-N 3.2Å
1081	A	30.7	Very low	34.5	Very low	36 Å²	36	87.9 Å²	87.9	30%	0.298	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-68.6	-11.4	177.2	0	0	0	0	0	114.1	T1079	T1079-A1081 VanDerWaalsContact C-N 3.34Å
1082	Y	30.6	Very low	34	Very low	139 Å²	139	93.4 Å²	93.4	55%	0.545	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-77.2	-27.4	-174.7	-156.5	-100	0	0	0	113.9	T1079 S1080 L1098	T1079-Y1082 WeakPolarHBondContact O-CB 3.32Å; T1079-Y1082 PolarHBondContact O-N 2.83Å; S1080-Y1082 PolarHBondContact O-N 3.2Å; Y1082-L1098 HydrophobicContact CD2-CB 4.46Å; Y1082-L1098 HydrophobicContact CD2-CD1 3.55Å; Y1082-L1098 HydrophobicContact CD2-CD2 3.67Å; Y1082-L1098 HydrophobicContact CD2-CG 4.08Å; Y1082-L1098 HydrophobicContact CE2-CB 4.04Å; Y1082-L1098 HydrophobicContact CE2-CD1 3.79Å; Y1082-L1098 HydrophobicContact CE2-CD2 4.04Å; Y1082-L1098 HydrophobicContact CE2-CG 4.16Å
1083	Y	33	Very low	33.5	Very low	218 Å²	218	100 Å²	100	86%	0.855	52%	0.516	S	S	*	.	S	Bend	trans	-87	-17.3	-170.1	-86.9	-86.4	0	0	0	115.1
1084	D	34	Very low	33.3	Very low	127 Å²	127	101.6 Å²	101.6	68%	0.679	52%	0.524	S	S	*	.	S	Bend	trans	-108.6	-9	-166.2	-120.9	-11.9	0	0	0	114.8
1085	M	27.7	Very low	33.1	Very low	139 Å²	139	108.3 Å²	108.3	69%	0.685	55%	0.548	S	S	*	.			trans	-107.4	70	-169.2	-66.3	-151.4	178.3	0	0	115.1
1086	S	26.7	Very low	33.1	Very low	99 Å²	99	109.7 Å²	109.7	69%	0.692	55%	0.547	S	S	*	.			trans	-79.9	144.2	152.6	71.2	0	0	0	0	110.4
1087	N	28.9	Very low	33.1	Very low	159 Å²	159	104.5 Å²	104.5	85%	0.85	52%	0.521	S	S	*	.	S	Bend	trans	65.9	74	174.2	-51.6	-48	0	0	0	118.6
1088	S	33.1	Very low	33	Very low	62 Å²	62	101.4 Å²	101.4	43%	0.434	51%	0.505	S	S	.	.			trans	-159.8	150.5	140.2	77.1	0	0	0	0	113.9	K1090 S1091	S1088-K1090 PolarHBondContact O-N 3.2Å; S1088-S1091 WeakPolarHBondContact O-CB 3.33Å; S1088-S1091 PolarHBondContact O-N 3.37Å; S1088-S1091 PolarHBondContact O-OG 3.47Å
1089	N	32.2	Very low	33.1	Very low	161 Å²	161	102.4 Å²	102.4	86%	0.861	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-73.5	-8.6	176.1	-74	-4	0	0	0	113.9	S1091	N1089-S1091 PolarHBondContact O-N 3.25Å
1090	K	30.8	Very low	33.5	Very low	113 Å²	113	101.5 Å²	101.5	49%	0.491	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-73.7	-7.8	172.1	-69.9	177.5	172.3	175.5	0	112.8	E693 H694 S1088 L1092	E693-K1090 IonicContact OE1-NZ 2.66Å; E693-K1090 PolarHBondContact OE1-NZ 3.29Å; E693-K1090 WeakPolarHBondContact OE2-CE 3.25Å; E693-K1090 IonicContact OE2-NZ 3.76Å; E693-K1090 PolarHBondContact OE2-NZ 3.47Å; H694-K1090 PolarHBondContact NE2-NZ 3.08Å; S1088-K1090 PolarHBondContact O-N 3.2Å; K1090-L1092 VanDerWaalsContact C-N 3.27Å; K1090-L1092 PolarHBondContact O-N 3.08Å
1091	S	37.9	Very low	33.6	Very low	26 Å²	26	101.9 Å²	101.9	18%	0.182	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-71.5	-7.4	-176	59	0	0	0	0	115.9	S1088 N1089 Y1093 L1094 R1095	S1088-S1091 WeakPolarHBondContact O-CB 3.33Å; S1088-S1091 PolarHBondContact O-N 3.37Å; S1088-S1091 PolarHBondContact O-OG 3.47Å; N1089-S1091 PolarHBondContact O-N 3.25Å; S1091-Y1093 PolarHBondContact O-N 2.81Å; S1091-L1094 PolarHBondContact O-N 3.47Å; S1091-R1095 VanDerWaalsContact O-CB 3.29Å; S1091-R1095 WeakPolarHBondContact O-CB 3.32Å; S1091-R1095 VanDerWaalsContact O-CG 3.3Å; S1091-R1095 WeakPolarHBondContact O-CG 3.5Å; S1091-R1095 PolarHBondContact O-N 3.13Å
1092	L	33.2	Very low	33.7	Very low	135 Å²	135	101.8 Å²	101.8	71%	0.707	51%	0.509	S	S	*	.	H	α-helix	trans	-58.2	-48.1	-175	-104.7	153	0	0	0	114	K1090 R1095 W1096	K1090-L1092 VanDerWaalsContact C-N 3.27Å; K1090-L1092 PolarHBondContact O-N 3.08Å; L1092-R1095 PolarHBondContact O-N 3.38Å; L1092-W1096 VanDerWaalsContact O-CB 3.28Å; L1092-W1096 WeakPolarHBondContact O-CB 3.38Å; L1092-W1096 PolarHBondContact O-N 3.47Å
1093	Y	34.8	Very low	33.6	Very low	152 Å²	152	98.5 Å²	98.5	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-67.4	-41.9	-176.9	-153	-86.7	0	0	0	111.8	S1091 W1096 Y1097	S1091-Y1093 PolarHBondContact O-N 2.81Å; Y1093-W1096 HydrophobicContact CE1-CZ3 4.2Å; Y1093-W1096 HydrophobicContact CE2-CZ3 4.39Å; Y1093-W1096 PolarHBondContact O-N 2.91Å; Y1093-Y1097 WeakPolarHBondContact O-CB 3.18Å; Y1093-Y1097 PolarHBondContact O-N 3.04Å
1094	L	37	Very low	33.4	Very low	59 Å²	59	96.9 Å²	96.9	31%	0.309	51%	0.511	S	S	.	.	H	α-helix	trans	-66.9	-45.9	174.9	-100.6	155.8	0	0	0	111.7	F695 S1091 W1096 Y1097 L1098	F695-L1094 HydrophobicContact CZ-CD1 4.47Å; S1091-L1094 PolarHBondContact O-N 3.47Å; L1094-W1096 VanDerWaalsContact C-N 3.29Å; L1094-W1096 PolarHBondContact O-N 3.47Å; L1094-Y1097 PolarHBondContact O-N 3.4Å; L1094-L1098 HydrophobicContact CB-CD1 4.42Å; L1094-L1098 HydrophobicContact CD2-CD1 4.05Å; L1094-L1098 VanDerWaalsContact O-CB 3.27Å; L1094-L1098 WeakPolarHBondContact O-CB 3.4Å; L1094-L1098 VanDerWaalsContact O-CD1 3.3Å; L1094-L1098 WeakPolarHBondContact O-CD1 3.43Å; L1094-L1098 VanDerWaalsContact O-CG 3.26Å; L1094-L1098 WeakPolarHBondContact O-CG 3.46Å; L1094-L1098 PolarHBondContact O-N 2.94Å
1095	R	36	Very low	33.1	Very low	168 Å²	168	96.5 Å²	96.5	63%	0.634	52%	0.519	S	S	*	.	H	α-helix	trans	-57.5	-41.8	175.1	-80.1	178.4	173.9	-167.6	-1	112.1	S1091 L1092 L1098 S1099	S1091-R1095 VanDerWaalsContact O-CB 3.29Å; S1091-R1095 WeakPolarHBondContact O-CB 3.32Å; S1091-R1095 VanDerWaalsContact O-CG 3.3Å; S1091-R1095 WeakPolarHBondContact O-CG 3.5Å; S1091-R1095 PolarHBondContact O-N 3.13Å; L1092-R1095 PolarHBondContact O-N 3.38Å; R1095-L1098 PolarHBondContact O-N 3.02Å; R1095-S1099 WeakPolarHBondContact O-CB 3.32Å; R1095-S1099 PolarHBondContact O-N 2.99Å; R1095-S1099 PolarHBondContact O-OG 2.88Å
1096	W	40.7	Very low	33.2	Very low	78 Å²	78	94.4 Å²	94.4	30%	0.295	51%	0.51	S	S	.	.	H	α-helix	trans	-67.4	-43	178.1	171.1	84.5	0	0	0	112.1	L1092 Y1093 L1094 L1098 S1099 A1100 P1123	L1092-W1096 VanDerWaalsContact O-CB 3.28Å; L1092-W1096 WeakPolarHBondContact O-CB 3.38Å; L1092-W1096 PolarHBondContact O-N 3.47Å; Y1093-W1096 HydrophobicContact CE1-CZ3 4.2Å; Y1093-W1096 HydrophobicContact CE2-CZ3 4.39Å; Y1093-W1096 PolarHBondContact O-N 2.91Å; L1094-W1096 VanDerWaalsContact C-N 3.29Å; L1094-W1096 PolarHBondContact O-N 3.47Å; W1096-L1098 VanDerWaalsContact C-N 3.35Å; W1096-L1098 PolarHBondContact O-N 3.07Å; W1096-S1099 PolarHBondContact O-N 3.29Å; W1096-A1100 WeakPolarHBondContact O-CB 3.21Å; W1096-A1100 PolarHBondContact O-N 2.92Å; W1096-P1123 HydrophobicContact CH2-CB 3.37Å; W1096-P1123 HydrophobicContact CH2-CG 3.56Å; W1096-P1123 HydrophobicContact CZ2-CB 3.72Å; W1096-P1123 HydrophobicContact CZ2-CG 3.81Å
1097	Y	36.8	Very low	33.4	Very low	46 Å²	46	96.7 Å²	96.7	18%	0.18	51%	0.51	C	S	.	.	H	α-helix	trans	-60.7	-42.1	171.7	-165.7	-93.2	0	0	0	112	G1071 I1078 Y1093 L1094 A1100 I1101	G1071-Y1097 PolarHBondContact O-OH 2.89Å; I1078-Y1097 HydrophobicContact CD1-CE1 3.86Å; I1078-Y1097 HydrophobicContact CG1-CE1 4.36Å; I1078-Y1097 HydrophobicContact CG2-CD1 4.39Å; I1078-Y1097 HydrophobicContact CG2-CE1 4.34Å; Y1093-Y1097 WeakPolarHBondContact O-CB 3.18Å; Y1093-Y1097 PolarHBondContact O-N 3.04Å; L1094-Y1097 PolarHBondContact O-N 3.4Å; Y1097-A1100 PolarHBondContact O-N 2.85Å; Y1097-I1101 HydrophobicContact CD1-CD1 3.62Å; Y1097-I1101 HydrophobicContact CE1-CD1 3.34Å; Y1097-I1101 HydrophobicContact CG-CD1 4.47Å; Y1097-I1101 WeakPolarHBondContact O-CG1 3.26Å; Y1097-I1101 PolarHBondContact O-N 2.64Å
1098	L	34.4	Very low	33.5	Very low	23 Å²	23	93.1 Å²	93.1	12%	0.12	50%	0.498	C	S	.	.	H	α-helix	trans	-73.7	-35.1	179.9	-74.6	157.5	0	0	0	112.9	I1078 Y1082 L1094 R1095 W1096 I1101 S1102	I1078-L1098 HydrophobicContact CG2-CD2 3.72Å; I1078-L1098 HydrophobicContact CG2-CG 4.47Å; Y1082-L1098 HydrophobicContact CD2-CB 4.46Å; Y1082-L1098 HydrophobicContact CD2-CD1 3.55Å; Y1082-L1098 HydrophobicContact CD2-CD2 3.67Å; Y1082-L1098 HydrophobicContact CD2-CG 4.08Å; Y1082-L1098 HydrophobicContact CE2-CB 4.04Å; Y1082-L1098 HydrophobicContact CE2-CD1 3.79Å; Y1082-L1098 HydrophobicContact CE2-CD2 4.04Å; Y1082-L1098 HydrophobicContact CE2-CG 4.16Å; L1094-L1098 HydrophobicContact CB-CD1 4.42Å; L1094-L1098 HydrophobicContact CD2-CD1 4.05Å; L1094-L1098 VanDerWaalsContact O-CB 3.27Å; L1094-L1098 WeakPolarHBondContact O-CB 3.4Å; L1094-L1098 VanDerWaalsContact O-CD1 3.3Å; L1094-L1098 WeakPolarHBondContact O-CD1 3.43Å; L1094-L1098 VanDerWaalsContact O-CG 3.26Å; L1094-L1098 WeakPolarHBondContact O-CG 3.46Å; L1094-L1098 PolarHBondContact O-N 2.94Å; R1095-L1098 PolarHBondContact O-N 3.02Å; W1096-L1098 VanDerWaalsContact C-N 3.35Å; W1096-L1098 PolarHBondContact O-N 3.07Å; L1098-I1101 PolarHBondContact O-N 2.81Å; L1098-S1102 WeakPolarHBondContact O-CB 3.28Å; L1098-S1102 PolarHBondContact O-N 3.06Å; L1098-S1102 PolarHBondContact O-OG 2.88Å
1099	S	35.9	Very low	33.5	Very low	48 Å²	48	93.1 Å²	93.1	34%	0.336	49%	0.492	S	S	.	.	H	α-helix	trans	-67.6	-36	171.3	-77.7	0	0	0	0	112.1	R1095 W1096 I1101 G1103	R1095-S1099 WeakPolarHBondContact O-CB 3.32Å; R1095-S1099 PolarHBondContact O-N 2.99Å; R1095-S1099 PolarHBondContact O-OG 2.88Å; W1096-S1099 PolarHBondContact O-N 3.29Å; S1099-I1101 VanDerWaalsContact C-N 3.29Å; S1099-I1101 PolarHBondContact O-N 3.36Å; S1099-G1103 PolarHBondContact O-N 3.09Å
1100	A	37.2	Very low	33.3	Very low	72 Å²	72	92.3 Å²	92.3	60%	0.595	48%	0.481	S	S	*	.	H	α-helix	trans	-66.6	-29.1	174.7	0	0	0	0	0	113.2	W1096 Y1097	W1096-A1100 WeakPolarHBondContact O-CB 3.21Å; W1096-A1100 PolarHBondContact O-N 2.92Å; Y1097-A1100 PolarHBondContact O-N 2.85Å
1101	I	33.5	Very low	33.2	Very low	80 Å²	80	95.1 Å²	95.1	41%	0.41	50%	0.496	S	S	.	.	H	α-helix	trans	-92	-36.1	-179.1	-68.7	171.2	0	0	0	112.8	Y1097 L1098 S1099	Y1097-I1101 HydrophobicContact CD1-CD1 3.62Å; Y1097-I1101 HydrophobicContact CE1-CD1 3.34Å; Y1097-I1101 HydrophobicContact CG-CD1 4.47Å; Y1097-I1101 WeakPolarHBondContact O-CG1 3.26Å; Y1097-I1101 PolarHBondContact O-N 2.64Å; L1098-I1101 PolarHBondContact O-N 2.81Å; S1099-I1101 VanDerWaalsContact C-N 3.29Å; S1099-I1101 PolarHBondContact O-N 3.36Å
1102	S	32.7	Very low	32.8	Very low	33 Å²	33	101.3 Å²	101.3	23%	0.231	52%	0.516	C	S	.	.	H	α-helix	trans	-93.9	-10.9	-169.1	66.8	0	0	0	0	115.6	L1098 Y1104	L1098-S1102 WeakPolarHBondContact O-CB 3.28Å; L1098-S1102 PolarHBondContact O-N 3.06Å; L1098-S1102 PolarHBondContact O-OG 2.88Å; S1102-Y1104 WeakPolarHBondContact O-CD2 3.45Å; S1102-Y1104 PolarHBondContact O-N 2.84Å; S1102-Y1104 VanDerWaalsContact O-N 3.1Å
1103	G	28.8	Very low	32.6	Very low	70 Å²	70	97.4 Å²	97.4	72%	0.722	49%	0.494	S	S	*	.			trans	67.6	5.9	175.7	0	0	0	0	0	116.1	S1099 S1105	S1099-G1103 PolarHBondContact O-N 3.09Å; G1103-S1105 PolarHBondContact O-N 3.22Å
1104	Y	29.6	Very low	32.3	Very low	184 Å²	184	95 Å²	95	72%	0.722	50%	0.499	S	S	*	.			trans	-67.1	117.7	-176.1	-88.4	-93.2	0	0	0	112.7	S1102 N1106	S1102-Y1104 WeakPolarHBondContact O-CD2 3.45Å; S1102-Y1104 PolarHBondContact O-N 2.84Å; S1102-Y1104 VanDerWaalsContact O-N 3.1Å; Y1104-N1106 PolarHBondContact O-N 2.99Å
1105	S	28.1	Very low	32	Very low	120 Å²	120	96.4 Å²	96.4	84%	0.839	51%	0.514	S	S	*	.			trans	-67	112.2	172.7	55.4	0	0	0	0	111.2	G1103	G1103-S1105 PolarHBondContact O-N 3.22Å
1106	N	29.5	Very low	31.7	Very low	95 Å²	95	94.6 Å²	94.6	51%	0.508	51%	0.507	S	S	.	.			trans	-124.5	115.8	170.9	-169.3	-14.7	0	0	0	109.1	Y1104 S1108 L1109	Y1104-N1106 PolarHBondContact O-N 2.99Å; N1106-S1108 VanDerWaalsContact CG-OG 3.3Å; N1106-S1108 PolarHBondContact O-N 3.01Å; N1106-S1108 PolarHBondContact OD1-N 3.47Å; N1106-S1108 PolarHBondContact OD1-OG 2.89Å; N1106-L1109 PolarHBondContact O-N 2.97Å
1107	E	31.2	Very low	31.3	Very low	146 Å²	146	94.6 Å²	94.6	68%	0.682	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-63.9	-28.6	-170.9	-59.1	-161.3	110.3	0	0	112.9	L1109 K1110	E1107-L1109 PolarHBondContact O-N 3.3Å; E1107-K1110 WeakPolarHBondContact O-CB 3.29Å; E1107-K1110 PolarHBondContact O-N 2.91Å; E1107-K1110 IonicContact OE1-NZ 3.13Å
1108	S	30.1	Very low	31.2	Very low	85 Å²	85	98.1 Å²	98.1	59%	0.594	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-62.8	-6	174.2	59.7	0	0	0	0	115.1	N1106	N1106-S1108 VanDerWaalsContact CG-OG 3.3Å; N1106-S1108 PolarHBondContact O-N 3.01Å; N1106-S1108 PolarHBondContact OD1-N 3.47Å; N1106-S1108 PolarHBondContact OD1-OG 2.89Å
1109	L	32.7	Very low	31.2	Very low	61 Å²	61	102.4 Å²	102.4	32%	0.319	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-100.7	-16.5	170.2	-69.7	172.9	0	0	0	113.9	N1106 E1107 E1111 Y1112 F1113	N1106-L1109 PolarHBondContact O-N 2.97Å; E1107-L1109 PolarHBondContact O-N 3.3Å; L1109-E1111 PolarHBondContact O-N 2.76Å; L1109-Y1112 PolarHBondContact O-N 2.95Å; L1109-F1113 HydrophobicContact CB-CD2 3.99Å; L1109-F1113 HydrophobicContact CB-CE2 3.96Å; L1109-F1113 HydrophobicContact CD1-CE2 4.35Å; L1109-F1113 HydrophobicContact CD2-CE2 4.12Å; L1109-F1113 HydrophobicContact CG-CE2 4.38Å; L1109-F1113 VanDerWaalsContact O-CD2 3.28Å; L1109-F1113 WeakPolarHBondContact O-CD2 3.25Å; L1109-F1113 PolarHBondContact O-N 3.27Å; L1109-F1113 VanDerWaalsContact O-N 3.07Å
1110	K	27.6	Very low	31.2	Very low	145 Å²	145	106.8 Å²	106.8	63%	0.63	56%	0.563	S	S	*	*	H	α-helix	trans	-63.5	-40.1	178.8	-81.6	179.2	176	168.6	0	112.2	E1107 Y1112 S1114	E1107-K1110 WeakPolarHBondContact O-CB 3.29Å; E1107-K1110 PolarHBondContact O-N 2.91Å; E1107-K1110 IonicContact OE1-NZ 3.13Å; K1110-Y1112 VanDerWaalsContact C-N 3.27Å; K1110-Y1112 PolarHBondContact O-N 2.99Å; K1110-S1114 WeakPolarHBondContact O-CB 3.46Å; K1110-S1114 PolarHBondContact O-N 3.37Å; K1110-S1114 PolarHBondContact O-OG 2.73Å
1111	E	28.9	Very low	31.4	Very low	172 Å²	172	104.5 Å²	104.5	80%	0.804	54%	0.543	S	S	*	.	H	α-helix	trans	-68.9	-22.4	177.9	-72.7	-170	126.7	0	0	113.7	L1109 S1114	L1109-E1111 PolarHBondContact O-N 2.76Å; E1111-S1114 PolarHBondContact O-OG 2.9Å; E1111-S1114 VanDerWaalsContact O-OG 3.07Å
1112	Y	29.4	Very low	31.6	Very low	155 Å²	155	102.3 Å²	102.3	61%	0.608	53%	0.532	S	S	*	.	H	α-helix	trans	-84.9	-46.3	177	-153.9	-98.2	0	0	0	111	L1109 K1110 S1115	L1109-Y1112 PolarHBondContact O-N 2.95Å; K1110-Y1112 VanDerWaalsContact C-N 3.27Å; K1110-Y1112 PolarHBondContact O-N 2.99Å; Y1112-S1115 PolarHBondContact O-OG 3.29Å
1113	F	30.2	Very low	31.8	Very low	54 Å²	54	102.8 Å²	102.8	24%	0.237	53%	0.534	C	S	.	.	H	α-helix	trans	-78.7	-14.9	-178.2	-67.4	-56	0	0	0	114.9	L1109 S1115 W1116	L1109-F1113 HydrophobicContact CB-CD2 3.99Å; L1109-F1113 HydrophobicContact CB-CE2 3.96Å; L1109-F1113 HydrophobicContact CD1-CE2 4.35Å; L1109-F1113 HydrophobicContact CD2-CE2 4.12Å; L1109-F1113 HydrophobicContact CG-CE2 4.38Å; L1109-F1113 VanDerWaalsContact O-CD2 3.28Å; L1109-F1113 WeakPolarHBondContact O-CD2 3.25Å; L1109-F1113 PolarHBondContact O-N 3.27Å; L1109-F1113 VanDerWaalsContact O-N 3.07Å; F1113-S1115 PolarHBondContact O-N 2.64Å; F1113-W1116 PolarHBondContact O-N 3Å
1114	S	28.5	Very low	32.4	Very low	100 Å²	100	104.9 Å²	104.9	70%	0.699	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.9	170.8	60.1	0	0	0	0	113.8	K1110 E1111	K1110-S1114 WeakPolarHBondContact O-CB 3.46Å; K1110-S1114 PolarHBondContact O-N 3.37Å; K1110-S1114 PolarHBondContact O-OG 2.73Å; E1111-S1114 PolarHBondContact O-OG 2.9Å; E1111-S1114 VanDerWaalsContact O-OG 3.07Å
1115	S	30.4	Very low	33	Very low	90 Å²	90	98.1 Å²	98.1	63%	0.629	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.6	175.8	70.1	0	0	0	0	114.6	Y1112 F1113	Y1112-S1115 PolarHBondContact O-OG 3.29Å; F1113-S1115 PolarHBondContact O-N 2.64Å
1116	W	29.5	Very low	33.6	Very low	129 Å²	129	93 Å²	93	49%	0.489	46%	0.459	S	S	.	.	S	Bend	trans	-113.6	115.8	-172.5	-80.7	29.9	0	0	0	111.3	F1113 H1118	F1113-W1116 PolarHBondContact O-N 3Å; W1116-H1118 PolarHBondContact O-N 3.06Å
1117	D	32.8	Very low	34.2	Very low	78 Å²	78	90.7 Å²	90.7	42%	0.417	45%	0.446	S	S	.	.			trans	-61.5	103.8	170.2	-176.6	-13.7	0	0	0	109.9	H1119 K1120	D1117-H1119 PolarHBondContact O-N 3Å; D1117-H1119 PolarHBondContact OD1-N 3.48Å; D1117-K1120 HydrophobicContact CB-CB 4.43Å; D1117-K1120 HydrophobicContact CB-CD 4.07Å; D1117-K1120 HydrophobicContact CB-CG 4.29Å; D1117-K1120 PolarHBondContact O-N 3.01Å; D1117-K1120 WeakPolarHBondContact OD2-CD 3.36Å; D1117-K1120 VanDerWaalsContact OD2-CE 3.26Å; D1117-K1120 WeakPolarHBondContact OD2-CE 3.28Å; D1117-K1120 IonicContact OD2-NZ 3.53Å; D1117-K1120 PolarHBondContact OD2-NZ 3.3Å
1118	H	35	Very low	34.6	Very low	121 Å²	121	87.9 Å²	87.9	56%	0.56	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-57.2	-21.9	-170.5	-77.5	-67.1	0	0	0	114	W1116	W1116-H1118 PolarHBondContact O-N 3.06Å
1119	H	34.3	Very low	35.1	Very low	112 Å²	112	85.5 Å²	85.5	52%	0.519	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-80.1	-16	177.2	-67.1	-71.6	0	0	0	114.1	D1117 Q1125	D1117-H1119 PolarHBondContact O-N 3Å; D1117-H1119 PolarHBondContact OD1-N 3.48Å; H1119-Q1125 PolarHBondContact O-NE2 3.26Å
1120	K	35.9	Very low	35.2	Very low	141 Å²	141	83.7 Å²	83.7	61%	0.613	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-98.1	0.4	-176.1	-66.4	-179.3	177.2	130.4	0	114.8	D1117 I1122	D1117-K1120 HydrophobicContact CB-CB 4.43Å; D1117-K1120 HydrophobicContact CB-CD 4.07Å; D1117-K1120 HydrophobicContact CB-CG 4.29Å; D1117-K1120 PolarHBondContact O-N 3.01Å; D1117-K1120 WeakPolarHBondContact OD2-CD 3.36Å; D1117-K1120 VanDerWaalsContact OD2-CE 3.26Å; D1117-K1120 WeakPolarHBondContact OD2-CE 3.28Å; D1117-K1120 IonicContact OD2-NZ 3.53Å; D1117-K1120 PolarHBondContact OD2-NZ 3.3Å; K1120-I1122 PolarHBondContact O-N 2.98Å; K1120-I1122 VanDerWaalsContact O-N 3.12Å
1121	S	39.9	Very low	35.5	Very low	24 Å²	24	80.2 Å²	80.2	17%	0.168	39%	0.391	C	S	.	.			trans	-71.1	104	178.7	173.2	0	0	0	0	110.9	P1123 Y1124 Q1125	S1121-P1123 VanDerWaalsContact C-CD 3.5Å; S1121-P1123 VanDerWaalsContact C-N 3.3Å; S1121-Y1124 WeakPolarHBondContact O-CA 3.35Å; S1121-Y1124 WeakPolarHBondContact O-CB 3.4Å; S1121-Y1124 PolarHBondContact O-N 3.14Å; S1121-Y1124 PolarHBondContact OG-N 3.14Å; S1121-Q1125 PolarHBondContact O-N 2.76Å
1122	I	38.1	Very low	35.5	Very low	34 Å²	34	73.6 Å²	73.6	17%	0.174	36%	0.363	C	S	.	.	H	α-helix	trans	-50.3	-42.4	178.4	-65.5	168.7	0	0	0	112.5	M993 Y1057 K1120 Q1125 L1126	M993-I1122 HydrophobicContact CE-CG2 3.8Å; M993-I1122 HydrophobicContact SD-CG2 3.4Å; M993-I1122 WeakPolarHBondContact SD-CG2 3.26Å; Y1057-I1122 HydrophobicContact CD1-CD1 3.99Å; Y1057-I1122 HydrophobicContact CD1-CG1 4.22Å; Y1057-I1122 HydrophobicContact CE1-CD1 3.52Å; Y1057-I1122 HydrophobicContact CE1-CG1 3.71Å; Y1057-I1122 HydrophobicContact CE2-CG1 4.47Å; K1120-I1122 PolarHBondContact O-N 2.98Å; K1120-I1122 VanDerWaalsContact O-N 3.12Å; I1122-Q1125 PolarHBondContact O-N 3.4Å; I1122-L1126 PolarHBondContact O-N 3.06Å
1123	P	37.5	Very low	35.5	Very low	43 Å²	43	67.8 Å²	67.8	28%	0.279	34%	0.344	S	S	.	.	H	α-helix	trans	-68.9	-32.6	175.5	-22.8	36.4	0	0	0	114.1	W1096 S1121 Q1125 L1126 I1127	W1096-P1123 HydrophobicContact CH2-CB 3.37Å; W1096-P1123 HydrophobicContact CH2-CG 3.56Å; W1096-P1123 HydrophobicContact CZ2-CB 3.72Å; W1096-P1123 HydrophobicContact CZ2-CG 3.81Å; S1121-P1123 VanDerWaalsContact C-CD 3.5Å; S1121-P1123 VanDerWaalsContact C-N 3.3Å; P1123-Q1125 VanDerWaalsContact C-N 3.34Å; P1123-L1126 PolarHBondContact O-N 3.36Å; P1123-I1127 WeakPolarHBondContact O-CB 3.28Å; P1123-I1127 WeakPolarHBondContact O-CD1 3.49Å; P1123-I1127 WeakPolarHBondContact O-CG1 3.28Å; P1123-I1127 PolarHBondContact O-N 3.04Å
1124	Y	41.3	Very low	35.4	Very low	113 Å²	113	70 Å²	70	44%	0.443	35%	0.354	S	S	.	.	H	α-helix	trans	-66.8	-38.8	172	178.7	-100.6	0	0	0	110.8	S1121 I1127 R1128	S1121-Y1124 WeakPolarHBondContact O-CA 3.35Å; S1121-Y1124 WeakPolarHBondContact O-CB 3.4Å; S1121-Y1124 PolarHBondContact O-N 3.14Å; S1121-Y1124 PolarHBondContact OG-N 3.14Å; Y1124-I1127 PolarHBondContact O-N 3.46Å; Y1124-R1128 WeakPolarHBondContact O-CB 3.43Å; Y1124-R1128 PolarHBondContact O-N 2.98Å
1125	Q	41.8	Very low	35.2	Very low	42 Å²	42	67 Å²	67	20%	0.196	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-46.9	173.1	-66.1	178.8	-0.9	0	0	111.4	Y1057 H1119 S1121 I1122 P1123 I1127 R1128 C1129	Y1057-Q1125 VanDerWaalsContact CE2-OE1 3.22Å; H1119-Q1125 PolarHBondContact O-NE2 3.26Å; S1121-Q1125 PolarHBondContact O-N 2.76Å; I1122-Q1125 PolarHBondContact O-N 3.4Å; P1123-Q1125 VanDerWaalsContact C-N 3.34Å; Q1125-I1127 PolarHBondContact O-N 2.8Å; Q1125-R1128 CarbonylContact O-C 3.52Å; Q1125-R1128 PolarHBondContact O-N 2.78Å; Q1125-C1129 WeakPolarHBondContact O-CB 3.22Å; Q1125-C1129 PolarHBondContact O-N 2.94Å; Q1125-C1129 PolarHBondContact O-SG 3.45Å
1126	L	41.4	Very low	35	Very low	13 Å²	13	70.5 Å²	70.5	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-55.4	-51.9	172.3	-87.4	170.4	0	0	0	112	M993 L1060 I1068 I1122 P1123 R1128 C1129 L1130	M993-L1126 HydrophobicContact CE-CD1 4.31Å; M993-L1126 HydrophobicContact CE-CG 4.39Å; M993-L1126 HydrophobicContact SD-CD1 3.52Å; M993-L1126 VanDerWaalsContact SD-CD1 3.52Å; M993-L1126 HydrophobicContact SD-CG 4.22Å; L1060-L1126 HydrophobicContact CD1-CD2 4.27Å; L1060-L1126 HydrophobicContact CD2-CD2 4.26Å; I1068-L1126 HydrophobicContact CD1-CD1 4.11Å; I1122-L1126 PolarHBondContact O-N 3.06Å; P1123-L1126 PolarHBondContact O-N 3.36Å; L1126-R1128 VanDerWaalsContact C-N 3.31Å; L1126-R1128 PolarHBondContact O-N 3.38Å; L1126-C1129 CarbonylContact O-C 3.6Å; L1126-C1129 PolarHBondContact O-N 2.85Å; L1126-C1129 VanDerWaalsContact O-N 3.11Å; L1126-L1130 HydrophobicContact CB-CD1 4.46Å; L1126-L1130 HydrophobicContact CD2-CD1 3.7Å; L1126-L1130 VanDerWaalsContact O-CB 3.25Å; L1126-L1130 WeakPolarHBondContact O-CB 3.25Å; L1126-L1130 WeakPolarHBondContact O-CG 3.18Å; L1126-L1130 PolarHBondContact O-N 2.88Å
1127	I	41.9	Very low	34.7	Very low	46 Å²	46	75.2 Å²	75.2	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-59.4	-43.6	179	-72.9	167	0	0	0	110.3	P1123 Y1124 Q1125 C1129 L1130 L1131	P1123-I1127 WeakPolarHBondContact O-CB 3.28Å; P1123-I1127 WeakPolarHBondContact O-CD1 3.49Å; P1123-I1127 WeakPolarHBondContact O-CG1 3.28Å; P1123-I1127 PolarHBondContact O-N 3.04Å; Y1124-I1127 PolarHBondContact O-N 3.46Å; Q1125-I1127 PolarHBondContact O-N 2.8Å; I1127-C1129 VanDerWaalsContact C-N 3.29Å; I1127-C1129 PolarHBondContact O-N 3.31Å; I1127-L1130 PolarHBondContact O-N 3.03Å; I1127-L1131 HydrophobicContact CG2-CD1 3.46Å; I1127-L1131 VanDerWaalsContact CG2-CD1 3.46Å; I1127-L1131 HydrophobicContact CG2-CG 3.87Å; I1127-L1131 VanDerWaalsContact O-CB 3.27Å; I1127-L1131 WeakPolarHBondContact O-CB 3.46Å; I1127-L1131 WeakPolarHBondContact O-CG 3.39Å; I1127-L1131 PolarHBondContact O-N 3.45Å
1128	R	39.7	Very low	34.3	Very low	87 Å²	87	76 Å²	76	33%	0.328	37%	0.368	S	S	.	.	H	α-helix	trans	-68.2	-22.4	177.5	-166.9	174.1	-178.9	-161.4	-2.8	114	Y1124 Q1125 L1126 L1221	Y1124-R1128 WeakPolarHBondContact O-CB 3.43Å; Y1124-R1128 PolarHBondContact O-N 2.98Å; Q1125-R1128 CarbonylContact O-C 3.52Å; Q1125-R1128 PolarHBondContact O-N 2.78Å; L1126-R1128 VanDerWaalsContact C-N 3.31Å; L1126-R1128 PolarHBondContact O-N 3.38Å; R1128-L1221 HydrophobicContact CG-CD1 4.26Å
1129	C	39.4	Very low	33.7	Very low	35 Å²	35	76.5 Å²	76.5	24%	0.236	38%	0.384	C	S	.	.	H	α-helix	trans	-94.9	-15.5	175.5	-61.1	0	0	0	0	114.1	Q1125 L1126 I1127	Q1125-C1129 WeakPolarHBondContact O-CB 3.22Å; Q1125-C1129 PolarHBondContact O-N 2.94Å; Q1125-C1129 PolarHBondContact O-SG 3.45Å; L1126-C1129 CarbonylContact O-C 3.6Å; L1126-C1129 PolarHBondContact O-N 2.85Å; L1126-C1129 VanDerWaalsContact O-N 3.11Å; I1127-C1129 VanDerWaalsContact C-N 3.29Å; I1127-C1129 PolarHBondContact O-N 3.31Å
1130	L	36.1	Very low	33.2	Very low	23 Å²	23	80.4 Å²	80.4	12%	0.12	40%	0.399	C	S	.	.	H	α-helix	trans	-119.4	-6.6	-172.1	-59.9	177.1	0	0	0	114.2	F1065 I1068 I1069 I1072 L1126 I1127 P1132	F1065-L1130 HydrophobicContact CD2-CD1 4.35Å; F1065-L1130 HydrophobicContact CD2-CD2 4.42Å; F1065-L1130 HydrophobicContact CE2-CD1 4.38Å; F1065-L1130 HydrophobicContact CE2-CD2 3.65Å; F1065-L1130 HydrophobicContact CZ-CD2 4.25Å; I1068-L1130 HydrophobicContact CG2-CD1 3.76Å; I1069-L1130 HydrophobicContact CD1-CB 4.06Å; I1069-L1130 HydrophobicContact CD1-CD2 4.14Å; I1072-L1130 HydrophobicContact CD1-CB 3.93Å; L1126-L1130 HydrophobicContact CB-CD1 4.46Å; L1126-L1130 HydrophobicContact CD2-CD1 3.7Å; L1126-L1130 VanDerWaalsContact O-CB 3.25Å; L1126-L1130 WeakPolarHBondContact O-CB 3.25Å; L1126-L1130 WeakPolarHBondContact O-CG 3.18Å; L1126-L1130 PolarHBondContact O-N 2.88Å; I1127-L1130 PolarHBondContact O-N 3.03Å; L1130-P1132 VanDerWaalsContact O-CD 3.28Å; L1130-P1132 WeakPolarHBondContact O-CD 3.4Å
1131	L	33.4	Very low	32.6	Very low	73 Å²	73	78.2 Å²	78.2	38%	0.382	40%	0.402	S	S	.	.			trans	-73.4	121.1	174.2	-88.1	170.1	0	0	0	112.4	I1072 I1127 F1230	I1072-L1131 HydrophobicContact CG1-CD2 4.35Å; I1072-L1131 HydrophobicContact CG2-CD2 4.12Å; I1127-L1131 HydrophobicContact CG2-CD1 3.46Å; I1127-L1131 VanDerWaalsContact CG2-CD1 3.46Å; I1127-L1131 HydrophobicContact CG2-CG 3.87Å; I1127-L1131 VanDerWaalsContact O-CB 3.27Å; I1127-L1131 WeakPolarHBondContact O-CB 3.46Å; I1127-L1131 WeakPolarHBondContact O-CG 3.39Å; I1127-L1131 PolarHBondContact O-N 3.45Å; L1131-F1230 WeakPolarHBondContact O-CZ 3.43Å
1132	P	28.4	Very low	31.8	Very low	33 Å²	33	84.9 Å²	84.9	21%	0.214	43%	0.434	C	S	.	.			trans	-61.5	140.4	136	-9.9	28.5	0	0	0	109.1	I1072 L1130 F1134 F1230	I1072-P1132 HydrophobicContact CG2-CG 4.19Å; L1130-P1132 VanDerWaalsContact O-CD 3.28Å; L1130-P1132 WeakPolarHBondContact O-CD 3.4Å; P1132-F1134 HydrophobicContact CB-CD2 4.32Å; P1132-F1134 HydrophobicContact CB-CE2 4.17Å; P1132-F1134 HydrophobicContact CG-CE2 4.2Å; P1132-F1134 PolarHBondContact O-N 3.2Å; P1132-F1230 HydrophobicContact CB-CE1 3.78Å; P1132-F1230 HydrophobicContact CB-CZ 4.24Å; P1132-F1230 HydrophobicContact CG-CE1 4.38Å
1133	P	29.7	Very low	31	Very low	33 Å²	33	88.9 Å²	88.9	21%	0.214	46%	0.462	C	S	.	.			trans	-69.2	94.5	171.2	28.5	-33	0	0	0	109.5	G1135 F1230 L1235	P1133-G1135 VanDerWaalsContact C-N 3.34Å; P1133-G1135 PolarHBondContact O-N 3.37Å; P1133-F1230 HydrophobicContact CG-CG 4.48Å; P1133-L1235 HydrophobicContact CB-CD2 3.9Å; P1133-L1235 HydrophobicContact CG-CD2 3.82Å; P1133-L1235 HydrophobicContact CG-CG 4.14Å
1134	F	27.8	Very low	30.3	Very low	101 Å²	101	92 Å²	92	44%	0.443	49%	0.485	S	S	.	.			trans	-70.5	92	168.5	-90	-90.3	0	0	0	109.6	I1072 I1073 P1075 P1132 Y1136	I1072-F1134 WeakPolarHBondContact O-CD2 3.45Å; I1072-F1134 WeakPolarHBondContact O-CE2 3.44Å; I1073-F1134 WeakPolarHBondContact O-CZ 3.5Å; P1075-F1134 HydrophobicContact CG-CD1 3.9Å; P1075-F1134 HydrophobicContact CG-CE1 4.13Å; P1075-F1134 HydrophobicContact CG-CG 4.31Å; P1132-F1134 HydrophobicContact CB-CD2 4.32Å; P1132-F1134 HydrophobicContact CB-CE2 4.17Å; P1132-F1134 HydrophobicContact CG-CE2 4.2Å; P1132-F1134 PolarHBondContact O-N 3.2Å; F1134-Y1136 PolarHBondContact O-N 2.9Å
1135	G	26	Very low	29.5	Very low	36 Å²	36	92.9 Å²	92.9	37%	0.371	50%	0.497	S	S	.	.			trans	-57.5	118.5	172.4	0	0	0	0	0	111	P1133 R1137 L1237	P1133-G1135 VanDerWaalsContact C-N 3.34Å; P1133-G1135 PolarHBondContact O-N 3.37Å; G1135-R1137 PolarHBondContact O-N 3.45Å; G1135-L1237 WeakPolarHBondContact O-CD1 3.48Å
1136	Y	25.1	Very low	28.7	Very low	163 Å²	163	99.6 Å²	99.6	64%	0.639	53%	0.526	S	S	*	.			trans	-60	92.7	174.4	-110	-98.3	0	0	0	110.5	F1134 S1138	F1134-Y1136 PolarHBondContact O-N 2.9Å; Y1136-S1138 VanDerWaalsContact C-N 3.33Å; Y1136-S1138 PolarHBondContact O-N 3.31Å
1137	R	23.5	Very low	28	Very low	228 Å²	228	105 Å²	105	86%	0.86	56%	0.562	S	S	*	*			trans	-67.3	98	164.8	-87.4	-164.5	177.5	-165.8	1.9	107.7	G1135 C1139 L1237	G1135-R1137 PolarHBondContact O-N 3.45Å; R1137-C1139 PolarHBondContact O-N 2.98Å; R1137-L1237 HydrophobicContact CG-CD1 3.9Å
1138	S	24.4	Very low	27.3	Very low	94 Å²	94	111.2 Å²	111.2	66%	0.657	59%	0.589	S	S	*	*			trans	-57.3	133.8	174	49.9	0	0	0	0	110.4	Y1136 K1140	Y1136-S1138 VanDerWaalsContact C-N 3.33Å; Y1136-S1138 PolarHBondContact O-N 3.31Å; S1138-K1140 PolarHBondContact O-N 2.7Å
1139	C	23.1	Very low	26.6	Very low	132 Å²	132	115.1 Å²	115.1	89%	0.892	61%	0.611	S	S	*	*			trans	-63.2	108.6	172.8	-66.1	0	0	0	0	108.7	R1137 S1141	R1137-C1139 PolarHBondContact O-N 2.98Å; C1139-S1141 VanDerWaalsContact C-N 3.32Å; C1139-S1141 PolarHBondContact O-N 3.39Å
1140	K	22.8	Very low	25.8	Very low	194 Å²	194	121.6 Å²	121.6	84%	0.843	64%	0.638	S	S	*	*			trans	-65.1	93.9	171.7	-86.7	-168.4	172.7	-175.9	0	109.9	S1138 I1142	S1138-K1140 PolarHBondContact O-N 2.7Å; K1140-I1142 PolarHBondContact O-N 3.32Å
1141	S	23.7	Very low	25.4	Very low	95 Å²	95	128.4 Å²	128.4	66%	0.664	67%	0.673	S	S	*	*			trans	36.3	85.1	147.4	59.9	0	0	0	0	115.8	C1139 P1143	C1139-S1141 VanDerWaalsContact C-N 3.32Å; C1139-S1141 PolarHBondContact O-N 3.39Å; S1141-P1143 VanDerWaalsContact O-CD 3.31Å; S1141-P1143 WeakPolarHBondContact O-CD 3.31Å
1142	I	22.2	Very low	24.9	Very low	164 Å²	164	132.4 Å²	132.4	84%	0.841	69%	0.693	S	S	*	*			trans	-63	121.3	151	-62.1	175.7	0	0	0	106.3	K1140 S1144	K1140-I1142 PolarHBondContact O-N 3.32Å; I1142-S1144 PolarHBondContact O-N 2.9Å
1143	P	22.8	Very low	24.8	Very low	118 Å²	118	138.5 Å²	138.5	77%	0.766	72%	0.719	S	S	*	*			trans	-65.9	125.6	-178.3	-21.9	34.4	0	0	0	111.4	S1141 N1145	S1141-P1143 VanDerWaalsContact O-CD 3.31Å; S1141-P1143 WeakPolarHBondContact O-CD 3.31Å; P1143-N1145 PolarHBondContact O-N 3.43Å
1144	S	22.7	Very low	24.4	Very low	110 Å²	110	143 Å²	143	77%	0.769	74%	0.737	S	S	*	*			trans	-82.7	90.7	-179.1	54.2	0	0	0	0	112.1	I1142	I1142-S1144 PolarHBondContact O-N 2.9Å
1145	N	23.9	Very low	24.2	Very low	130 Å²	130	147.3 Å²	147.3	70%	0.695	75%	0.75	S	S	*	*			trans	-170.1	124.9	149.2	-100.9	-47.3	0	0	0	114	P1143	P1143-N1145 PolarHBondContact O-N 3.43Å
1146	K	24.6	Very low	24.1	Very low	184 Å²	184	155.9 Å²	155.9	80%	0.8	77%	0.771	S	S	*	*			trans	31.3	151.4	131.3	-61.6	176.7	-174.2	175	0	121.4
1147	P	27.4	Very low	24.2	Very low	126 Å²	126	156.2 Å²	156.2	82%	0.818	78%	0.783	S	S	*	*			cis	-135	-157.3	-18.9	40.1	-20.3	0	0	0	112.6
1148	H	27.7	Very low	24.3	Very low	176 Å²	176	152.1 Å²	152.1	82%	0.815	78%	0.777	S	S	*	*			trans	-70.3	161.7	173.9	-105.9	-13.4	0	0	0	114.8
1149	Q	23.9	Very low	24.7	Very low	169 Å²	169	152.9 Å²	152.9	79%	0.79	78%	0.78	S	S	*	*			trans	80.4	146.6	160.7	-70.9	-178.6	6.6	0	0	120.2
1150	Q	23.7	Very low	24.8	Very low	172 Å²	172	151 Å²	151	80%	0.804	77%	0.769	S	S	*	*			trans	66.5	99	168.4	-60.5	178.9	27	0	0	118.2
1151	I	25.8	Very low	24.9	Very low	165 Å²	165	151.3 Å²	151.3	85%	0.846	77%	0.77	S	S	*	*				-145.1	119.4	112.8	-97.9	153.1	0	0	0	108.7
1152	I	24.5	Very low	24.8	Very low	157 Å²	157	156.2 Å²	156.2	81%	0.805	78%	0.782	S	S	*	*			trans	-103.4	115.1	163.8	-68	168.5	0	0	0	105.9
1153	Q	25.2	Very low	25	Very low	162 Å²	162	154.3 Å²	154.3	76%	0.757	77%	0.774	S	S	*	*			trans	169.8	151	161.3	-99.9	162.4	80.5	0	0	108.6
1154	Q	22.7	Very low	25.3	Very low	127 Å²	127	155.4 Å²	155.4	59%	0.593	77%	0.768	S	S	*	*			cis	-173.1	152.9	-28.1	-125.4	-173.8	55.9	0	0	106.7
1155	R	22.9	Very low	25.4	Very low	192 Å²	192	156.9 Å²	156.9	73%	0.725	76%	0.763	S	S	*	*			trans	75.1	113.2	165.7	-58.6	155.6	-165.2	-129	-2.1	114.3
1156	R	23	Very low	25.4	Very low	216 Å²	216	157.1 Å²	157.1	82%	0.815	76%	0.764	S	S	*	*				77.8	135.6	82.1	-72.8	170.5	-172.8	-177.5	0.8	111.1
1157	L	27.4	Very low	25.4	Very low	170 Å²	170	155 Å²	155	89%	0.89	76%	0.761	S	S	*	*			cis	-127.3	153.6	36.8	-74.4	159.2	0	0	0	116.5
1158	L	26.7	Very low	25.5	Very low	141 Å²	141	155.1 Å²	155.1	74%	0.738	76%	0.759	S	S	*	*			trans	-92	-175.2	166.1	-82.8	151.2	0	0	0	109.2
1159	P	31.2	Very low	25.6	Very low	110 Å²	110	152.1 Å²	152.1	71%	0.714	76%	0.755	S	S	*	*			cis	-121.8	150.7	-1.5	16.9	8	0	0	0	113.3
1160	S	25.6	Very low	25.7	Very low	93 Å²	93	148.3 Å²	148.3	65%	0.65	75%	0.747	S	S	*	*				72.3	119.5	56.2	94.3	0	0	0	0	116.2
1161	K	25.2	Very low	26	Very low	200 Å²	200	147.8 Å²	147.8	87%	0.87	74%	0.744	S	S	*	*			trans	-178	99.6	139.1	-103.5	170.8	-176.6	179.4	0	112.6
1162	Q	22.1	Very low	26	Very low	198 Å²	198	146.8 Å²	146.8	93%	0.925	74%	0.736	S	S	*	*			trans	-124.7	145.2	136.6	-79.1	-169.5	-6.9	0	0	106.5
1163	N	25.2	Very low	26	Very low	124 Å²	124	146.6 Å²	146.6	66%	0.663	73%	0.731	S	S	*	*			trans	-151.2	142.1	-171	-135.9	28.4	0	0	0	109.7
1164	H	29.3	Very low	25.9	Very low	141 Å²	141	144 Å²	144	65%	0.653	73%	0.727	S	S	*	*			trans	70.3	142.8	169	-46.2	-53.6	0	0	0	116
1165	H	26.3	Very low	26	Very low	142 Å²	142	143.2 Å²	143.2	66%	0.657	74%	0.735	S	S	*	*			cis	-171	149.9	-16.8	-116.8	-41.8	0	0	0	110.5
1166	L	23.9	Very low	26	Very low	135 Å²	135	144.2 Å²	144.2	71%	0.707	74%	0.739	S	S	*	*			trans	65.8	152.1	150.6	-54.1	163.7	0	0	0	116
1167	D	24.9	Very low	26.1	Very low	140 Å²	140	143.2 Å²	143.2	75%	0.749	74%	0.741	S	S	*	*			cis	-150.5	168.9	-9.1	-119.2	-21.5	0	0	0	112.3
1168	V	28.1	Very low	25.9	Very low	127 Å²	127	140.2 Å²	140.2	77%	0.77	73%	0.73	S	S	*	*			trans	-129.3	136.9	-178.9	172.4	0	0	0	0	105.6
1169	P	30.4	Very low	25.8	Very low	113 Å²	113	140.4 Å²	140.4	73%	0.734	73%	0.728	S	S	*	*				-163.9	164	84.4	45.4	-23.5	0	0	0	121.6
1170	S	26.5	Very low	25.3	Very low	89 Å²	89	145.5 Å²	145.5	62%	0.622	73%	0.733	S	S	*	*			trans	25.9	136.9	141.2	70.6	0	0	0	0	123.7
1171	H	28.2	Very low	25.2	Very low	161 Å²	161	146.2 Å²	146.2	75%	0.745	74%	0.738	S	S	*	*				-161.9	135.1	114.9	-99.7	-63.1	0	0	0	108.7
1172	H	26.6	Very low	25.3	Very low	144 Å²	144	142 Å²	142	67%	0.667	73%	0.734	S	S	*	*				59	140	90.4	-76.2	8	0	0	0	114.8
1173	Q	24.1	Very low	25.4	Very low	153 Å²	153	137 Å²	137	72%	0.715	73%	0.727	S	S	*	*			cis	-160.1	151	10.1	-124.9	165.2	22.6	0	0	113.7
1174	V	23.6	Very low	25.4	Very low	108 Å²	108	140.6 Å²	140.6	66%	0.655	74%	0.737	S	S	*	*			trans	24	123.1	139.5	-179.1	0	0	0	0	120.9
1175	S	25	Very low	25.1	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	74%	0.744	S	S	*	*				-177.3	122.1	113.6	-75.6	0	0	0	0	110.1
1176	R	23.5	Very low	25	Very low	213 Å²	213	141.8 Å²	141.8	80%	0.804	75%	0.753	S	S	*	*				63.1	111.6	70.5	-78.8	-172.5	173.9	163.7	-0.5	115.7
1177	F	23.9	Very low	25.3	Very low	195 Å²	195	140 Å²	140	86%	0.855	75%	0.752	S	S	*	*			trans	167.4	92.4	130	-98.3	-72.4	0	0	0	108.3
1178	T	24.1	Very low	25.8	Very low	108 Å²	108	138.1 Å²	138.1	66%	0.663	75%	0.747	S	S	*	*				48	108.3	75	70.2	0	0	0	0	116.8
1179	M	23.1	Very low	25.9	Very low	144 Å²	144	139.5 Å²	139.5	71%	0.709	75%	0.748	S	S	*	*				176.6	131.1	119.8	-84.5	-131	-178.6	0	0	109.4
1180	R	22.5	Very low	25.6	Very low	217 Å²	217	141 Å²	141	82%	0.819	75%	0.75	S	S	*	*				59.8	141	97.6	-61.3	-174.3	-177.7	165.3	-6.1	114.5
1181	S	23.6	Very low	25.5	Very low	108 Å²	108	142.3 Å²	142.3	76%	0.755	76%	0.758	S	S	*	*			cis	-162	151.6	4.1	33.8	0	0	0	0	114.7
1182	S	25.8	Very low	25.3	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	76%	0.755	S	S	*	*			trans	-40.9	142.6	162.3	55	0	0	0	0	119.8
1183	A	25.3	Very low	25.4	Very low	94 Å²	94	141 Å²	141	78%	0.777	76%	0.76	S	S	*	*			trans	-158.1	128.2	139.7	0	0	0	0	0	108.1
1184	K	23.9	Very low	25.3	Very low	198 Å²	198	141.1 Å²	141.1	86%	0.861	76%	0.761	S	S	*	*				78.2	89.2	52.1	-77.1	-170.2	173.8	179.6	0	115.5
1185	S	24.5	Very low	25.3	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	76%	0.764	S	S	*	*			trans	163.4	151.3	141.7	51.8	0	0	0	0	111.8
1186	K	24.6	Very low	25.1	Very low	193 Å²	193	143.1 Å²	143.1	84%	0.839	76%	0.759	S	S	*	*			cis	-175.6	127.1	-28.7	-116.2	179.7	179.2	-174.9	0	106.5
1187	S	29.4	Very low	25.2	Very low	98 Å²	98	138.9 Å²	138.9	69%	0.685	76%	0.757	S	S	*	*			trans	26	162.9	132.5	62.4	0	0	0	0	122.8
1188	P	35.2	Very low	25.1	Very low	100 Å²	100	138.6 Å²	138.6	65%	0.649	76%	0.758	S	S	*	*			cis	-141.6	-170.4	-24.5	35.3	-13.7	0	0	0	113.9
1189	I	29.4	Very low	25.1	Very low	156 Å²	156	142.3 Å²	142.3	80%	0.8	77%	0.765	S	S	*	*			trans	161.3	106.3	130.4	-82.3	155.7	0	0	0	107
1190	N	24.7	Very low	25	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	77%	0.771	S	S	*	*				80.9	103.2	64.9	-93.9	12.5	0	0	0	116.4
1191	C	25.2	Very low	25	Very low	116 Å²	116	142.7 Å²	142.7	78%	0.784	77%	0.772	S	S	*	*				176.3	103.6	126.2	-92.2	0	0	0	0	107.4
1192	S	24.2	Very low	24.9	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	78%	0.778	S	S	*	*				61	129.8	78.7	74.9	0	0	0	0	112.9
1193	K	27.3	Very low	24.7	Very low	178 Å²	178	149.5 Å²	149.5	77%	0.774	78%	0.782	S	S	*	*			cis	-131.7	148.3	30.8	-71	169.6	-179.1	176.8	0	111.3
1194	Q	22.8	Very low	24.5	Very low	157 Å²	157	152.6 Å²	152.6	73%	0.734	78%	0.784	S	S	*	*				52.1	136.6	81.8	-52.3	176.7	-82.8	0	0	113.3
1195	V	23.1	Very low	24.4	Very low	116 Å²	116	148.5 Å²	148.5	70%	0.703	78%	0.78	S	S	*	*			cis	-149.1	150.7	46.6	163.5	0	0	0	0	113.5
1196	E	21.9	Very low	24.3	Very low	144 Å²	144	149.4 Å²	149.4	67%	0.673	78%	0.781	S	S	*	*			trans	6.1	131	155.2	-74	115	-129	0	0	121.3
1197	T	25	Very low	24.1	Very low	123 Å²	123	144.5 Å²	144.5	76%	0.755	77%	0.771	S	S	*	*				44.7	128.4	93	67.6	0	0	0	0	114.9
1198	E	20.9	Very low	23.8	Very low	189 Å²	189	145.2 Å²	145.2	88%	0.883	78%	0.776	S	S	*	*				-153.9	-164.8	65.1	-81.1	-163.8	104.7	0	0	114.3
1199	K	25.1	Very low	23.2	Very low	186 Å²	186	147.4 Å²	147.4	81%	0.809	79%	0.787	S	S	*	*			trans	-76.4	150.1	169.7	-51.2	156.8	-174.4	160.2	0	109.8
1200	D	21.4	Very low	22.8	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	79%	0.785	S	S	*	*				-168.3	168.4	113.4	-112.9	-22.6	0	0	0	113.9
1201	Y	22.7	Very low	22.7	Very low	215 Å²	215	144 Å²	144	84%	0.843	78%	0.775	S	S	*	*			trans	-69.1	133.6	166.5	-76.9	-112.7	0	0	0	110.2
1202	F	20.4	Very low	22.7	Very low	204 Å²	204	143.8 Å²	143.8	90%	0.895	77%	0.772	S	S	*	*			trans	-156.1	140.2	141.2	-111.9	-71.8	0	0	0	112.7
1203	N	22.6	Very low	22.7	Very low	159 Å²	159	147.1 Å²	147.1	85%	0.85	77%	0.774	S	S	*	*			trans	-69	130.5	163.4	-75.5	-37.4	0	0	0	109.1
1204	L	20.7	Very low	22.7	Very low	158 Å²	158	144.7 Å²	144.7	83%	0.827	77%	0.769	S	S	*	*			trans	-140.2	107.6	159.9	-110	168.2	0	0	0	110.4	V1206	L1204-V1206 PolarHBondContact O-N 3.4Å
1205	S	21.3	Very low	23	Very low	112 Å²	112	139.8 Å²	139.8	78%	0.783	75%	0.752	S	S	*	*			trans	-68.4	119.2	171.8	50.1	0	0	0	0	110.3
1206	V	22.8	Very low	23.3	Very low	135 Å²	135	140.7 Å²	140.7	82%	0.818	75%	0.752	S	S	*	*			trans	-103.1	95.9	164.5	-177.8	0	0	0	0	108.4	L1204	L1204-V1206 PolarHBondContact O-N 3.4Å
1207	S	20.7	Very low	23.6	Very low	91 Å²	91	137.6 Å²	137.6	64%	0.636	74%	0.74	S	S	*	*			trans	-66.3	166.3	165.9	50.4	0	0	0	0	111.5
1208	S	21.2	Very low	24	Very low	112 Å²	112	134 Å²	134	78%	0.783	72%	0.719	S	S	*	*			trans	57.2	81.8	165.4	55.6	0	0	0	0	117.4
1209	V	22.7	Very low	24.5	Very low	147 Å²	147	129.1 Å²	129.1	89%	0.891	70%	0.703	S	S	*	*			trans	-127.4	136.6	137.2	-177	0	0	0	0	107.1
1210	S	22.6	Very low	24.9	Very low	107 Å²	107	124 Å²	124	75%	0.748	68%	0.684	S	S	*	*			trans	-101.8	154.5	-164.5	43.7	0	0	0	0	114.9
1211	E	22	Very low	25.6	Very low	121 Å²	121	120 Å²	120	57%	0.565	66%	0.662	S	S	*	*			trans	48.4	91.4	161.8	-63.1	-171.1	165.8	0	0	119	K1213	E1211-K1213 VanDerWaalsContact C-N 3.34Å; E1211-K1213 HydrophobicContact CB-CG 4.48Å; E1211-K1213 PolarHBondContact O-N 2.93Å; E1211-K1213 WeakPolarHBondContact OE2-CE 3.21Å; E1211-K1213 IonicContact OE2-NZ 2.71Å; E1211-K1213 PolarHBondContact OE2-NZ 3.37Å
1212	P	25	Very low	26.2	Very low	113 Å²	113	114.1 Å²	114.1	73%	0.734	65%	0.645	S	S	*	*			trans	-73.8	86.4	158.8	32.3	-32.9	0	0	0	110.3	L1214	P1212-L1214 PolarHBondContact O-N 3.32Å
1213	K	23.5	Very low	27	Very low	167 Å²	167	106.3 Å²	106.3	73%	0.726	61%	0.613	S	S	*	*			trans	-64	106.3	176.2	-78.2	174.5	172.4	135.6	0	111.1	E1211 S1215	E1211-K1213 VanDerWaalsContact C-N 3.34Å; E1211-K1213 HydrophobicContact CB-CG 4.48Å; E1211-K1213 PolarHBondContact O-N 2.93Å; E1211-K1213 WeakPolarHBondContact OE2-CE 3.21Å; E1211-K1213 IonicContact OE2-NZ 2.71Å; E1211-K1213 PolarHBondContact OE2-NZ 3.37Å; K1213-S1215 PolarHBondContact O-N 3.13Å
1214	L	27.6	Very low	27.7	Very low	127 Å²	127	99.8 Å²	99.8	67%	0.665	58%	0.579	S	S	*	*			trans	-63.9	118.1	170.6	-129.5	80	0	0	0	109.1	P1212	P1212-L1214 PolarHBondContact O-N 3.32Å
1215	S	30.2	Very low	28.5	Very low	54 Å²	54	94 Å²	94	38%	0.378	55%	0.548	S	S	.	.			trans	-75.8	158.9	-175.6	72.9	0	0	0	0	112.4	K1213 N1217 S1218	K1213-S1215 PolarHBondContact O-N 3.13Å; S1215-N1217 PolarHBondContact O-N 2.99Å; S1215-N1217 WeakPolarHBondContact OG-CB 3.19Å; S1215-N1217 PolarHBondContact OG-N 3.27Å; S1215-S1218 VanDerWaalsContact O-CB 3.31Å; S1215-S1218 WeakPolarHBondContact O-CB 3.4Å; S1215-S1218 PolarHBondContact O-N 2.89Å; S1215-S1218 PolarHBondContact O-OG 3.32Å
1216	I	28.3	Very low	29.2	Very low	136 Å²	136	89.7 Å²	89.7	70%	0.697	52%	0.517	S	S	*	.	H	α-helix	trans	-50.4	-31.1	170.1	-81.3	170.1	0	0	0	112.4	S1218 V1219 L1220	I1216-S1218 PolarHBondContact O-N 3.2Å; I1216-V1219 PolarHBondContact O-N 2.98Å; I1216-L1220 HydrophobicContact CG2-CD1 3.81Å; I1216-L1220 HydrophobicContact CG2-CG 4.39Å; I1216-L1220 PolarHBondContact O-N 3.49Å; I1216-L1220 VanDerWaalsContact O-N 3.13Å
1217	N	29.4	Very low	29.7	Very low	78 Å²	78	88.1 Å²	88.1	42%	0.417	50%	0.5	S	S	.	.	H	α-helix	trans	-61.9	-24.7	177.6	-53.9	-42.4	0	0	0	113.5	S1215 L1221	S1215-N1217 PolarHBondContact O-N 2.99Å; S1215-N1217 WeakPolarHBondContact OG-CB 3.19Å; S1215-N1217 PolarHBondContact OG-N 3.27Å; N1217-L1221 WeakPolarHBondContact O-CB 3.4Å; N1217-L1221 PolarHBondContact O-N 2.91Å; N1217-L1221 VanDerWaalsContact O-N 3.1Å
1218	S	31.9	Very low	30.4	Very low	47 Å²	47	86.7 Å²	86.7	33%	0.329	49%	0.494	S	S	.	.	H	α-helix	trans	-75.7	-33.4	178.4	-55.9	0	0	0	0	112.3	S1215 I1216	S1215-S1218 VanDerWaalsContact O-CB 3.31Å; S1215-S1218 WeakPolarHBondContact O-CB 3.4Å; S1215-S1218 PolarHBondContact O-N 2.89Å; S1215-S1218 PolarHBondContact O-OG 3.32Å; I1216-S1218 PolarHBondContact O-N 3.2Å
1219	V	31.9	Very low	30.8	Very low	88 Å²	88	83.1 Å²	83.1	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-74	-47.1	174.2	-178.9	0	0	0	0	109.7	I1216 L1221 L1222 T1223	I1216-V1219 PolarHBondContact O-N 2.98Å; V1219-L1221 VanDerWaalsContact C-N 3.28Å; V1219-L1221 PolarHBondContact O-N 3.2Å; V1219-L1222 WeakPolarHBondContact O-CA 3.15Å; V1219-L1222 WeakPolarHBondContact O-CB 3.43Å; V1219-L1222 PolarHBondContact O-N 3.46Å; V1219-T1223 PolarHBondContact O-N 3.39Å; V1219-T1223 VanDerWaalsContact O-N 3.08Å; V1219-T1223 PolarHBondContact O-OG1 3.48Å
1220	L	34.5	Very low	31.2	Very low	79 Å²	79	78.3 Å²	78.3	41%	0.414	44%	0.442	S	S	.	.	H	α-helix	trans	-53.8	-42.3	175.1	-77.3	165.6	0	0	0	112.5	I1216 L1222 T1223 D1224	I1216-L1220 HydrophobicContact CG2-CD1 3.81Å; I1216-L1220 HydrophobicContact CG2-CG 4.39Å; I1216-L1220 PolarHBondContact O-N 3.49Å; I1216-L1220 VanDerWaalsContact O-N 3.13Å; L1220-L1222 PolarHBondContact O-N 3.36Å; L1220-T1223 WeakPolarHBondContact O-CB 3.27Å; L1220-T1223 PolarHBondContact O-N 3.11Å; L1220-D1224 WeakPolarHBondContact O-CB 3.49Å; L1220-D1224 VanDerWaalsContact O-CG 3.22Å; L1220-D1224 PolarHBondContact O-N 2.86Å
1221	L	35.6	Very low	31.6	Very low	70 Å²	70	79.4 Å²	79.4	37%	0.366	43%	0.433	S	S	.	.	H	α-helix	trans	-59.2	-35.1	176.2	-169.2	75.9	0	0	0	112.5	R1128 N1217 V1219 L1225	R1128-L1221 HydrophobicContact CG-CD1 4.26Å; N1217-L1221 WeakPolarHBondContact O-CB 3.4Å; N1217-L1221 PolarHBondContact O-N 2.91Å; N1217-L1221 VanDerWaalsContact O-N 3.1Å; V1219-L1221 VanDerWaalsContact C-N 3.28Å; V1219-L1221 PolarHBondContact O-N 3.2Å; L1221-L1225 HydrophobicContact CG-CD1 4.37Å; L1221-L1225 WeakPolarHBondContact O-CB 3.3Å; L1221-L1225 WeakPolarHBondContact O-CD1 3.18Å; L1221-L1225 WeakPolarHBondContact O-CG 3.4Å; L1221-L1225 PolarHBondContact O-N 2.94Å; L1221-L1225 VanDerWaalsContact O-N 3.09Å
1222	L	35.6	Very low	32.1	Very low	92 Å²	92	75.6 Å²	75.6	48%	0.482	42%	0.416	S	S	.	.	H	α-helix	trans	-76	-34.4	-179.9	-137.9	141.5	0	0	0	111.1	V1219 L1220 L1226	V1219-L1222 WeakPolarHBondContact O-CA 3.15Å; V1219-L1222 WeakPolarHBondContact O-CB 3.43Å; V1219-L1222 PolarHBondContact O-N 3.46Å; L1220-L1222 PolarHBondContact O-N 3.36Å; L1222-L1226 HydrophobicContact CD2-CD1 4.45Å; L1222-L1226 WeakPolarHBondContact O-CG 3.14Å; L1222-L1226 PolarHBondContact O-N 3.1Å
1223	T	36	Very low	32.3	Very low	39 Å²	39	74 Å²	74	24%	0.239	40%	0.399	C	S	.	.	H	α-helix	trans	-65.6	-48.1	169	-38.7	0	0	0	0	111.7	V1219 L1220 L1225 L1226 E1227 W1295	V1219-T1223 PolarHBondContact O-N 3.39Å; V1219-T1223 VanDerWaalsContact O-N 3.08Å; V1219-T1223 PolarHBondContact O-OG1 3.48Å; L1220-T1223 WeakPolarHBondContact O-CB 3.27Å; L1220-T1223 PolarHBondContact O-N 3.11Å; T1223-L1225 VanDerWaalsContact C-N 3.28Å; T1223-L1225 PolarHBondContact O-N 3.29Å; T1223-L1226 WeakPolarHBondContact O-CA 3.29Å; T1223-L1226 PolarHBondContact O-N 3.18Å; T1223-E1227 PolarHBondContact O-N 3.13Å; T1223-W1295 HydrophobicContact CG2-CH2 3.75Å; T1223-W1295 HydrophobicContact CG2-CZ2 3.95Å; T1223-W1295 HydrophobicContact CG2-CZ3 4.49Å
1224	D	38.1	Very low	32.7	Very low	23 Å²	23	69.7 Å²	69.7	12%	0.123	38%	0.383	C	S	.	.	H	α-helix	trans	-59.5	-36.7	178.5	-68.1	-31.9	0	0	0	112	K1052 Y1053 L1220 L1226 E1227 A1228	K1052-D1224 IonicContact NZ-OD1 2.72Å; K1052-D1224 PolarHBondContact NZ-OD1 3.27Å; Y1053-D1224 PolarHBondContact OH-OD1 3.06Å; Y1053-D1224 PolarHBondContact OH-OD2 2.89Å; L1220-D1224 WeakPolarHBondContact O-CB 3.49Å; L1220-D1224 VanDerWaalsContact O-CG 3.22Å; L1220-D1224 PolarHBondContact O-N 2.86Å; D1224-L1226 VanDerWaalsContact C-N 3.29Å; D1224-L1226 PolarHBondContact O-N 3.49Å; D1224-E1227 PolarHBondContact O-N 3.41Å; D1224-A1228 WeakPolarHBondContact O-CB 3.35Å; D1224-A1228 PolarHBondContact O-N 2.94Å
1225	L	36.5	Very low	32.8	Very low	35 Å²	35	65.4 Å²	65.4	18%	0.183	36%	0.361	C	S	.	.	H	α-helix	trans	-69.6	-24.7	175.3	-73.4	167.2	0	0	0	113.1	L1221 T1223 F1230 L1235	L1221-L1225 HydrophobicContact CG-CD1 4.37Å; L1221-L1225 WeakPolarHBondContact O-CB 3.3Å; L1221-L1225 WeakPolarHBondContact O-CD1 3.18Å; L1221-L1225 WeakPolarHBondContact O-CG 3.4Å; L1221-L1225 PolarHBondContact O-N 2.94Å; L1221-L1225 VanDerWaalsContact O-N 3.09Å; T1223-L1225 VanDerWaalsContact C-N 3.28Å; T1223-L1225 PolarHBondContact O-N 3.29Å; L1225-F1230 HydrophobicContact CB-CD2 4.14Å; L1225-F1230 HydrophobicContact CD2-CD2 3.5Å; L1225-F1230 VanDerWaalsContact CD2-CD2 3.5Å; L1225-F1230 HydrophobicContact CD2-CE2 3.64Å; L1225-F1230 HydrophobicContact CG-CD2 4.44Å; L1225-F1230 VanDerWaalsContact O-CD2 3.28Å; L1225-F1230 WeakPolarHBondContact O-CD2 3.15Å; L1225-F1230 PolarHBondContact O-N 3.04Å; L1225-L1235 HydrophobicContact CD1-CD2 4.36Å
1226	L	36.8	Very low	32.7	Very low	23 Å²	23	67 Å²	67	12%	0.12	36%	0.364	C	S	.	.	H	α-helix	trans	-85.3	-35.8	174	-69.2	166.7	0	0	0	111.7	L1222 T1223 D1224 A1228 G1229 I1232 I1255 W1295	L1222-L1226 HydrophobicContact CD2-CD1 4.45Å; L1222-L1226 WeakPolarHBondContact O-CG 3.14Å; L1222-L1226 PolarHBondContact O-N 3.1Å; T1223-L1226 WeakPolarHBondContact O-CA 3.29Å; T1223-L1226 PolarHBondContact O-N 3.18Å; D1224-L1226 VanDerWaalsContact C-N 3.29Å; D1224-L1226 PolarHBondContact O-N 3.49Å; L1226-A1228 PolarHBondContact O-N 2.78Å; L1226-G1229 PolarHBondContact O-N 2.87Å; L1226-I1232 HydrophobicContact CD2-CD1 3.96Å; L1226-I1232 HydrophobicContact CD2-CG1 4.25Å; L1226-I1255 HydrophobicContact CD1-CD1 3.59Å; L1226-I1255 HydrophobicContact CD1-CG2 3.96Å; L1226-W1295 HydrophobicContact CB-CE3 3.86Å; L1226-W1295 HydrophobicContact CB-CZ3 4.28Å
1227	E	34.4	Very low	32.6	Very low	102 Å²	102	64.2 Å²	64.2	48%	0.477	35%	0.351	S	S	.	.	H	α-helix	trans	-55.8	-37.3	165.4	-70.6	-178.3	-166.2	0	0	111.2	K1052 T1223 D1224 G1229 W1295	K1052-E1227 IonicContact NZ-OE1 2.77Å; K1052-E1227 PolarHBondContact NZ-OE1 3.05Å; K1052-E1227 IonicContact NZ-OE2 2.72Å; K1052-E1227 PolarHBondContact NZ-OE2 3.2Å; T1223-E1227 PolarHBondContact O-N 3.13Å; D1224-E1227 PolarHBondContact O-N 3.41Å; E1227-G1229 VanDerWaalsContact C-N 3.29Å; E1227-G1229 PolarHBondContact O-N 3.39Å; E1227-W1295 HydrophobicContact CB-CZ3 4.33Å; E1227-W1295 HydrophobicContact CG-CH2 3.69Å; E1227-W1295 HydrophobicContact CG-CZ3 3.53Å
1228	A	34.9	Very low	32.7	Very low	60 Å²	60	64.8 Å²	64.8	50%	0.496	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.4	176.6	0	0	0	0	0	115.1	D1224 L1226 F1230	D1224-A1228 WeakPolarHBondContact O-CB 3.35Å; D1224-A1228 PolarHBondContact O-N 2.94Å; L1226-A1228 PolarHBondContact O-N 2.78Å; A1228-F1230 HydrophobicContact CB-CD2 3.91Å; A1228-F1230 HydrophobicContact CB-CE2 3.63Å; A1228-F1230 HydrophobicContact CB-CZ 4.47Å
1229	G	29.5	Very low	32.5	Very low	37 Å²	37	67.3 Å²	67.3	38%	0.381	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	27	174	0	0	0	0	0	116.3	L1226 E1227	L1226-G1229 PolarHBondContact O-N 2.87Å; E1227-G1229 VanDerWaalsContact C-N 3.29Å; E1227-G1229 PolarHBondContact O-N 3.39Å
1230	F	31.6	Very low	32.3	Very low	47 Å²	47	68.9 Å²	68.9	21%	0.206	37%	0.372	C	S	.	.			trans	-73.8	128.5	179.1	-70.9	-61.9	0	0	0	113.6	L1131 P1132 P1133 L1225 A1228 I1232	L1131-F1230 WeakPolarHBondContact O-CZ 3.43Å; P1132-F1230 HydrophobicContact CB-CE1 3.78Å; P1132-F1230 HydrophobicContact CB-CZ 4.24Å; P1132-F1230 HydrophobicContact CG-CE1 4.38Å; P1133-F1230 HydrophobicContact CG-CG 4.48Å; L1225-F1230 HydrophobicContact CB-CD2 4.14Å; L1225-F1230 HydrophobicContact CD2-CD2 3.5Å; L1225-F1230 VanDerWaalsContact CD2-CD2 3.5Å; L1225-F1230 HydrophobicContact CD2-CE2 3.64Å; L1225-F1230 HydrophobicContact CG-CD2 4.44Å; L1225-F1230 VanDerWaalsContact O-CD2 3.28Å; L1225-F1230 WeakPolarHBondContact O-CD2 3.15Å; L1225-F1230 PolarHBondContact O-N 3.04Å; A1228-F1230 HydrophobicContact CB-CD2 3.91Å; A1228-F1230 HydrophobicContact CB-CE2 3.63Å; A1228-F1230 HydrophobicContact CB-CZ 4.47Å; F1230-I1232 PolarHBondContact O-N 3Å
1231	K	30.9	Very low	32	Very low	130 Å²	130	73.1 Å²	73.1	57%	0.565	39%	0.389	S	S	*	.			trans	-61.7	122.2	167.3	-67.6	-171.7	177.8	-172.4	0	109.6	H1233 N1234	K1231-H1233 PolarHBondContact O-N 3.01Å; K1231-N1234 WeakPolarHBondContact O-CB 3.13Å; K1231-N1234 PolarHBondContact O-N 3.38Å
1232	I	32	Very low	31.6	Very low	40 Å²	40	74.6 Å²	74.6	21%	0.205	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-63.4	-16.1	-179.7	-66.7	177.1	0	0	0	113.1	L1226 F1230 N1234 L1235 P1257	L1226-I1232 HydrophobicContact CD2-CD1 3.96Å; L1226-I1232 HydrophobicContact CD2-CG1 4.25Å; F1230-I1232 PolarHBondContact O-N 3Å; I1232-N1234 PolarHBondContact O-N 2.93Å; I1232-L1235 HydrophobicContact CG1-CD1 4.1Å; I1232-L1235 HydrophobicContact CG2-CB 4.3Å; I1232-L1235 PolarHBondContact O-N 2.67Å; I1232-P1257 HydrophobicContact CB-CB 3.72Å; I1232-P1257 HydrophobicContact CB-CG 3.81Å; I1232-P1257 HydrophobicContact CD1-CB 3.74Å; I1232-P1257 HydrophobicContact CD1-CG 3.93Å; I1232-P1257 HydrophobicContact CG1-CB 4.08Å; I1232-P1257 HydrophobicContact CG1-CG 4.38Å; I1232-P1257 HydrophobicContact CG2-CB 4.31Å; I1232-P1257 HydrophobicContact CG2-CG 3.81Å
1233	H	28.6	Very low	31.1	Very low	81 Å²	81	77.2 Å²	77.2	38%	0.375	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-52.7	-26.8	166.7	-161.5	-40.4	0	0	0	112.9	K1231 I1236 I1259 L1269	K1231-H1233 PolarHBondContact O-N 3.01Å; H1233-I1236 VanDerWaalsContact O-CD1 3.25Å; H1233-I1236 WeakPolarHBondContact O-CD1 3.35Å; H1233-I1236 WeakPolarHBondContact O-CG1 3.37Å; H1233-I1259 HydrophobicContact CB-CD1 3.87Å; H1233-L1269 HydrophobicContact CB-CD1 4.01Å
1234	N	31.9	Very low	30.7	Very low	75 Å²	75	82.9 Å²	82.9	40%	0.401	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-84.1	-10.5	178	-63.7	-3.6	0	0	0	113.5	K1231 I1232	K1231-N1234 WeakPolarHBondContact O-CB 3.13Å; K1231-N1234 PolarHBondContact O-N 3.38Å; I1232-N1234 PolarHBondContact O-N 2.93Å
1235	L	30.7	Very low	30.2	Very low	37 Å²	37	85.7 Å²	85.7	19%	0.194	45%	0.451	C	S	.	.	S	Bend	trans	-99	-2	-176.2	-77.5	162.7	0	0	0	114.3	P1133 L1225 I1232 L1237 V1238	P1133-L1235 HydrophobicContact CB-CD2 3.9Å; P1133-L1235 HydrophobicContact CG-CD2 3.82Å; P1133-L1235 HydrophobicContact CG-CG 4.14Å; L1225-L1235 HydrophobicContact CD1-CD2 4.36Å; I1232-L1235 HydrophobicContact CG1-CD1 4.1Å; I1232-L1235 HydrophobicContact CG2-CB 4.3Å; I1232-L1235 PolarHBondContact O-N 2.67Å; L1235-L1237 PolarHBondContact O-N 3.26Å; L1235-V1238 PolarHBondContact O-N 2.9Å
1236	I	27.4	Very low	29.5	Very low	87 Å²	87	92.3 Å²	92.3	45%	0.446	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-52.2	-29.8	-172.9	-64.4	172.9	0	0	0	114	H1233 V1238 N1239 L1269	H1233-I1236 VanDerWaalsContact O-CD1 3.25Å; H1233-I1236 WeakPolarHBondContact O-CD1 3.35Å; H1233-I1236 WeakPolarHBondContact O-CG1 3.37Å; I1236-V1238 VanDerWaalsContact C-N 3.29Å; I1236-V1238 PolarHBondContact O-N 3Å; I1236-N1239 PolarHBondContact O-N 2.85Å; I1236-L1269 HydrophobicContact CD1-CD1 3.98Å; I1236-L1269 HydrophobicContact CD1-CD2 4.35Å
1237	L	27.2	Very low	29.1	Very low	78 Å²	78	98 Å²	98	41%	0.408	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-78	-0.9	-172.2	-80.6	156	0	0	0	115.9	G1135 R1137 L1235	G1135-L1237 WeakPolarHBondContact O-CD1 3.48Å; R1137-L1237 HydrophobicContact CG-CD1 3.9Å; L1235-L1237 PolarHBondContact O-N 3.26Å
1238	V	30.8	Very low	28.6	Very low	91 Å²	91	99.3 Å²	99.3	55%	0.552	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-81	-19	172.8	-175.5	0	0	0	0	111.9	L1235 I1236 D1240 H1241	L1235-V1238 PolarHBondContact O-N 2.9Å; I1236-V1238 VanDerWaalsContact C-N 3.29Å; I1236-V1238 PolarHBondContact O-N 3Å; V1238-D1240 PolarHBondContact O-N 2.84Å; V1238-H1241 PolarHBondContact O-N 3.03Å
1239	N	26.9	Very low	28.2	Very low	100 Å²	100	103.4 Å²	103.4	54%	0.535	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-76.3	-22.1	-158.9	-147	6	0	0	0	115.4	I1236 H1241 L1242	I1236-N1239 PolarHBondContact O-N 2.85Å; N1239-H1241 VanDerWaalsContact C-N 3.29Å; N1239-H1241 PolarHBondContact O-N 3.17Å; N1239-L1242 PolarHBondContact O-N 2.78Å
1240	D	28	Very low	28.1	Very low	120 Å²	120	106.1 Å²	106.1	64%	0.642	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-72	-19.7	178.9	-84.1	-39.8	0	0	0	113.8	V1238 K1243	V1238-D1240 PolarHBondContact O-N 2.84Å; D1240-K1243 IonicContact OD1-NZ 2.93Å; D1240-K1243 PolarHBondContact OD1-NZ 3.33Å
1241	H	28	Very low	27.8	Very low	169 Å²	169	112.9 Å²	112.9	78%	0.782	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-86.7	-11.6	175.9	-73.7	-66.4	0	0	0	114.1	V1238 N1239	V1238-H1241 PolarHBondContact O-N 3.03Å; N1239-H1241 VanDerWaalsContact C-N 3.29Å; N1239-H1241 PolarHBondContact O-N 3.17Å
1242	L	28	Very low	27.6	Very low	100 Å²	100	108.7 Å²	108.7	52%	0.524	56%	0.561	S	S	.	*	S	Bend	trans	-86.2	-14.7	-177.6	-70.4	170.7	0	0	0	113.9	N1239 N1244	N1239-L1242 PolarHBondContact O-N 2.78Å; L1242-N1244 PolarHBondContact O-N 3.39Å
1243	K	25.7	Very low	27.3	Very low	148 Å²	148	113.8 Å²	113.8	64%	0.643	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-12.4	-170.6	-71	172.1	177.1	169.4	0	116.2	D1240	D1240-K1243 IonicContact OD1-NZ 2.93Å; D1240-K1243 PolarHBondContact OD1-NZ 3.33Å
1244	N	27.5	Very low	27.2	Very low	157 Å²	157	114.1 Å²	114.1	84%	0.84	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	12	-169.6	-71.5	-16.2	0	0	0	115.2	L1242	L1242-N1244 PolarHBondContact O-N 3.39Å
1245	V	26.2	Very low	27.1	Very low	82 Å²	82	113.3 Å²	113.3	50%	0.497	58%	0.578	S	S	.	*			trans	-110.1	113.4	-172.1	-175.2	0	0	0	0	112.3
1246	Q	23.5	Very low	26.9	Very low	175 Å²	175	118.1 Å²	118.1	82%	0.818	59%	0.594	S	S	*	*			trans	-79.4	117.8	168.3	-72.8	-173.1	-16.7	0	0	110.8	N1248	Q1246-N1248 PolarHBondContact O-N 3.34Å
1247	L	27.3	Very low	26.9	Very low	141 Å²	141	116.4 Å²	116.4	74%	0.738	59%	0.589	S	S	*	*			trans	-91.1	95.3	178.1	-78	165.4	0	0	0	111.8	N1249	L1247-N1249 VanDerWaalsContact C-N 3.26Å; L1247-N1249 PolarHBondContact O-N 3.47Å
1248	N	25.1	Very low	27	Very low	130 Å²	130	115.6 Å²	115.6	70%	0.695	59%	0.589	S	S	*	*			trans	-81.1	62.8	173.6	-77.7	-26.4	0	0	0	112.6	Q1246	Q1246-N1248 PolarHBondContact O-N 3.34Å
1249	N	25.7	Very low	26.8	Very low	147 Å²	147	113.2 Å²	113.2	79%	0.786	57%	0.573	S	S	*	*	S	Bend	trans	179.1	126.7	151.8	-101	-50	0	0	0	110.6	L1247	L1247-N1249 VanDerWaalsContact C-N 3.26Å; L1247-N1249 PolarHBondContact O-N 3.47Å
1250	P	26.3	Very low	26.8	Very low	94 Å²	94	113 Å²	113	61%	0.61	57%	0.567	S	S	*	*			trans	-82.3	129.2	179.5	32.1	-32.9	0	0	0	112.2
1251	K	25.7	Very low	26.9	Very low	189 Å²	189	108.7 Å²	108.7	82%	0.822	55%	0.546	S	S	*	.			trans	-139.6	141.4	153.3	-78.1	-164	175.4	-174.3	0	109.2	Y1253	K1251-Y1253 PolarHBondContact O-N 2.91Å
1252	P	26.9	Very low	26.9	Very low	42 Å²	42	108.7 Å²	108.7	27%	0.273	55%	0.552	S	S	.	*			trans	-107	92.5	-148.9	37.3	-28.3	0	0	0	112.3	Y1290	P1252-Y1290 WeakPolarHBondContact CB-O 3.4Å
1253	Y	26.2	Very low	26.8	Very low	146 Å²	146	110.3 Å²	110.3	57%	0.573	56%	0.561	S	S	*	*			trans	-145.1	107.1	174.3	-63.5	-78.9	0	0	0	110.8	K1251	K1251-Y1253 PolarHBondContact O-N 2.91Å
1254	I	26.6	Very low	26.8	Very low	89 Å²	89	107.3 Å²	107.3	46%	0.456	55%	0.552	S	S	.	*			trans	-120.7	126.7	169.3	-59.6	176.6	0	0	0	106.8	Y1256	I1254-Y1256 HydrophobicContact CG2-CD2 4.09Å; I1254-Y1256 HydrophobicContact CG2-CE2 3.68Å
1255	I	28.5	Very low	26.7	Very low	58 Å²	58	101.6 Å²	101.6	30%	0.297	52%	0.524	S	S	.	.			trans	-115.8	116.8	-176.2	-54.6	176.3	0	0	0	108.8	L1226	L1226-I1255 HydrophobicContact CD1-CD1 3.59Å; L1226-I1255 HydrophobicContact CD1-CG2 3.96Å
1256	Y	28.5	Very low	26.8	Very low	138 Å²	138	99.9 Å²	99.9	54%	0.541	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-96.1	123.1	178.7	-79.8	-81.3	0	0	0	111.9	I1254 I1291	I1254-Y1256 HydrophobicContact CG2-CD2 4.09Å; I1254-Y1256 HydrophobicContact CG2-CE2 3.68Å; Y1256-I1291 HydrophobicContact CE2-CD1 4.16Å
1257	P	27	Very low	27	Very low	51 Å²	51	97.4 Å²	97.4	33%	0.331	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-81.2	132.9	169.5	31.1	-32.2	0	0	0	111.9	I1232	I1232-P1257 HydrophobicContact CB-CB 3.72Å; I1232-P1257 HydrophobicContact CB-CG 3.81Å; I1232-P1257 HydrophobicContact CD1-CB 3.74Å; I1232-P1257 HydrophobicContact CD1-CG 3.93Å; I1232-P1257 HydrophobicContact CG1-CB 4.08Å; I1232-P1257 HydrophobicContact CG1-CG 4.38Å; I1232-P1257 HydrophobicContact CG2-CB 4.31Å; I1232-P1257 HydrophobicContact CG2-CG 3.81Å
1258	C	27.7	Very low	27.1	Very low	61 Å²	61	95.9 Å²	95.9	41%	0.412	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-98.3	144.1	159.4	-67.1	0	0	0	0	109.9
1259	I	27.8	Very low	27.1	Very low	41 Å²	41	94 Å²	94	21%	0.21	48%	0.478	C	S	.	.			trans	-122.2	124.1	172.8	-58.8	177.9	0	0	0	107.9	H1233 E1267 L1269	H1233-I1259 HydrophobicContact CB-CD1 3.87Å; I1259-E1267 PolarHBondContact O-N 3.21Å; I1259-L1269 HydrophobicContact CD1-CD1 3.44Å; I1259-L1269 VanDerWaalsContact CD1-CD1 3.44Å; I1259-L1269 HydrophobicContact CD1-CG 4.04Å
1260	F	27.5	Very low	27.1	Very low	95 Å²	95	96.1 Å²	96.1	42%	0.417	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-81.6	124.6	167.9	-62.8	-72.7	0	0	0	109.2	L1312 V1315	F1260-L1312 HydrophobicContact CE2-CD1 4.17Å; F1260-L1312 HydrophobicContact CZ-CD1 4.09Å; F1260-V1315 HydrophobicContact CD1-CG2 4.35Å; F1260-V1315 HydrophobicContact CE1-CB 4.33Å; F1260-V1315 HydrophobicContact CE1-CG1 4.32Å; F1260-V1315 HydrophobicContact CE1-CG2 3.9Å
1261	S	29.1	Very low	27.1	Very low	29 Å²	29	97.2 Å²	97.2	20%	0.203	49%	0.486	C	S	.	.			trans	-78.2	163.2	163.2	76.5	0	0	0	0	110.3	N1263 S1265	S1261-N1263 PolarHBondContact O-N 3.19Å; S1261-N1263 VanDerWaalsContact O-N 3.13Å; S1261-N1263 PolarHBondContact OG-N 3.14Å; S1261-S1265 PolarHBondContact N-O 3.41Å; S1261-S1265 PolarHBondContact OG-N 3.36Å; S1261-S1265 PolarHBondContact OG-O 2.93Å; S1261-S1265 PolarHBondContact OG-OG 3.32Å
1262	D	27.8	Very low	26.9	Very low	170 Å²	170	95.9 Å²	95.9	91%	0.909	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-7	172.2	-61	-63.6	0	0	0	113.1
1263	N	25.6	Very low	26.7	Very low	134 Å²	134	100.4 Å²	100.4	72%	0.717	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	7.8	-175.9	-70.6	-21	0	0	0	114.7	S1261 S1265	S1261-N1263 PolarHBondContact O-N 3.19Å; S1261-N1263 VanDerWaalsContact O-N 3.13Å; S1261-N1263 PolarHBondContact OG-N 3.14Å; N1263-S1265 PolarHBondContact O-N 3.49Å
1264	N	26.8	Very low	26.5	Very low	84 Å²	84	99.8 Å²	99.8	45%	0.449	53%	0.526	S	S	.	.	S	Bend	trans	60.5	29.5	-171	-43.4	-88.6	0	0	0	113.8	K1321	N1264-K1321 PolarHBondContact O-NZ 2.87Å
1265	S	25.8	Very low	26.3	Very low	37 Å²	37	102.7 Å²	102.7	26%	0.259	54%	0.543	S	S	.	.			trans	-101.9	145.4	166.6	60.9	0	0	0	0	111	S1261 N1263	S1261-S1265 PolarHBondContact N-O 3.41Å; S1261-S1265 PolarHBondContact OG-N 3.36Å; S1261-S1265 PolarHBondContact OG-O 2.93Å; S1261-S1265 PolarHBondContact OG-OG 3.32Å; N1263-S1265 PolarHBondContact O-N 3.49Å
1266	I	27.6	Very low	26	Very low	47 Å²	47	106.3 Å²	106.3	24%	0.241	57%	0.572	C	S	.	*	B	Isolated β-bridge	trans	-88.9	112.4	164.6	-59.8	172.4	0	0	0	105.9	F1268 V1315	I1266-F1268 HydrophobicContact CG2-CD2 4.3Å; I1266-F1268 HydrophobicContact CG2-CE2 3.9Å; I1266-F1268 HydrophobicContact CG2-CZ 4.23Å; I1266-V1315 HydrophobicContact CD1-CG1 4.04Å
1267	E	27.4	Very low	25.7	Very low	123 Å²	123	106.6 Å²	106.6	58%	0.575	58%	0.581	S	S	*	*			trans	-103	112.8	175.8	-74.7	-174.3	177.4	0	0	110.7	I1259	I1259-E1267 PolarHBondContact O-N 3.21Å
1268	F	28.7	Very low	25.5	Very low	109 Å²	109	109 Å²	109	48%	0.478	59%	0.591	S	S	.	*			trans	-79.1	126.2	170.6	-71.7	-82	0	0	0	110.4	I1266 Y1270 F1325	I1266-F1268 HydrophobicContact CG2-CD2 4.3Å; I1266-F1268 HydrophobicContact CG2-CE2 3.9Å; I1266-F1268 HydrophobicContact CG2-CZ 4.23Å; F1268-Y1270 HydrophobicContact CB-CD2 4.26Å; F1268-Y1270 HydrophobicContact CB-CE2 4.46Å; F1268-Y1270 PolarHBondContact O-N 2.86Å; F1268-F1325 HydrophobicContact CZ-CD2 4.16Å; F1268-F1325 HydrophobicContact CZ-CE2 4.46Å
1269	L	26.3	Very low	25.4	Very low	91 Å²	91	113.5 Å²	113.5	48%	0.476	61%	0.61	S	S	.	*			trans	-73.4	82.9	178.3	-81	167.7	0	0	0	112.3	H1233 I1236 I1259	H1233-L1269 HydrophobicContact CB-CD1 4.01Å; I1236-L1269 HydrophobicContact CD1-CD1 3.98Å; I1236-L1269 HydrophobicContact CD1-CD2 4.35Å; I1259-L1269 HydrophobicContact CD1-CD1 3.44Å; I1259-L1269 VanDerWaalsContact CD1-CD1 3.44Å; I1259-L1269 HydrophobicContact CD1-CG 4.04Å
1270	Y	25.6	Very low	25.3	Very low	191 Å²	191	117.1 Å²	117.1	75%	0.749	64%	0.635	S	S	*	*			trans	-96.5	135.9	160.8	-81.7	-87.7	0	0	0	110.9	F1268	F1268-Y1270 HydrophobicContact CB-CD2 4.26Å; F1268-Y1270 HydrophobicContact CB-CE2 4.46Å; F1268-Y1270 PolarHBondContact O-N 2.86Å
1271	S	25.8	Very low	25.2	Very low	116 Å²	116	117.6 Å²	117.6	81%	0.811	65%	0.645	S	S	*	*			trans	-84.5	133	-174.3	58	0	0	0	0	113.1	T1273	S1271-T1273 PolarHBondContact O-N 2.96Å
1272	N	22.5	Very low	25	Very low	161 Å²	161	124.2 Å²	124.2	86%	0.861	67%	0.673	S	S	*	*			trans	-41.6	112.6	177.7	-65.7	-14	0	0	0	115.6
1273	T	22.8	Very low	24.8	Very low	137 Å²	137	126.6 Å²	126.6	84%	0.84	67%	0.671	S	S	*	*				-160.3	155.7	116	25	0	0	0	0	110.8	S1271 N1275	S1271-T1273 PolarHBondContact O-N 2.96Å; T1273-N1275 PolarHBondContact O-N 2.98Å
1274	T	21.5	Very low	24.8	Very low	134 Å²	134	130.2 Å²	130.2	82%	0.822	68%	0.68	S	S	*	*			trans	-62.2	111.5	175	47.5	0	0	0	0	112.3
1275	N	22.3	Very low	24.9	Very low	149 Å²	149	131.5 Å²	131.5	80%	0.797	69%	0.686	S	S	*	*			trans	-175.3	144.3	142.6	-95	-20.8	0	0	0	110.2	T1273	T1273-N1275 PolarHBondContact O-N 2.98Å
1276	C	21.3	Very low	24.9	Very low	134 Å²	134	137.3 Å²	137.3	91%	0.905	71%	0.707	S	S	*	*			trans	-70.2	129.5	171.4	-55.3	0	0	0	0	109.8
1277	I	22.9	Very low	24.8	Very low	144 Å²	144	143.9 Å²	143.9	74%	0.738	74%	0.736	S	S	*	*			trans	-126.5	119.8	167.3	-61.1	-178.7	0	0	0	107.3
1278	D	23.4	Very low	24.8	Very low	103 Å²	103	144.3 Å²	144.3	55%	0.551	74%	0.743	S	S	*	*			trans	-75	119.9	179.4	-174.5	-22.7	0	0	0	110.1	T1280 T1281	D1278-T1280 PolarHBondContact O-N 2.91Å; D1278-T1280 WeakPolarHBondContact OD1-CB 3.12Å; D1278-T1280 VanDerWaalsContact OD1-CG2 3.31Å; D1278-T1280 WeakPolarHBondContact OD1-CG2 3.09Å; D1278-T1280 PolarHBondContact OD1-N 3.27Å; D1278-T1280 PolarHBondContact OD1-OG1 3.37Å; D1278-T1280 PolarHBondContact OD2-OG1 2.92Å; D1278-T1281 PolarHBondContact O-OG1 3.41Å
1279	L	24.9	Very low	24.7	Very low	155 Å²	155	143.2 Å²	143.2	81%	0.812	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-8.4	-177	-75.5	169.4	0	0	0	113.8	T1281	L1279-T1281 VanDerWaalsContact C-N 3.32Å; L1279-T1281 PolarHBondContact O-N 2.92Å
1280	T	25.8	Very low	24.8	Very low	117 Å²	117	143.5 Å²	143.5	72%	0.718	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-10	-176.3	60	0	0	0	0	115.4	D1278	D1278-T1280 PolarHBondContact O-N 2.91Å; D1278-T1280 WeakPolarHBondContact OD1-CB 3.12Å; D1278-T1280 VanDerWaalsContact OD1-CG2 3.31Å; D1278-T1280 WeakPolarHBondContact OD1-CG2 3.09Å; D1278-T1280 PolarHBondContact OD1-N 3.27Å; D1278-T1280 PolarHBondContact OD1-OG1 3.37Å; D1278-T1280 PolarHBondContact OD2-OG1 2.92Å
1281	T	25.1	Very low	25	Very low	105 Å²	105	136.5 Å²	136.5	64%	0.644	71%	0.71	S	S	*	*	S	Bend	trans	-122.9	-13.7	-159.4	51.2	0	0	0	0	119.8	D1278 L1279	D1278-T1281 PolarHBondContact O-OG1 3.41Å; L1279-T1281 VanDerWaalsContact C-N 3.32Å; L1279-T1281 PolarHBondContact O-N 2.92Å
1282	Q	24.1	Very low	25	Very low	167 Å²	167	138.2 Å²	138.2	78%	0.78	70%	0.698	S	S	*	*	S	Bend	trans	-126	-10.5	-169.7	-74.3	-159.3	-13.1	0	0	119.6
1283	Y	25.2	Very low	25.2	Very low	221 Å²	221	134 Å²	134	87%	0.867	67%	0.673	S	S	*	*			trans	-122	94.5	174.8	-80.8	-88.8	0	0	0	112.3	I1285	Y1283-I1285 PolarHBondContact O-N 3.42Å; Y1283-I1285 VanDerWaalsContact O-N 3.13Å
1284	K	24.7	Very low	25.4	Very low	209 Å²	209	130.7 Å²	130.7	91%	0.909	65%	0.65	S	S	*	*			trans	-71.7	99.3	161	-78.7	-169.7	173.3	-172.5	0	109.2	K1286	K1284-K1286 PolarHBondContact O-N 2.9Å
1285	I	29.2	Very low	25.7	Very low	112 Å²	112	128.5 Å²	128.5	57%	0.574	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-53.3	135.6	156.1	-59.3	175.2	0	0	0	106.9	Y1283 E1289	Y1283-I1285 PolarHBondContact O-N 3.42Å; Y1283-I1285 VanDerWaalsContact O-N 3.13Å; I1285-E1289 HydrophobicContact CG2-CB 4Å
1286	K	25.9	Very low	25.9	Very low	159 Å²	159	126.6 Å²	126.6	69%	0.691	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-80	142.7	178.5	-74.1	179.3	179.8	173.1	0	109.4	K1284 N1288 E1289	K1284-K1286 PolarHBondContact O-N 2.9Å; K1286-N1288 PolarHBondContact O-N 3.31Å; K1286-E1289 PolarHBondContact O-N 3.35Å
1287	E	25	Very low	26.1	Very low	184 Å²	184	124.3 Å²	124.3	86%	0.86	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.6	129.2	168.3	-63.1	171	125.8	0	0	109
1288	N	27.3	Very low	26.2	Very low	133 Å²	133	122.7 Å²	122.7	71%	0.711	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.8	10.3	-175.6	-50.4	-74.2	0	0	0	119.3	K1286	K1286-N1288 PolarHBondContact O-N 3.31Å
1289	E	27	Very low	26.2	Very low	85 Å²	85	121.4 Å²	121.4	40%	0.397	60%	0.598	S	S	.	*			trans	-96.4	119.2	169.5	-68.1	-178.9	160.8	0	0	111.9	I1285 K1286	I1285-E1289 HydrophobicContact CG2-CB 4Å; K1286-E1289 PolarHBondContact O-N 3.35Å
1290	Y	28.9	Very low	26.2	Very low	97 Å²	97	119.6 Å²	119.6	38%	0.38	58%	0.58	S	S	.	*			trans	-114.9	136.7	-175.9	-65.8	-100.2	0	0	0	111.7	P1252	P1252-Y1290 WeakPolarHBondContact CB-O 3.4Å
1291	I	29.1	Very low	26.2	Very low	45 Å²	45	119.7 Å²	119.7	23%	0.231	58%	0.583	C	S	.	*			trans	-90.5	108.6	170	-60	176.7	0	0	0	108.3	Y1256	Y1256-I1291 HydrophobicContact CE2-CD1 4.16Å
1292	R	25.7	Very low	26.3	Very low	152 Å²	152	119.3 Å²	119.3	57%	0.574	58%	0.575	S	S	*	*			trans	-92.9	-36.5	-175.4	-89.6	-170.4	170.7	-162.6	-4.8	116.5	T1353	R1292-T1353 WeakPolarHBondContact O-CA 3.26Å; R1292-T1353 WeakPolarHBondContact O-CB 3.19Å; R1292-T1353 WeakPolarHBondContact O-CG2 3.44Å
1293	E	26.1	Very low	26.5	Very low	71 Å²	71	112.9 Å²	112.9	33%	0.332	55%	0.553	S	S	.	*			trans	-135.8	140.6	-168.9	-74.7	178.3	-169.2	0	0	113.6	W1295 V1352 T1353	E1293-W1295 PolarHBondContact OE2-NE1 2.88Å; E1293-V1352 WeakPolarHBondContact CA-O 3.33Å; E1293-T1353 HydrophobicContact CG-CG2 3.83Å
1294	I	27.9	Very low	26.5	Very low	69 Å²	69	108.2 Å²	108.2	35%	0.354	54%	0.535	S	S	.	.			trans	-120.4	123.2	169.2	-60.3	177.7	0	0	0	108.5	F1296 V1352	I1294-F1296 HydrophobicContact CG2-CE2 4.2Å; I1294-V1352 HydrophobicContact CB-CG1 4.38Å; I1294-V1352 PolarHBondContact N-O 3.45Å
1295	W	27.1	Very low	26.6	Very low	88 Å²	88	102.5 Å²	102.5	33%	0.333	51%	0.51	S	S	.	.			trans	-101.5	129	-168.4	-84.9	48.2	0	0	0	113.4	T1223 L1226 E1227 E1293	T1223-W1295 HydrophobicContact CG2-CH2 3.75Å; T1223-W1295 HydrophobicContact CG2-CZ2 3.95Å; T1223-W1295 HydrophobicContact CG2-CZ3 4.49Å; L1226-W1295 HydrophobicContact CB-CE3 3.86Å; L1226-W1295 HydrophobicContact CB-CZ3 4.28Å; E1227-W1295 HydrophobicContact CB-CZ3 4.33Å; E1227-W1295 HydrophobicContact CG-CH2 3.69Å; E1227-W1295 HydrophobicContact CG-CZ3 3.53Å; E1293-W1295 PolarHBondContact OE2-NE1 2.88Å
1296	F	27.2	Very low	26.6	Very low	109 Å²	109	100.3 Å²	100.3	48%	0.478	50%	0.5	S	S	.	.			trans	-117	124.3	169	-64.4	-86.9	0	0	0	109.8	I1294 L1298	I1294-F1296 HydrophobicContact CG2-CE2 4.2Å; F1296-L1298 PolarHBondContact O-N 3.5Å; F1296-L1298 VanDerWaalsContact O-N 3.11Å
1297	P	25.1	Very low	26.6	Very low	86 Å²	86	99.5 Å²	99.5	56%	0.558	49%	0.492	S	S	*	.			trans	-78.6	99.6	-173.5	30	-34.5	0	0	0	112.5
1298	L	25	Very low	26.7	Very low	110 Å²	110	95.9 Å²	95.9	58%	0.576	48%	0.478	S	S	*	.			trans	-107	103.2	177.6	-68.2	175.6	0	0	0	111	F1296 F1305	F1296-L1298 PolarHBondContact O-N 3.5Å; F1296-L1298 VanDerWaalsContact O-N 3.11Å; L1298-F1305 HydrophobicContact CD2-CE2 3.98Å; L1298-F1305 HydrophobicContact CD2-CZ 3.9Å
1299	G	23.5	Very low	26.8	Very low	75 Å²	75	91.5 Å²	91.5	77%	0.773	46%	0.458	S	S	*	.			trans	-155.7	30.5	-171.2	0	0	0	0	0	117
1300	R	25.7	Very low	26.9	Very low	118 Å²	118	91.1 Å²	91.1	45%	0.445	46%	0.461	S	S	.	.	S	Bend	trans	-142.1	154.4	177.1	-70.9	-165.9	168.4	-107.4	-24.1	113.7	L761	L761-R1300 VanDerWaalsContact O-CZ 3.29Å; L761-R1300 PolarHBondContact O-NH1 3.45Å; L761-R1300 PolarHBondContact O-NH2 2.94Å
1301	P	25.3	Very low	27	Very low	118 Å²	118	89 Å²	89	77%	0.766	46%	0.46	S	S	*	.			trans	-59.4	158.1	173.5	-22.6	34.1	0	0	0	113.3	G1303	P1301-G1303 PolarHBondContact O-N 3.41Å
1302	M	27.2	Very low	27.1	Very low	98 Å²	98	89.4 Å²	89.4	48%	0.483	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	8.4	-165.9	-100.9	-75.8	179.5	0	0	120	Y577 Y1304 F1305	Y577-M1302 HydrophobicContact CD2-CE 3.75Å; Y577-M1302 HydrophobicContact CD2-CG 4.28Å; Y577-M1302 HydrophobicContact CD2-SD 4.45Å; Y577-M1302 HydrophobicContact CE2-CE 3.92Å; Y577-M1302 HydrophobicContact CE2-CG 3.97Å; Y577-M1302 HydrophobicContact CE2-SD 4.06Å; M1302-Y1304 PolarHBondContact O-N 2.87Å; M1302-F1305 HydrophobicContact CE-CG 4.33Å; M1302-F1305 HydrophobicContact SD-CB 3.87Å; M1302-F1305 HydrophobicContact SD-CD2 4.47Å; M1302-F1305 HydrophobicContact SD-CG 4.19Å
1303	G	28	Very low	27.3	Very low	32 Å²	32	85.5 Å²	85.5	33%	0.33	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.9	-175.6	0	0	0	0	0	117.3	Y899 P1301	Y899-G1303 PolarHBondContact OH-O 3.28Å; P1301-G1303 PolarHBondContact O-N 3.41Å
1304	Y	26.5	Very low	27.4	Very low	123 Å²	123	88.1 Å²	88.1	48%	0.482	47%	0.469	S	S	.	.	S	Bend	trans	-118.6	-9.4	-179.4	-97.5	-123.5	0	0	0	114	E760 M1302 N1306 R1307	E760-Y1304 PolarHBondContact OE2-OH 2.91Å; M1302-Y1304 PolarHBondContact O-N 2.87Å; Y1304-N1306 PolarHBondContact O-N 3.12Å; Y1304-R1307 PolarHBondContact O-N 2.92Å
1305	F	26.1	Very low	27.5	Very low	89 Å²	89	86 Å²	86	39%	0.39	46%	0.459	S	S	.	.	H	α-helix	trans	-62.2	-39.5	-162.6	-128.3	-93	0	0	0	113.5	L1298 M1302 R1307 L1308 S1309	L1298-F1305 HydrophobicContact CD2-CE2 3.98Å; L1298-F1305 HydrophobicContact CD2-CZ 3.9Å; M1302-F1305 HydrophobicContact CE-CG 4.33Å; M1302-F1305 HydrophobicContact SD-CB 3.87Å; M1302-F1305 HydrophobicContact SD-CD2 4.47Å; M1302-F1305 HydrophobicContact SD-CG 4.19Å; F1305-R1307 PolarHBondContact O-N 3.22Å; F1305-L1308 PolarHBondContact O-N 3.36Å; F1305-L1308 VanDerWaalsContact O-N 3.16Å; F1305-S1309 PolarHBondContact O-N 2.98Å; F1305-S1309 PolarHBondContact O-OG 2.93Å
1306	N	28.3	Very low	27.7	Very low	65 Å²	65	86.9 Å²	86.9	35%	0.348	47%	0.469	S	S	.	.	H	α-helix	trans	-73.9	-5.1	-176.3	-57.8	-2.2	0	0	0	114.8	L898 Y1304 S1309 V1310	L898-N1306 HydrophobicContact CD1-CB 3.69Å; L898-N1306 HydrophobicContact CG-CB 3.85Å; Y1304-N1306 PolarHBondContact O-N 3.12Å; N1306-S1309 WeakPolarHBondContact CA-OG 3.26Å; N1306-V1310 WeakPolarHBondContact O-CB 3.31Å; N1306-V1310 WeakPolarHBondContact O-CG2 3.21Å
1307	R	26.8	Very low	27.9	Very low	143 Å²	143	86.7 Å²	86.7	54%	0.54	48%	0.48	S	S	.	.	H	α-helix	trans	-85.9	-45.9	164.8	-89.4	-173.8	166.8	-165.7	-7.3	111	P896 Y1304 F1305 S1311	P896-R1307 HydrophobicContact CB-CG 4.13Å; P896-R1307 HydrophobicContact CG-CG 4.19Å; Y1304-R1307 PolarHBondContact O-N 2.92Å; F1305-R1307 PolarHBondContact O-N 3.22Å; R1307-S1311 PolarHBondContact O-N 3.03Å; R1307-S1311 PolarHBondContact O-OG 2.91Å
1308	L	27.9	Very low	28.2	Very low	107 Å²	107	84.9 Å²	84.9	56%	0.56	47%	0.466	S	S	*	.	H	α-helix	trans	-67.9	-43.6	-179.5	-127.7	79.3	0	0	0	111.9	F1305 S1311 L1312	F1305-L1308 PolarHBondContact O-N 3.36Å; F1305-L1308 VanDerWaalsContact O-N 3.16Å; L1308-S1311 PolarHBondContact O-N 3.09Å; L1308-L1312 WeakPolarHBondContact O-CB 3.21Å; L1308-L1312 PolarHBondContact O-N 3.11Å
1309	S	28.7	Very low	28.4	Very low	41 Å²	41	83.9 Å²	83.9	29%	0.287	46%	0.458	S	S	.	.	H	α-helix	trans	-65.9	-41.9	179.6	63.4	0	0	0	0	112.5	F1305 N1306 S1311 L1312 C1313	F1305-S1309 PolarHBondContact O-N 2.98Å; F1305-S1309 PolarHBondContact O-OG 2.93Å; N1306-S1309 WeakPolarHBondContact CA-OG 3.26Å; S1309-S1311 VanDerWaalsContact C-N 3.32Å; S1309-S1311 PolarHBondContact O-N 2.67Å; S1309-L1312 PolarHBondContact O-N 3.26Å; S1309-C1313 VanDerWaalsContact O-CB 3.29Å; S1309-C1313 WeakPolarHBondContact O-CB 3.47Å; S1309-C1313 PolarHBondContact O-N 2.9Å; S1309-C1313 PolarHBondContact O-SG 2.92Å
1310	V	29.4	Very low	28.9	Very low	77 Å²	77	85 Å²	85	47%	0.467	45%	0.45	S	S	.	.	H	α-helix	trans	-64.4	-36	177.3	171.2	0	0	0	0	111.7	N1306 K1314	N1306-V1310 WeakPolarHBondContact O-CB 3.31Å; N1306-V1310 WeakPolarHBondContact O-CG2 3.21Å; V1310-K1314 HydrophobicContact CG1-CD 4.46Å; V1310-K1314 WeakPolarHBondContact O-CB 3.44Å; V1310-K1314 VanDerWaalsContact O-CG 3.27Å; V1310-K1314 WeakPolarHBondContact O-CG 3.31Å; V1310-K1314 PolarHBondContact O-N 3.31Å; V1310-K1314 VanDerWaalsContact O-N 3.08Å
1311	S	30.2	Very low	29.3	Very low	52 Å²	52	82.9 Å²	82.9	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-73.2	-41.7	173.8	-65.1	0	0	0	0	112.8	R1307 L1308 S1309 K1314 V1315	R1307-S1311 PolarHBondContact O-N 3.03Å; R1307-S1311 PolarHBondContact O-OG 2.91Å; L1308-S1311 PolarHBondContact O-N 3.09Å; S1309-S1311 VanDerWaalsContact C-N 3.32Å; S1309-S1311 PolarHBondContact O-N 2.67Å; S1311-K1314 PolarHBondContact O-N 2.66Å; S1311-V1315 WeakPolarHBondContact O-CG2 3.35Å; S1311-V1315 PolarHBondContact O-N 3.36Å; S1311-V1315 VanDerWaalsContact O-N 3.09Å
1312	L	30.8	Very low	29.8	Very low	54 Å²	54	81.7 Å²	81.7	28%	0.283	43%	0.427	S	S	.	.	H	α-helix	trans	-59.9	-50.6	173.5	-108.4	73.5	0	0	0	111.1	F1260 L1308 S1309 K1314 V1315 I1316	F1260-L1312 HydrophobicContact CE2-CD1 4.17Å; F1260-L1312 HydrophobicContact CZ-CD1 4.09Å; L1308-L1312 WeakPolarHBondContact O-CB 3.21Å; L1308-L1312 PolarHBondContact O-N 3.11Å; S1309-L1312 PolarHBondContact O-N 3.26Å; L1312-K1314 VanDerWaalsContact C-N 3.3Å; L1312-K1314 PolarHBondContact O-N 3.44Å; L1312-V1315 PolarHBondContact O-N 3.37Å; L1312-V1315 VanDerWaalsContact O-N 3.11Å; L1312-I1316 HydrophobicContact CB-CD1 4.33Å; L1312-I1316 WeakPolarHBondContact O-CB 3.33Å; L1312-I1316 VanDerWaalsContact O-CG1 3.26Å; L1312-I1316 WeakPolarHBondContact O-CG1 3.19Å; L1312-I1316 PolarHBondContact O-N 3.45Å
1313	C	30.5	Very low	30.2	Very low	71 Å²	71	80.8 Å²	80.8	48%	0.48	42%	0.423	S	S	.	.	H	α-helix	trans	-59.4	-39.5	178.2	-69.7	0	0	0	0	111.9	S1309 V1315 I1316 C1317	S1309-C1313 VanDerWaalsContact O-CB 3.29Å; S1309-C1313 WeakPolarHBondContact O-CB 3.47Å; S1309-C1313 PolarHBondContact O-N 2.9Å; S1309-C1313 PolarHBondContact O-SG 2.92Å; C1313-V1315 PolarHBondContact O-N 3.11Å; C1313-I1316 PolarHBondContact O-N 2.89Å; C1313-C1317 VanDerWaalsContact O-CB 3.25Å; C1313-C1317 WeakPolarHBondContact O-CB 3.27Å; C1313-C1317 PolarHBondContact O-N 3.19Å; C1313-C1317 PolarHBondContact O-SG 2.89Å
1314	K	28.2	Very low	30.7	Very low	126 Å²	126	85.8 Å²	85.8	55%	0.548	44%	0.438	S	S	.	.	H	α-helix	trans	-62.5	-38.4	174.7	-83.1	178.2	173.7	-170.2	0	113.4	V1310 S1311 L1312 D1318	V1310-K1314 HydrophobicContact CG1-CD 4.46Å; V1310-K1314 WeakPolarHBondContact O-CB 3.44Å; V1310-K1314 VanDerWaalsContact O-CG 3.27Å; V1310-K1314 WeakPolarHBondContact O-CG 3.31Å; V1310-K1314 PolarHBondContact O-N 3.31Å; V1310-K1314 VanDerWaalsContact O-N 3.08Å; S1311-K1314 PolarHBondContact O-N 2.66Å; L1312-K1314 VanDerWaalsContact C-N 3.3Å; L1312-K1314 PolarHBondContact O-N 3.44Å; K1314-D1318 PolarHBondContact O-N 3.39Å
1315	V	30.6	Very low	31.2	Very low	24 Å²	24	82.9 Å²	82.9	15%	0.145	43%	0.428	C	S	.	.	H	α-helix	trans	-79.9	-32.7	-179.9	173.5	0	0	0	0	111.9	F1260 I1266 S1311 L1312 C1313 D1318	F1260-V1315 HydrophobicContact CD1-CG2 4.35Å; F1260-V1315 HydrophobicContact CE1-CB 4.33Å; F1260-V1315 HydrophobicContact CE1-CG1 4.32Å; F1260-V1315 HydrophobicContact CE1-CG2 3.9Å; I1266-V1315 HydrophobicContact CD1-CG1 4.04Å; S1311-V1315 WeakPolarHBondContact O-CG2 3.35Å; S1311-V1315 PolarHBondContact O-N 3.36Å; S1311-V1315 VanDerWaalsContact O-N 3.09Å; L1312-V1315 PolarHBondContact O-N 3.37Å; L1312-V1315 VanDerWaalsContact O-N 3.11Å; C1313-V1315 PolarHBondContact O-N 3.11Å; V1315-D1318 PolarHBondContact O-N 3.44Å
1316	I	31	Very low	31.8	Very low	106 Å²	106	81.5 Å²	81.5	54%	0.544	43%	0.429	S	S	.	.	H	α-helix	trans	-71.7	-30.7	173	-66.5	164	0	0	0	111.4	L1312 C1313 D1318	L1312-I1316 HydrophobicContact CB-CD1 4.33Å; L1312-I1316 WeakPolarHBondContact O-CB 3.33Å; L1312-I1316 VanDerWaalsContact O-CG1 3.26Å; L1312-I1316 WeakPolarHBondContact O-CG1 3.19Å; L1312-I1316 PolarHBondContact O-N 3.45Å; C1313-I1316 PolarHBondContact O-N 2.89Å; I1316-D1318 VanDerWaalsContact C-N 3.29Å
1317	C	30.7	Very low	32.1	Very low	105 Å²	105	81.7 Å²	81.7	71%	0.709	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.6	172.4	-66.2	0	0	0	0	113.7	C1313 Q1319	C1313-C1317 VanDerWaalsContact O-CB 3.25Å; C1313-C1317 WeakPolarHBondContact O-CB 3.27Å; C1313-C1317 PolarHBondContact O-N 3.19Å; C1313-C1317 PolarHBondContact O-SG 2.89Å; C1317-Q1319 PolarHBondContact O-N 3.05Å
1318	D	32.7	Very low	32.6	Very low	48 Å²	48	79 Å²	79	26%	0.257	45%	0.45	S	S	.	.			trans	-92.1	71.7	176.2	-163.9	-23.5	0	0	0	109.3	K1314 V1315 I1316 T1320 K1321 F1322	K1314-D1318 PolarHBondContact O-N 3.39Å; V1315-D1318 PolarHBondContact O-N 3.44Å; I1316-D1318 VanDerWaalsContact C-N 3.29Å; D1318-T1320 PolarHBondContact O-N 2.98Å; D1318-K1321 PolarHBondContact O-N 3.07Å; D1318-K1321 VanDerWaalsContact O-N 3.11Å; D1318-K1321 VanDerWaalsContact OD2-CD 3.28Å; D1318-K1321 WeakPolarHBondContact OD2-CD 3.41Å; D1318-K1321 WeakPolarHBondContact OD2-CE 3.26Å; D1318-K1321 IonicContact OD2-NZ 3.33Å; D1318-K1321 PolarHBondContact OD2-NZ 2.77Å; D1318-F1322 PolarHBondContact O-N 2.98Å
1319	Q	28.2	Very low	33	Very low	89 Å²	89	77.7 Å²	77.7	42%	0.416	44%	0.442	S	S	.	.	H	α-helix	trans	-50.3	-36.9	-172.2	-75.5	-175.8	-43.8	0	0	113.1	C1317 F1322 I1323	C1317-Q1319 PolarHBondContact O-N 3.05Å; Q1319-F1322 PolarHBondContact O-N 2.87Å; Q1319-I1323 WeakPolarHBondContact O-CB 3.4Å; Q1319-I1323 WeakPolarHBondContact O-CD1 3.47Å; Q1319-I1323 VanDerWaalsContact O-CG1 3.25Å; Q1319-I1323 WeakPolarHBondContact O-CG1 3.48Å; Q1319-I1323 PolarHBondContact O-N 3.36Å
1320	T	33.3	Very low	33.2	Very low	100 Å²	100	80.9 Å²	80.9	61%	0.613	46%	0.462	S	S	*	.	H	α-helix	trans	-62.8	-47.2	-178	-44	0	0	0	0	111.6	D1318 F1322 I1323 E1324	D1318-T1320 PolarHBondContact O-N 2.98Å; T1320-F1322 VanDerWaalsContact C-N 3.35Å; T1320-F1322 PolarHBondContact O-N 3.15Å; T1320-I1323 PolarHBondContact O-N 3.45Å; T1320-E1324 PolarHBondContact O-N 2.72Å; T1320-E1324 VanDerWaalsContact O-N 3.09Å
1321	K	34.3	Very low	33.2	Very low	73 Å²	73	82.8 Å²	82.8	32%	0.317	47%	0.47	S	S	.	.	H	α-helix	trans	-69.4	-32.5	177.4	-65.8	179.8	-169.4	146.7	0	112.6	N1264 D1318 F1325	N1264-K1321 PolarHBondContact O-NZ 2.87Å; D1318-K1321 PolarHBondContact O-N 3.07Å; D1318-K1321 VanDerWaalsContact O-N 3.11Å; D1318-K1321 VanDerWaalsContact OD2-CD 3.28Å; D1318-K1321 WeakPolarHBondContact OD2-CD 3.41Å; D1318-K1321 WeakPolarHBondContact OD2-CE 3.26Å; D1318-K1321 IonicContact OD2-NZ 3.33Å; D1318-K1321 PolarHBondContact OD2-NZ 2.77Å; K1321-F1325 WeakPolarHBondContact O-CB 3.48Å; K1321-F1325 PolarHBondContact O-N 2.82Å
1322	F	36	Very low	33.1	Very low	92 Å²	92	82.2 Å²	82.2	40%	0.404	46%	0.462	S	S	.	.	H	α-helix	trans	-69.6	-36.7	176.2	-166.1	-102	0	0	0	111.9	D1318 Q1319 T1320 F1325 C1326	D1318-F1322 PolarHBondContact O-N 2.98Å; Q1319-F1322 PolarHBondContact O-N 2.87Å; T1320-F1322 VanDerWaalsContact C-N 3.35Å; T1320-F1322 PolarHBondContact O-N 3.15Å; F1322-F1325 HydrophobicContact CE2-CD1 4.41Å; F1322-F1325 WeakPolarHBondContact O-CB 3.39Å; F1322-F1325 PolarHBondContact O-N 3.26Å; F1322-C1326 PolarHBondContact O-N 3.35Å; F1322-C1326 PolarHBondContact O-SG 3.39Å
1323	I	35.6	Very low	32.8	Very low	80 Å²	80	86.9 Å²	86.9	41%	0.41	48%	0.48	S	S	.	.	H	α-helix	trans	-67.7	-41.8	174.1	-70.3	165.4	0	0	0	111.2	Q1319 T1320 F1325 C1326 G1327	Q1319-I1323 WeakPolarHBondContact O-CB 3.4Å; Q1319-I1323 WeakPolarHBondContact O-CD1 3.47Å; Q1319-I1323 VanDerWaalsContact O-CG1 3.25Å; Q1319-I1323 WeakPolarHBondContact O-CG1 3.48Å; Q1319-I1323 PolarHBondContact O-N 3.36Å; T1320-I1323 PolarHBondContact O-N 3.45Å; I1323-F1325 VanDerWaalsContact C-N 3.33Å; I1323-F1325 PolarHBondContact O-N 3.46Å; I1323-C1326 PolarHBondContact O-N 3.47Å; I1323-G1327 PolarHBondContact O-N 3.48Å
1324	E	40	Very low	32.5	Very low	137 Å²	137	88.5 Å²	88.5	64%	0.64	48%	0.477	S	S	*	.	H	α-helix	trans	-60.3	-41.5	172.5	-72.2	-177.7	140.7	0	0	112.1	T1320 G1327 S1328	T1320-E1324 PolarHBondContact O-N 2.72Å; T1320-E1324 VanDerWaalsContact O-N 3.09Å; E1324-G1327 PolarHBondContact O-N 3.01Å; E1324-S1328 PolarHBondContact O-OG 3.36Å
1325	F	36.8	Very low	32.3	Very low	61 Å²	61	89 Å²	89	27%	0.268	49%	0.491	S	S	.	.	H	α-helix	trans	-60.6	-50.4	174.3	173.4	-99.4	0	0	0	112.2	F1268 K1321 F1322 I1323 G1327 S1328	F1268-F1325 HydrophobicContact CZ-CD2 4.16Å; F1268-F1325 HydrophobicContact CZ-CE2 4.46Å; K1321-F1325 WeakPolarHBondContact O-CB 3.48Å; K1321-F1325 PolarHBondContact O-N 2.82Å; F1322-F1325 HydrophobicContact CE2-CD1 4.41Å; F1322-F1325 WeakPolarHBondContact O-CB 3.39Å; F1322-F1325 PolarHBondContact O-N 3.26Å; I1323-F1325 VanDerWaalsContact C-N 3.33Å; I1323-F1325 PolarHBondContact O-N 3.46Å; F1325-G1327 VanDerWaalsContact C-N 3.34Å; F1325-G1327 PolarHBondContact O-N 3.49Å; F1325-S1328 WeakPolarHBondContact O-CB 3.44Å; F1325-S1328 PolarHBondContact O-N 3.02Å; F1325-S1328 PolarHBondContact O-OG 2.78Å
1326	C	37.2	Very low	32	Very low	60 Å²	60	93.9 Å²	93.9	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-67.5	-29.4	-179.7	-72.2	0	0	0	0	113.7	F1322 I1323 S1328	F1322-C1326 PolarHBondContact O-N 3.35Å; F1322-C1326 PolarHBondContact O-SG 3.39Å; I1323-C1326 PolarHBondContact O-N 3.47Å; C1326-S1328 PolarHBondContact O-N 3.22Å
1327	G	36.2	Very low	31.6	Very low	70 Å²	70	98.3 Å²	98.3	72%	0.722	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-4.3	176.3	0	0	0	0	0	115.4	I1323 E1324 F1325	I1323-G1327 PolarHBondContact O-N 3.48Å; E1324-G1327 PolarHBondContact O-N 3.01Å; F1325-G1327 VanDerWaalsContact C-N 3.34Å; F1325-G1327 PolarHBondContact O-N 3.49Å
1328	S	37.3	Very low	31.3	Very low	87 Å²	87	99.4 Å²	99.4	61%	0.608	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-5.3	-172.5	-58.8	0	0	0	0	115.5	E1324 F1325 C1326	E1324-S1328 PolarHBondContact O-OG 3.36Å; F1325-S1328 WeakPolarHBondContact O-CB 3.44Å; F1325-S1328 PolarHBondContact O-N 3.02Å; F1325-S1328 PolarHBondContact O-OG 2.78Å; C1326-S1328 PolarHBondContact O-N 3.22Å
1329	I	35.2	Very low	30.9	Very low	79 Å²	79	103.6 Å²	103.6	41%	0.405	55%	0.552	S	S	.	*			trans	-129.5	107.2	-165.2	-53.6	-179.2	0	0	0	111.2	L1332	I1329-L1332 HydrophobicContact CG2-CD1 4.23Å
1330	P	32	Very low	30.7	Very low	107 Å²	107	108 Å²	108	70%	0.695	57%	0.57	S	S	*	*			trans	-86.6	-29.5	-165.5	-18.2	33.8	0	0	0	119.3
1331	D	30.9	Very low	30.3	Very low	118 Å²	118	110.9 Å²	110.9	63%	0.631	58%	0.582	S	S	*	*			trans	-130.1	101.1	-161	-81.7	-66.4	0	0	0	113.6
1332	L	27.1	Very low	29.8	Very low	39 Å²	39	114.6 Å²	114.6	20%	0.204	61%	0.605	C	S	.	*			trans	-149.4	138	-176.9	-96.8	171.4	0	0	0	110.5	I58 I1329 Y1354 D1355	I58-L1332 HydrophobicContact CD1-CB 4.47Å; I58-L1332 WeakPolarHBondContact CD1-O 3.09Å; I1329-L1332 HydrophobicContact CG2-CD1 4.23Å; L1332-Y1354 HydrophobicContact CD1-CD1 4.42Å; L1332-D1355 WeakPolarHBondContact CB-OD1 3.27Å; L1332-D1355 VanDerWaalsContact CB-OD2 3.25Å; L1332-D1355 WeakPolarHBondContact CB-OD2 3.44Å; L1332-D1355 VanDerWaalsContact CD2-OD2 3.23Å; L1332-D1355 WeakPolarHBondContact CD2-OD2 2.99Å
1333	K	24.6	Very low	29.2	Very low	153 Å²	153	115.6 Å²	115.6	67%	0.665	62%	0.624	S	S	*	*			trans	-156.6	150.3	-167.4	-72	-174.7	-179.4	162.4	0	114.8	D1355	K1333-D1355 PolarHBondContact N-OD2 3.39Å
1334	Y	24.5	Very low	28.6	Very low	104 Å²	104	120.2 Å²	120.2	41%	0.408	65%	0.645	S	S	.	*			trans	-84.7	157.2	-170.3	-155.6	-159.9	0	0	0	117.9	E1336 H1356	Y1334-E1336 HydrophobicContact CE1-CB 3.87Å; Y1334-E1336 HydrophobicContact CE1-CG 4.28Å; Y1334-E1336 HydrophobicContact CE2-CB 4.25Å; Y1334-E1336 WeakPolarHBondContact OH-CG 3.12Å; Y1334-E1336 PolarHBondContact OH-OE1 3.44Å; Y1334-H1356 VanDerWaalsContact CB-CD2 3.46Å; Y1334-H1356 WeakPolarHBondContact CB-CD2 3.38Å; Y1334-H1356 HydrophobicContact CD2-CB 3.62Å; Y1334-H1356 AromaticContact CD2-CD2 3.21Å; Y1334-H1356 WeakPolarHBondContact CD2-CD2 3.28Å; Y1334-H1356 AromaticContact CD2-CG 3.42Å; Y1334-H1356 VanDerWaalsContact CD2-CG 3.42Å; Y1334-H1356 HydrophobicContact CE1-CB 4.49Å; Y1334-H1356 HydrophobicContact CE2-CB 3.28Å; Y1334-H1356 AromaticContact CE2-CD2 3.85Å; Y1334-H1356 AromaticContact CE2-CG 3.54Å; Y1334-H1356 HydrophobicContact CG-CB 4.37Å; Y1334-H1356 AromaticContact CG-CD2 3.29Å; Y1334-H1356 AromaticContact CG-CG 3.69Å; Y1334-H1356 AromaticContact CZ-CG 3.86Å
1335	T	24.9	Very low	27.8	Very low	138 Å²	138	120 Å²	120	85%	0.847	65%	0.654	S	S	*	*			trans	-155.9	149.3	143	20.1	0	0	0	0	109.6
1336	E	22.7	Very low	27.1	Very low	125 Å²	125	125.9 Å²	125.9	58%	0.584	68%	0.679	S	S	*	*			trans	-123.4	143.4	-161.9	-173.2	176.7	-125	0	0	113.7	Y1334	Y1334-E1336 HydrophobicContact CE1-CB 3.87Å; Y1334-E1336 HydrophobicContact CE1-CG 4.28Å; Y1334-E1336 HydrophobicContact CE2-CB 4.25Å; Y1334-E1336 WeakPolarHBondContact OH-CG 3.12Å; Y1334-E1336 PolarHBondContact OH-OE1 3.44Å
1337	K	23.1	Very low	26.4	Very low	199 Å²	199	129.9 Å²	129.9	87%	0.865	69%	0.691	S	S	*	*			trans	-164.7	136.4	158.4	-137	174.7	-175.1	-179.7	0	113
1338	I	24.1	Very low	25.8	Very low	129 Å²	129	133.4 Å²	133.4	66%	0.662	69%	0.694	S	S	*	*			trans	-124.8	144.8	177.2	-60.3	173.5	0	0	0	109.4	F1340	I1338-F1340 HydrophobicContact CG2-CD2 4.13Å; I1338-F1340 HydrophobicContact CG2-CE2 4.04Å
1339	V	24.2	Very low	25.2	Very low	136 Å²	136	134.8 Å²	134.8	82%	0.824	70%	0.698	S	S	*	*			trans	-144.1	133.5	165	-178.2	0	0	0	0	108.9
1340	F	25.1	Very low	24.7	Very low	180 Å²	180	139.4 Å²	139.4	79%	0.789	72%	0.716	S	S	*	*			trans	-96.4	154	171.9	-80.6	-101.9	0	0	0	111.3	I1338	I1338-F1340 HydrophobicContact CG2-CD2 4.13Å; I1338-F1340 HydrophobicContact CG2-CE2 4.04Å
1341	N	24.2	Very low	24.4	Very low	162 Å²	162	140.2 Å²	140.2	87%	0.866	71%	0.713	S	S	*	*			trans	-171.2	160.1	138.7	-103.8	-6.2	0	0	0	111.3
1342	D	25	Very low	24.1	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	70%	0.702	S	S	*	*			trans	-78.1	166.6	-164.5	-77.2	-63.5	0	0	0	117.3
1343	S	22.2	Very low	24	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	70%	0.703	S	S	*	*			trans	80.4	155.1	164.9	82.3	0	0	0	0	118.5
1344	M	22.8	Very low	24.2	Very low	176 Å²	176	137.2 Å²	137.2	87%	0.867	70%	0.698	S	S	*	*	S	Bend	trans	68.9	117.4	179.7	-62.3	-148.7	166	0	0	118.9
1345	V	23.1	Very low	24.2	Very low	134 Å²	134	133.4 Å²	133.4	81%	0.812	69%	0.685	S	S	*	*			trans	-19.8	123.6	165	-175.7	0	0	0	0	115.6
1346	K	22.4	Very low	24.4	Very low	184 Å²	184	129.7 Å²	129.7	80%	0.8	66%	0.658	S	S	*	*			trans	-133.5	138.1	161.8	-72.8	-179.1	-178.5	165.7	0	111.8
1347	H	22.6	Very low	24.5	Very low	143 Å²	143	129 Å²	129	66%	0.662	66%	0.657	S	S	*	*			trans	-73.7	123.3	164.3	-74.4	-89.1	0	0	0	108.8	T1349	H1347-T1349 PolarHBondContact O-N 3.45Å; H1347-T1349 VanDerWaalsContact O-N 3.13Å
1348	N	24.5	Very low	24.5	Very low	145 Å²	145	127.5 Å²	127.5	78%	0.775	65%	0.651	S	S	*	*			trans	-83.2	87.6	173.3	-74.6	-6.5	0	0	0	110.4
1349	T	23.9	Very low	24.6	Very low	115 Å²	115	128.4 Å²	128.4	71%	0.706	66%	0.655	S	S	*	*			trans	-76.4	124.7	162.4	-54.4	0	0	0	0	108.6	H1347 I1351	H1347-T1349 PolarHBondContact O-N 3.45Å; H1347-T1349 VanDerWaalsContact O-N 3.13Å; T1349-I1351 PolarHBondContact O-N 2.89Å
1350	F	26.2	Very low	24.6	Very low	176 Å²	176	126.9 Å²	126.9	77%	0.772	64%	0.641	S	S	*	*			trans	-67.9	123.9	176.4	-69.2	-91.6	0	0	0	110.7
1351	I	23.9	Very low	24.5	Very low	125 Å²	125	124.9 Å²	124.9	64%	0.641	64%	0.638	S	S	*	*			trans	-109.9	128.2	171.3	-60.1	176.6	0	0	0	107.2	T1349 T1353	T1349-I1351 PolarHBondContact O-N 2.89Å; I1351-T1353 HydrophobicContact CG2-CG2 4.1Å
1352	V	25.5	Very low	24.5	Very low	66 Å²	66	123.6 Å²	123.6	40%	0.4	63%	0.627	S	S	.	*			trans	-100.9	107.9	-178.7	178	0	0	0	0	109.4	E1293 I1294	E1293-V1352 WeakPolarHBondContact CA-O 3.33Å; I1294-V1352 HydrophobicContact CB-CG1 4.38Å; I1294-V1352 PolarHBondContact N-O 3.45Å
1353	T	24.8	Very low	24.5	Very low	37 Å²	37	122.7 Å²	122.7	23%	0.227	62%	0.618	C	S	.	*			trans	-129.2	126.4	170.2	63.8	0	0	0	0	111.2	R1292 E1293 I1351 I1357	R1292-T1353 WeakPolarHBondContact O-CA 3.26Å; R1292-T1353 WeakPolarHBondContact O-CB 3.19Å; R1292-T1353 WeakPolarHBondContact O-CG2 3.44Å; E1293-T1353 HydrophobicContact CG-CG2 3.83Å; I1351-T1353 HydrophobicContact CG2-CG2 4.1Å; T1353-I1357 WeakPolarHBondContact OG1-CD1 3.38Å
1354	Y	28.3	Very low	24.7	Very low	143 Å²	143	120.1 Å²	120.1	56%	0.561	60%	0.598	S	S	*	*			trans	-89.7	145.3	159	-105.9	-117.4	0	0	0	107.9	L1332	L1332-Y1354 HydrophobicContact CD1-CD1 4.42Å
1355	D	25.9	Very low	24.7	Very low	24 Å²	24	116.1 Å²	116.1	13%	0.128	58%	0.583	C	S	.	*	S	Bend	cis	-99.3	172.2	6.4	-60.3	-58.6	0	0	0	115	L1332 K1333 I1357	L1332-D1355 WeakPolarHBondContact CB-OD1 3.27Å; L1332-D1355 VanDerWaalsContact CB-OD2 3.25Å; L1332-D1355 WeakPolarHBondContact CB-OD2 3.44Å; L1332-D1355 VanDerWaalsContact CD2-OD2 3.23Å; L1332-D1355 WeakPolarHBondContact CD2-OD2 2.99Å; K1333-D1355 PolarHBondContact N-OD2 3.39Å; D1355-I1357 VanDerWaalsContact C-N 3.3Å; D1355-I1357 PolarHBondContact O-N 3.03Å
1356	H	27.4	Very low	25	Very low	61 Å²	61	112.3 Å²	112.3	28%	0.282	56%	0.56	S	S	.	*	S	Bend	trans	65	11.5	166.8	-64.6	-89.8	0	0	0	117.7	I58 S60 Y1334 K1358	I58-H1356 WeakPolarHBondContact CG2-NE2 3.41Å; S60-H1356 WeakPolarHBondContact CB-CE1 3.28Å; Y1334-H1356 VanDerWaalsContact CB-CD2 3.46Å; Y1334-H1356 WeakPolarHBondContact CB-CD2 3.38Å; Y1334-H1356 HydrophobicContact CD2-CB 3.62Å; Y1334-H1356 AromaticContact CD2-CD2 3.21Å; Y1334-H1356 WeakPolarHBondContact CD2-CD2 3.28Å; Y1334-H1356 AromaticContact CD2-CG 3.42Å; Y1334-H1356 VanDerWaalsContact CD2-CG 3.42Å; Y1334-H1356 HydrophobicContact CE1-CB 4.49Å; Y1334-H1356 HydrophobicContact CE2-CB 3.28Å; Y1334-H1356 AromaticContact CE2-CD2 3.85Å; Y1334-H1356 AromaticContact CE2-CG 3.54Å; Y1334-H1356 HydrophobicContact CG-CB 4.37Å; Y1334-H1356 AromaticContact CG-CD2 3.29Å; Y1334-H1356 AromaticContact CG-CG 3.69Å; Y1334-H1356 AromaticContact CZ-CG 3.86Å; H1356-K1358 PolarHBondContact O-N 2.66Å
1357	I	26.1	Very low	25.2	Very low	109 Å²	109	108.2 Å²	108.2	56%	0.559	55%	0.547	S	S	*	.			trans	-94.3	93.7	174	-52.4	-152	0	0	0	112.5	T1353 D1355 I1359	T1353-I1357 WeakPolarHBondContact OG1-CD1 3.38Å; D1355-I1357 VanDerWaalsContact C-N 3.3Å; D1355-I1357 PolarHBondContact O-N 3.03Å; I1357-I1359 PolarHBondContact O-N 3.1Å
1358	K	23.5	Very low	25.4	Very low	169 Å²	169	104.6 Å²	104.6	74%	0.735	55%	0.548	S	S	*	.			trans	-23.6	105.5	159.8	-161.5	177.8	-176.6	177.3	0	114.4	H1356 I1360	H1356-K1358 PolarHBondContact O-N 2.66Å; K1358-I1360 VanDerWaalsContact C-N 3.34Å; K1358-I1360 HydrophobicContact CD-CD1 4.01Å; K1358-I1360 HydrophobicContact CD-CG1 3.98Å; K1358-I1360 HydrophobicContact CG-CD1 4.39Å; K1358-I1360 HydrophobicContact CG-CG1 3.8Å; K1358-I1360 PolarHBondContact O-N 3.22Å
1359	I	25.1	Very low	25.5	Very low	147 Å²	147	98.9 Å²	98.9	75%	0.754	52%	0.519	S	S	*	.			trans	-73.9	90.5	164.9	-58.4	179	0	0	0	108.1	I1357 L1361	I1357-I1359 PolarHBondContact O-N 3.1Å; I1359-L1361 VanDerWaalsContact C-N 3.33Å; I1359-L1361 HydrophobicContact CG2-CG 4.38Å; I1359-L1361 PolarHBondContact O-N 2.97Å; I1359-L1361 VanDerWaalsContact O-N 3.09Å
1360	I	24.1	Very low	25.6	Very low	104 Å²	104	97.9 Å²	97.9	53%	0.533	51%	0.509	S	S	.	.			trans	-76	92.3	163.9	-54.9	-177.6	0	0	0	107.2	K1358 E1362	K1358-I1360 VanDerWaalsContact C-N 3.34Å; K1358-I1360 HydrophobicContact CD-CD1 4.01Å; K1358-I1360 HydrophobicContact CD-CG1 3.98Å; K1358-I1360 HydrophobicContact CG-CD1 4.39Å; K1358-I1360 HydrophobicContact CG-CG1 3.8Å; K1358-I1360 PolarHBondContact O-N 3.22Å; I1360-E1362 HydrophobicContact CG2-CG 4.18Å; I1360-E1362 PolarHBondContact O-N 2.94Å
1361	L	23.9	Very low	25.6	Very low	138 Å²	138	96.9 Å²	96.9	72%	0.723	51%	0.505	S	S	*	.			trans	-62.3	111.6	146.4	-74.8	168	0	0	0	105.7	I1359 E1363	I1359-L1361 VanDerWaalsContact C-N 3.33Å; I1359-L1361 HydrophobicContact CG2-CG 4.38Å; I1359-L1361 PolarHBondContact O-N 2.97Å; I1359-L1361 VanDerWaalsContact O-N 3.09Å; L1361-E1363 PolarHBondContact O-N 3.06Å
1362	E	24.5	Very low	25.7	Very low	136 Å²	136	93.9 Å²	93.9	64%	0.636	50%	0.495	S	S	*	.			trans	-62.7	111.3	179.5	-68.8	-177.5	147.7	0	0	109.4	I1360 V1364	I1360-E1362 HydrophobicContact CG2-CG 4.18Å; I1360-E1362 PolarHBondContact O-N 2.94Å; E1362-V1364 HydrophobicContact CB-CG2 3.8Å; E1362-V1364 PolarHBondContact O-N 2.72Å
1363	E	23.5	Very low	25.7	Very low	131 Å²	131	97 Å²	97	61%	0.612	51%	0.509	S	S	*	.			trans	-65.2	82.3	157.9	-73.7	-167	122.7	0	0	107.3	L1361 T1365	L1361-E1363 PolarHBondContact O-N 3.06Å; E1363-T1365 PolarHBondContact O-N 3.21Å
1364	V	26	Very low	25.9	Very low	60 Å²	60	98.6 Å²	98.6	36%	0.364	52%	0.521	S	S	.	.			trans	-69.9	86.7	178	-174.5	0	0	0	0	108.7	E1362 V1366	E1362-V1364 HydrophobicContact CB-CG2 3.8Å; E1362-V1364 PolarHBondContact O-N 2.72Å; V1364-V1366 HydrophobicContact CG1-CG2 3.98Å; V1364-V1366 PolarHBondContact O-N 3.41Å
1365	T	24.5	Very low	25.9	Very low	92 Å²	92	94.6 Å²	94.6	56%	0.564	51%	0.507	S	S	*	.			trans	-72.4	72.8	177.5	38.6	0	0	0	0	111.1	E1363 N1367	E1363-T1365 PolarHBondContact O-N 3.21Å; T1365-N1367 PolarHBondContact O-N 2.95Å
1366	V	28.1	Very low	25.9	Very low	53 Å²	53	98.2 Å²	98.2	32%	0.321	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-63.4	106	167.8	-173.7	0	0	0	0	108.1	V1364 G1368 S1369	V1364-V1366 HydrophobicContact CG1-CG2 3.98Å; V1364-V1366 PolarHBondContact O-N 3.41Å; V1366-G1368 VanDerWaalsContact C-N 3.33Å; V1366-G1368 PolarHBondContact O-N 3.36Å; V1366-S1369 WeakPolarHBondContact O-CB 3.48Å; V1366-S1369 PolarHBondContact O-N 3.46Å
1367	N	27.8	Very low	25.8	Very low	99 Å²	99	99.3 Å²	99.3	53%	0.529	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	53	-179.7	-59.8	10.2	0	0	0	112.9	T1365 S1369	T1365-N1367 PolarHBondContact O-N 2.95Å; N1367-S1369 PolarHBondContact O-N 2.97Å; N1367-S1369 VanDerWaalsContact O-N 3.08Å
1368	G	26.8	Very low	25.8	Very low	66 Å²	66	101 Å²	101	68%	0.68	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	70	1.8	177.3	0	0	0	0	0	116.1	V1366	V1366-G1368 VanDerWaalsContact C-N 3.33Å; V1366-G1368 PolarHBondContact O-N 3.36Å
1369	S	25.5	Very low	25.8	Very low	26 Å²	26	98.6 Å²	98.6	18%	0.182	55%	0.545	C	S	.	.	B	Isolated β-bridge	trans	-87.3	110.4	179.3	-67.9	0	0	0	0	111.7	V1366 N1367 F1371	V1366-S1369 WeakPolarHBondContact O-CB 3.48Å; V1366-S1369 PolarHBondContact O-N 3.46Å; N1367-S1369 PolarHBondContact O-N 2.97Å; N1367-S1369 VanDerWaalsContact O-N 3.08Å; S1369-F1371 PolarHBondContact O-N 2.61Å; S1369-F1371 VanDerWaalsContact O-N 3.12Å
1370	L	26.6	Very low	25.9	Very low	94 Å²	94	100.5 Å²	100.5	49%	0.492	54%	0.544	S	S	.	.			trans	-79.5	93.6	-178.3	-161.1	159.8	0	0	0	111.1
1371	F	25.7	Very low	25.9	Very low	155 Å²	155	98.5 Å²	98.5	68%	0.68	55%	0.549	S	S	*	.			trans	-75.4	126.6	175.1	-106.8	-83.1	0	0	0	111.6	S1369	S1369-F1371 PolarHBondContact O-N 2.61Å; S1369-F1371 VanDerWaalsContact O-N 3.12Å
1372	S	26.1	Very low	25.9	Very low	61 Å²	61	96 Å²	96	43%	0.427	54%	0.536	S	S	.	.			trans	-102.7	134.5	174.2	178.5	0	0	0	0	110.7	S1374 E1375	S1372-S1374 WeakPolarHBondContact CB-OG 3.5Å; S1372-S1374 PolarHBondContact O-N 3.29Å; S1372-S1374 WeakPolarHBondContact OG-CB 3.31Å; S1372-S1374 PolarHBondContact OG-N 3.43Å; S1372-S1374 PolarHBondContact OG-OG 3.2Å; S1372-E1375 WeakPolarHBondContact O-CG 3.22Å; S1372-E1375 PolarHBondContact O-N 2.84Å; S1372-E1375 VanDerWaalsContact O-N 3.1Å
1373	L	25.7	Very low	25.9	Very low	133 Å²	133	96.5 Å²	96.5	70%	0.696	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-61.6	-7.6	171.9	-80.6	160.4	0	0	0	113.7	E1375	L1373-E1375 PolarHBondContact O-N 3.21Å
1374	S	27.9	Very low	25.9	Very low	69 Å²	69	95.4 Å²	95.4	48%	0.483	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-68.7	-6.5	168.7	68.1	0	0	0	0	114.8	S1372 C1376	S1372-S1374 WeakPolarHBondContact CB-OG 3.5Å; S1372-S1374 PolarHBondContact O-N 3.29Å; S1372-S1374 WeakPolarHBondContact OG-CB 3.31Å; S1372-S1374 PolarHBondContact OG-N 3.43Å; S1372-S1374 PolarHBondContact OG-OG 3.2Å; S1374-C1376 PolarHBondContact O-N 3.3Å
1375	E	29.2	Very low	25.8	Very low	59 Å²	59	99.2 Å²	99.2	28%	0.276	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-78	7.4	177	-68.4	-108	134.7	0	0	114.2	R273 Y295 R407 S1372 L1373 D1377	R273-E1375 IonicContact NH2-OE1 2.72Å; Y295-E1375 PolarHBondContact OH-OE1 2.96Å; R407-E1375 IonicContact CZ-OE2 2.7Å; R407-E1375 IonicContact NH2-OE1 2.68Å; R407-E1375 IonicContact NH2-OE2 2.95Å; R407-E1375 PolarHBondContact NH2-OE2 3.24Å; S1372-E1375 WeakPolarHBondContact O-CG 3.22Å; S1372-E1375 PolarHBondContact O-N 2.84Å; S1372-E1375 VanDerWaalsContact O-N 3.1Å; L1373-E1375 PolarHBondContact O-N 3.21Å; E1375-D1377 PolarHBondContact O-N 3.07Å
1376	C	25.7	Very low	25.9	Very low	100 Å²	100	102.7 Å²	102.7	68%	0.676	57%	0.568	S	S	*	*			trans	-69.1	90.9	170.2	-76.6	0	0	0	0	111.6	S1374 I1378	S1374-C1376 PolarHBondContact O-N 3.3Å; C1376-I1378 PolarHBondContact O-N 2.72Å
1377	D	25.7	Very low	25.8	Very low	84 Å²	84	108.8 Å²	108.8	45%	0.449	59%	0.593	S	S	.	*			trans	-60.4	88.2	179.2	-95.1	-48.2	0	0	0	113.1	R407 E1375 L1379	R407-D1377 IonicContact NH1-OD2 2.72Å; E1375-D1377 PolarHBondContact O-N 3.07Å; D1377-L1379 PolarHBondContact O-N 2.77Å; D1377-L1379 VanDerWaalsContact O-N 3.11Å
1378	I	25.2	Very low	25.7	Very low	146 Å²	146	109.2 Å²	109.2	75%	0.749	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-60.9	-14.4	169.4	-71.3	171.6	0	0	0	111.9	C1376	C1376-I1378 PolarHBondContact O-N 2.72Å
1379	L	25.3	Very low	25.6	Very low	118 Å²	118	112.5 Å²	112.5	62%	0.618	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-84	-3.8	-172.1	-97.5	155.7	0	0	0	116.4	D1377 G1381 I1382	D1377-L1379 PolarHBondContact O-N 2.77Å; D1377-L1379 VanDerWaalsContact O-N 3.11Å; L1379-G1381 VanDerWaalsContact C-N 3.26Å; L1379-G1381 PolarHBondContact O-N 3.33Å; L1379-I1382 HydrophobicContact CD2-CD1 4.38Å
1380	Y	25.7	Very low	25.6	Very low	186 Å²	186	119.9 Å²	119.9	73%	0.729	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-75.8	-9.1	177.4	-116	-81.4	0	0	0	114.7	I1382	Y1380-I1382 VanDerWaalsContact C-N 3.29Å; Y1380-I1382 PolarHBondContact O-N 3.34Å
1381	G	23.7	Very low	25.5	Very low	63 Å²	63	125.7 Å²	125.7	65%	0.649	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-72.4	-11.5	-178.6	0	0	0	0	0	116.1	L1379	L1379-G1381 VanDerWaalsContact C-N 3.26Å; L1379-G1381 PolarHBondContact O-N 3.33Å
1382	I	24.3	Very low	25.7	Very low	86 Å²	86	123.7 Å²	123.7	44%	0.441	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-99	-13.7	-170.5	-67.2	165.9	0	0	0	112.8	L1379 Y1380 W1429	L1379-I1382 HydrophobicContact CD2-CD1 4.38Å; Y1380-I1382 VanDerWaalsContact C-N 3.29Å; Y1380-I1382 PolarHBondContact O-N 3.34Å; I1382-W1429 HydrophobicContact CD1-CZ2 3.62Å; I1382-W1429 HydrophobicContact CG1-CZ2 4.19Å
1383	K	24.4	Very low	25.6	Very low	146 Å²	146	129.5 Å²	129.5	64%	0.635	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-91	-3.9	-174.2	-107.9	-173.8	176.1	-172.8	0	116.8	I1385	K1383-I1385 VanDerWaalsContact C-N 3.34Å
1384	C	23.7	Very low	25.5	Very low	107 Å²	107	129 Å²	129	72%	0.723	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-84.1	-1.6	177.8	-62.8	0	0	0	0	114.6
1385	I	24.5	Very low	25.6	Very low	140 Å²	140	132.3 Å²	132.3	72%	0.718	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-89.4	1.2	-174.5	-63.9	175.6	0	0	0	112.6	K1383	K1383-I1385 VanDerWaalsContact C-N 3.34Å
1386	Q	26.3	Very low	25.4	Very low	165 Å²	165	136.5 Å²	136.5	77%	0.771	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-120	15.2	-173.1	-76.2	-174.6	-41.2	0	0	116.3
1387	Q	25.9	Very low	25.3	Very low	182 Å²	182	139 Å²	139	85%	0.85	73%	0.729	S	S	*	*	S	Bend	trans	-125.4	21.8	-178.5	-69.2	-164.8	-32.4	0	0	116.1
1388	T	25.1	Very low	25.4	Very low	107 Å²	107	142.1 Å²	142.1	66%	0.656	75%	0.75	S	S	*	*	S	Bend	trans	-104.6	9.7	178.7	44.6	0	0	0	0	115.2	N846	N846-T1388 PolarHBondContact ND2-O 3.07Å
1389	K	25.2	Very low	25.4	Very low	136 Å²	136	143.2 Å²	143.2	59%	0.591	75%	0.752	S	S	*	*	S	Bend	trans	-107.4	146.5	170.4	-59.1	-169.4	-172.3	-155.7	0	110.1	T845	T845-K1389 HydrophobicContact CG2-CD 4.01Å; T845-K1389 WeakPolarHBondContact OG1-CE 3.37Å; T845-K1389 PolarHBondContact OG1-NZ 3.35Å
1390	Q	26.3	Very low	25.3	Very low	180 Å²	180	143 Å²	143	84%	0.841	76%	0.756	S	S	*	*			trans	76.2	67.7	-177.5	-56.3	-174	-9.6	0	0	117.1
1391	K	24.7	Very low	25.3	Very low	217 Å²	217	140.7 Å²	140.7	94%	0.943	76%	0.756	S	S	*	*			trans	-131.5	87	137.7	-92.7	-165.7	175.2	-178.4	0	110.3
1392	S	28.3	Very low	25.4	Very low	113 Å²	113	144.5 Å²	144.5	79%	0.79	76%	0.762	S	S	*	*			trans	-132.3	127	168.6	52.5	0	0	0	0	109.4
1393	M	24.2	Very low	25.7	Very low	183 Å²	183	148.5 Å²	148.5	90%	0.901	78%	0.782	S	S	*	*			trans	-45	165.6	-176.8	-83.7	170.7	155.6	0	0	117.9
1394	P	24.6	Very low	25.9	Very low	122 Å²	122	146.6 Å²	146.6	79%	0.792	79%	0.794	S	S	*	*			trans	-77	144.8	-174	32.3	-37.3	0	0	0	113.7
1395	T	29	Very low	26	Very low	139 Å²	139	149.3 Å²	149.3	85%	0.853	79%	0.794	S	S	*	*			trans	-156.6	136.9	153.1	24.3	0	0	0	0	108.4
1396	D	25.1	Very low	26.3	Very low	146 Å²	146	147.2 Å²	147.2	78%	0.781	78%	0.784	S	S	*	*			trans	-72	156.6	177.2	-56.5	-82.6	0	0	0	113
1397	N	24.7	Very low	26.3	Very low	154 Å²	154	143.3 Å²	143.3	82%	0.824	77%	0.773	S	S	*	*			trans	57	110.9	159.9	-58.6	-46.8	0	0	0	118.9
1398	V	27.2	Very low	26.3	Very low	148 Å²	148	142 Å²	142	90%	0.897	76%	0.764	S	S	*	*				-172.7	157.5	116.2	142.9	0	0	0	0	109.5
1399	Q	25.2	Very low	26.7	Very low	169 Å²	169	142.2 Å²	142.2	79%	0.79	76%	0.758	S	S	*	*			trans	-100.9	149.8	-166.7	-59.6	176.6	-56.5	0	0	114.3
1400	T	23.2	Very low	27.1	Very low	115 Å²	115	140.6 Å²	140.6	71%	0.706	75%	0.748	S	S	*	*			trans	61.1	128.6	139.8	50.5	0	0	0	0	122.7
1401	N	26.1	Very low	27.1	Very low	136 Å²	136	138 Å²	138	73%	0.727	74%	0.735	S	S	*	*			trans	96.4	142.4	140.6	-63.2	0.1	0	0	0	121.1
1402	D	26.3	Very low	27.6	Very low	143 Å²	143	131.9 Å²	131.9	77%	0.765	71%	0.711	S	S	*	*			trans	59.2	100.2	157.6	-53.8	-26.9	0	0	0	120.5
1403	I	30.1	Very low	27.9	Very low	171 Å²	171	131.2 Å²	131.2	88%	0.877	70%	0.696	S	S	*	*				-171.1	132	110.7	-90.9	151.8	0	0	0	108.6
1404	A	27.6	Very low	28.2	Very low	105 Å²	105	124.5 Å²	124.5	87%	0.868	67%	0.665	S	S	*	*			trans	-93.6	114	-177.2	0	0	0	0	0	112.1
1405	F	25.9	Very low	28.5	Very low	165 Å²	165	122 Å²	122	72%	0.724	65%	0.649	S	S	*	*			trans	-93.9	131.4	173.5	-168.4	-93.9	0	0	0	110.4	P1407	F1405-P1407 HydrophobicContact CD1-CG 4.4Å; F1405-P1407 WeakPolarHBondContact O-CD 3.3Å
1406	N	31.2	Very low	28.7	Very low	95 Å²	95	121 Å²	121	51%	0.508	64%	0.639	S	S	.	*			trans	-107.5	102.5	179.5	179.8	5.8	0	0	0	111	F1408 Q1409	N1406-F1408 PolarHBondContact O-N 3.25Å; N1406-F1408 WeakPolarHBondContact OD1-CB 3.09Å; N1406-F1408 PolarHBondContact OD1-N 3.45Å; N1406-Q1409 PolarHBondContact O-N 2.83Å
1407	P	25.6	Very low	29.2	Very low	83 Å²	83	122.2 Å²	122.2	54%	0.539	64%	0.637	S	S	.	*	H	α-helix	trans	-64.4	-23.1	-176.1	-21.7	33.8	0	0	0	114.4	F1405 F1411	F1405-P1407 HydrophobicContact CD1-CG 4.4Å; F1405-P1407 WeakPolarHBondContact O-CD 3.3Å; P1407-F1411 WeakPolarHBondContact O-CB 3.36Å; P1407-F1411 PolarHBondContact O-N 3.45Å
1408	F	27.3	Very low	29.5	Very low	155 Å²	155	121.1 Å²	121.1	68%	0.68	63%	0.631	S	S	*	*	H	α-helix	trans	-70.7	-31.4	-175.3	-119.6	-88.6	0	0	0	113	N1406 I1412	N1406-F1408 PolarHBondContact O-N 3.25Å; N1406-F1408 WeakPolarHBondContact OD1-CB 3.09Å; N1406-F1408 PolarHBondContact OD1-N 3.45Å; F1408-I1412 HydrophobicContact CD1-CD1 4.44Å; F1408-I1412 WeakPolarHBondContact O-CG1 3.3Å; F1408-I1412 PolarHBondContact O-N 3.47Å
1409	Q	33.9	Very low	29.5	Very low	112 Å²	112	120.4 Å²	120.4	52%	0.523	62%	0.622	S	S	.	*	H	α-helix	trans	-69.1	-51.6	179.4	-171.3	88.7	24.2	0	0	110.6	N1406 F1411 I1412 E1413	N1406-Q1409 PolarHBondContact O-N 2.83Å; Q1409-F1411 VanDerWaalsContact C-N 3.32Å; Q1409-F1411 PolarHBondContact O-N 3.25Å; Q1409-I1412 PolarHBondContact O-N 3.24Å; Q1409-E1413 WeakPolarHBondContact CG-OE1 3.33Å; Q1409-E1413 PolarHBondContact NE2-OE1 3.07Å; Q1409-E1413 PolarHBondContact O-N 3.25Å
1410	W	33.6	Very low	29.9	Very low	101 Å²	101	119.9 Å²	119.9	38%	0.383	63%	0.625	S	S	.	*	H	α-helix	trans	-62.3	-37.4	179.7	179.4	73.1	0	0	0	112.6	H841 E1413 T1414	H841-W1410 HydrophobicContact CB-CZ2 4.34Å; H841-W1410 AromaticContact CD2-CZ2 3.96Å; H841-W1410 AromaticContact CD2-NE1 3.73Å; H841-W1410 AromaticContact CE1-NE1 3.33Å; H841-W1410 PolarHBondContact CE1-NE1 3.46Å; H841-W1410 VanDerWaalsContact CE1-NE1 3.33Å; H841-W1410 AromaticContact CG-CZ2 3.88Å; H841-W1410 AromaticContact ND1-NE1 3.99Å; H841-W1410 AromaticContact NE2-CE2 3.97Å; H841-W1410 AromaticContact NE2-NE1 3.12Å; H841-W1410 PolarHBondContact NE2-NE1 2.94Å; H841-W1410 VanDerWaalsContact NE2-NE1 3.12Å; W1410-E1413 PolarHBondContact O-N 3.39Å; W1410-T1414 WeakPolarHBondContact O-CB 3.34Å; W1410-T1414 PolarHBondContact O-N 3.01Å; W1410-T1414 PolarHBondContact O-OG1 3.32Å
1411	F	26.3	Very low	30.1	Very low	127 Å²	127	123.7 Å²	123.7	56%	0.557	63%	0.634	S	S	*	*	H	α-helix	trans	-60.6	-45.7	176.2	-175.2	-101.5	0	0	0	111.9	P1407 Q1409 T1414 C1415	P1407-F1411 WeakPolarHBondContact O-CB 3.36Å; P1407-F1411 PolarHBondContact O-N 3.45Å; Q1409-F1411 VanDerWaalsContact C-N 3.32Å; Q1409-F1411 PolarHBondContact O-N 3.25Å; F1411-T1414 PolarHBondContact O-N 3.46Å; F1411-C1415 PolarHBondContact O-N 2.72Å; F1411-C1415 PolarHBondContact O-SG 3.49Å; F1411-C1415 VanDerWaalsContact O-SG 3.35Å
1412	I	34.1	Very low	30.2	Very low	87 Å²	87	120.2 Å²	120.2	45%	0.446	62%	0.624	S	S	.	*	H	α-helix	trans	-65.8	-43.3	177.2	-67.8	170.2	0	0	0	111.1	F1408 Q1409 T1414 C1415 N1416	F1408-I1412 HydrophobicContact CD1-CD1 4.44Å; F1408-I1412 WeakPolarHBondContact O-CG1 3.3Å; F1408-I1412 PolarHBondContact O-N 3.47Å; Q1409-I1412 PolarHBondContact O-N 3.24Å; I1412-T1414 VanDerWaalsContact C-N 3.28Å; I1412-T1414 PolarHBondContact O-N 3.07Å; I1412-C1415 PolarHBondContact O-N 3.25Å; I1412-N1416 WeakPolarHBondContact O-CB 3.46Å; I1412-N1416 PolarHBondContact O-N 2.83Å; I1412-N1416 PolarHBondContact O-ND2 3.01Å
1413	E	35.5	Very low	30.2	Very low	100 Å²	100	123.1 Å²	123.1	47%	0.467	63%	0.633	S	S	.	*	H	α-helix	trans	-68.2	-25.3	178.6	-70.9	172.4	-160.9	0	0	113.2	Q1409 W1410 K1417	Q1409-E1413 WeakPolarHBondContact CG-OE1 3.33Å; Q1409-E1413 PolarHBondContact NE2-OE1 3.07Å; Q1409-E1413 PolarHBondContact O-N 3.25Å; W1410-E1413 PolarHBondContact O-N 3.39Å; E1413-K1417 WeakPolarHBondContact O-CG 3.29Å
1414	T	30.9	Very low	30	Very low	41 Å²	41	118.6 Å²	118.6	25%	0.252	63%	0.629	S	S	.	*	H	α-helix	trans	-78.4	-45.6	172.3	-55.1	0	0	0	0	111.4	W1410 F1411 I1412 N1416 K1417	W1410-T1414 WeakPolarHBondContact O-CB 3.34Å; W1410-T1414 PolarHBondContact O-N 3.01Å; W1410-T1414 PolarHBondContact O-OG1 3.32Å; F1411-T1414 PolarHBondContact O-N 3.46Å; I1412-T1414 VanDerWaalsContact C-N 3.28Å; I1412-T1414 PolarHBondContact O-N 3.07Å; T1414-N1416 VanDerWaalsContact C-N 3.26Å; T1414-N1416 PolarHBondContact O-N 2.76Å; T1414-K1417 PolarHBondContact O-N 3.17Å; T1414-K1417 VanDerWaalsContact O-N 3.14Å
1415	C	30.4	Very low	30	Very low	70 Å²	70	121.1 Å²	121.1	47%	0.473	63%	0.626	S	S	.	*	H	α-helix	trans	-60.8	-33.9	176.8	-72	0	0	0	0	112.7	F1411 I1412 K1417	F1411-C1415 PolarHBondContact O-N 2.72Å; F1411-C1415 PolarHBondContact O-SG 3.49Å; F1411-C1415 VanDerWaalsContact O-SG 3.35Å; I1412-C1415 PolarHBondContact O-N 3.25Å; C1415-K1417 PolarHBondContact O-N 3.06Å
1416	N	33.7	Very low	29.9	Very low	119 Å²	119	118.5 Å²	118.5	64%	0.636	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-1.3	178.2	-70.7	-19.8	0	0	0	114.8	I1412 T1414	I1412-N1416 WeakPolarHBondContact O-CB 3.46Å; I1412-N1416 PolarHBondContact O-N 2.83Å; I1412-N1416 PolarHBondContact O-ND2 3.01Å; T1414-N1416 VanDerWaalsContact C-N 3.26Å; T1414-N1416 PolarHBondContact O-N 2.76Å
1417	K	35.3	Very low	29.6	Very low	171 Å²	171	124.7 Å²	124.7	74%	0.743	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-8.7	-177.9	-77.1	-178.7	177.2	-178.5	0	115.4	E1413 T1414 C1415	E1413-K1417 WeakPolarHBondContact O-CG 3.29Å; T1414-K1417 PolarHBondContact O-N 3.17Å; T1414-K1417 VanDerWaalsContact O-N 3.14Å; C1415-K1417 PolarHBondContact O-N 3.06Å
1418	L	29.3	Very low	29.6	Very low	130 Å²	130	129.3 Å²	129.3	68%	0.681	65%	0.651	S	S	*	*			trans	-109.1	50.1	-172.4	-72.2	166.6	0	0	0	112.3
1419	N	29.2	Very low	29.3	Very low	134 Å²	134	131.2 Å²	131.2	72%	0.717	65%	0.654	S	S	*	*			trans	-95.8	0.7	-154.7	-152.2	52.9	0	0	0	116.8
1420	D	31.8	Very low	28.7	Very low	158 Å²	158	129.6 Å²	129.6	85%	0.845	66%	0.655	S	S	*	*	S	Bend	trans	-124.5	-13.7	-172.6	-75.2	-68	0	0	0	116.5
1421	E	29.1	Very low	28.3	Very low	194 Å²	194	134.6 Å²	134.6	91%	0.907	68%	0.68	S	S	*	*	S	Bend	trans	-111.3	2.5	-177.1	-65.4	-166.9	131.7	0	0	114.9	Q1423	E1421-Q1423 PolarHBondContact O-N 3.22Å
1422	A	27.7	Very low	28.4	Very low	63 Å²	63	135 Å²	135	52%	0.521	69%	0.686	S	S	.	*			trans	-88	13.1	-162.6	0	0	0	0	0	117.3	G1424	A1422-G1424 PolarHBondContact O-N 3.42Å; A1422-G1424 VanDerWaalsContact O-N 3.14Å
1423	Q	26.4	Very low	28.1	Very low	205 Å²	205	137.5 Å²	137.5	96%	0.958	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-4	-174.8	-75.4	-167	-9.5	0	0	115.8	E1421	E1421-Q1423 PolarHBondContact O-N 3.22Å
1424	G	26.2	Very low	27.6	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-12.6	-178.4	0	0	0	0	0	116.9	A1422	A1422-G1424 PolarHBondContact O-N 3.42Å; A1422-G1424 VanDerWaalsContact O-N 3.14Å
1425	I	26.2	Very low	27.4	Very low	159 Å²	159	145.4 Å²	145.4	82%	0.815	74%	0.739	S	S	*	*			trans	-125	53.1	-161.2	-41.8	-176.9	0	0	0	112.6
1426	V	23.8	Very low	27.3	Very low	109 Å²	109	150.1 Å²	150.1	66%	0.661	76%	0.755	S	S	*	*			trans	-136.6	71.6	176.6	-169.2	0	0	0	0	111.6
1427	W	26.1	Very low	26.8	Very low	225 Å²	225	152.2 Å²	152.2	85%	0.852	76%	0.763	S	S	*	*	S	Bend	trans	-159.1	33.4	160.9	-129.7	65.3	0	0	0	117.9
1428	F	24.1	Very low	26.2	Very low	180 Å²	180	150.9 Å²	150.9	79%	0.789	76%	0.764	S	S	*	*			trans	-148.7	103.4	166.6	-127.5	-86.9	0	0	0	112.7
1429	W	21.9	Very low	26	Very low	196 Å²	196	152.5 Å²	152.5	74%	0.742	77%	0.771	S	S	*	*			trans	176.7	51.4	151.9	-106.7	47	0	0	0	111.4	R185 I1382	R185-W1429 PolarHBondContact NH1-O 3.39Å; I1382-W1429 HydrophobicContact CD1-CZ2 3.62Å; I1382-W1429 HydrophobicContact CG1-CZ2 4.19Å
1430	S	21.9	Very low	25.7	Very low	78 Å²	78	154 Å²	154	55%	0.545	78%	0.775	S	S	.	*			trans	-139.8	33.8	-173.8	-161.7	0	0	0	0	118.6
1431	K	23.6	Very low	25.2	Very low	206 Å²	206	153.6 Å²	153.6	90%	0.896	77%	0.769	S	S	*	*			trans	-143.6	0	148.4	-124	166.5	-175.5	170.1	0	111.4	R185	R185-K1431 PolarHBondContact NH2-O 3.26Å; R185-K1431 PolarHBondContact NH2-OXT 3.02Å

Retrieved 1,431 of 1,431 residues in 348.6 ms (Link to these results)

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